# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2024-05-17T00:24:44+02:00 # Query: # SELECT data.* # FROM # data # WHERE # (status is null or status != 'retracted') and # (sg LIKE 'P 63/m m c' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical')) # ORDER BY file asc file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold "1000049","5.947","0.002","5.947","0.002","8.375","0.003","90","","90","","120","","256.5","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Potassium sulfate - high-temperature phase","","- K2 O4 S -","- K2 O3.998 S -","- K4 O7.996 S2 -","2","0.0833333","","Miyake, M; Morikawa, H; Iwai, S I","Structure Reinvestigation of the High-Temperature Form of K~2~ S O~4~","Acta Crystallographica B (24,1968-38,1982)","1980","36","","532","536","10.1107/S0567740880003779","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1000343","5.083","0.001","5.083","0.001","23.034","0.005","90","","90","","120","","515.4","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Trisodium dilanthanum tetracarbonate fluoride","","- C4 F La2 Na3 O12 -","- C4 F La2 Na3 O12 -","- C8 F2 La4 Na6 O24 -","2","0.0833333","","Mercier, N; Taulelle, F; Leblanc, M","Growth, structure, NMR characterization of a new fluorocarbonate Na~3~La~2~(CO~3~)~4~F","European Journal of Solid State Inorganic Chemistry","1993","30","","609","617","","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1000463","4.0755","0.0006","4.0755","0.0006","15.957","0.001","90","","90","","120","","229.5","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Lanthanum dioxide carbonate","","- C La2 O5 -","- C0.999 La2 O4.999 -","- C1.998 La4 O9.998 -","2","0.0833333","","Attfield, J. P.; Ferey, G.","Structure determination of La2 O2 C O3-II and the unusual disordered phase La2 O2.52 (C O3)0.74 Li0.52 using powder diffraction","Journal of Solid State Chemistry","1989","82","","132","138","10.1016/0022-4596(89)90232-6","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1000464","4.0852","0.0004","4.0852","0.0004","16.2211","0.0006","90","","90","","120","","234.4","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Lanthanum oxide carbonate (2/2.3/0.85)","","- C0.85 La2 O4.85 -","- C0.846 La2 O4.846 -","- C1.692 La4 O9.692 -","2","0.0833333","","Attfield, J. P.; Ferey, G.","Structure determination of La2 O2 C O3-II and the unusual disordered phase La2 O2.52 (C O3)0.74 Li0.52 using powder diffraction","Journal of Solid State Chemistry","1989","82","","132","138","10.1016/0022-4596(89)90232-6","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1000465","4.058","0.0001","4.058","0.0001","16.22189","0.0001","90","","90","","120","","231.3","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Lithium lanthanum oxide carbonate (0.52/2/2.52/0.74)","","- C0.74 La2 Li0.52 O4.74 -","- C0.741 La2 Li0.52 O4.739 -","- C1.482 La4 Li1.04 O9.478 -","2","0.0833333","","Attfield, J. P.; Ferey, G.","Structure determination of La2 O2 C O3-II and the unusual disordered phase La2 O2.52 (C O3)0.74 Li0.52 using powder diffraction","Journal of Solid State Chemistry","1989","82","","132","138","10.1016/0022-4596(89)90232-6","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1000469","7.342","0.001","7.342","0.001","22.16599","0.003","90","","90","","120","","1034.8","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Caesium niobium oxide cyclo-trisilicate (8/10/23/2)","","- Cs8 Nb10 O41 Si6 -","- Cs8 Nb10 O41.004 Si6 -","- Cs8 Nb10 O41.004 Si6 -","1","0.0416667","","Crosnier, M P; Pagnoux, C; Guyomard, D; Verbaere, A; Piffard, Y; Tournoux, M","The crystal structure of a novel cyclotrisilicate: Cs8 Nb10 O23 (Si3 O9)2. Its relationship with the pyrochlore and benitoite types","European Journal of Solid State Inorganic Chemistry","1991","28","","971","981","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001026","7.505","","7.505","","36.37","","90","","90","","120","","1774.1","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Rubidium tantalum oxide (10/29.2/78)","","- O78 Rb10 Ta29.2 -","- O78 Rb9.9996 Ta29.2 -","- O78 Rb9.9996 Ta29.2 -","1","0.0416667","","Michel, C; Guyomarch, A; Raveau, B","Nouveaux echangeurs cationiques avec une structure a tunnels entrecroises: les niobates et tantalates A~10~ M~29.2~ O~78~ et A~10~ M~29.2~ O~78~ (H~2~ O)~10~","Journal of Solid State Chemistry","1978","25","","251","261","10.1016/0022-4596(78)90110-X","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001144","5.169","","5.169","","4.222","","90","","90","","120","","97.7","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Iron germanium (3:1)","","- Fe3 Ge -","- Fe3 Ge -","- Fe6 Ge2 -","2","0.0833333","","Turbil, J P; Billiet, Y; Michel, A","Contribution a l'etude cristallographique de la phase Fe~3~ Ge de structure D O~19~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1969","269","","309","311","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001175","5.77","0.002","5.77","0.002","14.14","0.015","90","","90","","120","","407.7","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium iron(III) tungsten nonaoxide","","- Ba3 Fe2 O9 W -","- Ba3 Fe2 O9 W -","- Ba6 Fe4 O18 W2 -","2","0.0833333","","Seveque, F; Delamoye, P; Poix, P; Michel, A","Preparation et caracteres cristallographiques de l'oxyde mixte Ba~3~ Fe~2~ W O~9~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1969","269","","1536","1538","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001258","5.574","","5.574","","22.008","","90","","90","","120","","592.2","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Lanthanum manganese undecaaluminium oxide","","- Al11 La Mn O19 -","- Al11 La0.99 Mn O19 -","- Al22 La1.98 Mn2 O38 -","2","0.0833333","","Gasperin, M; Saine, M C; Kahn, A; LaVille, F; Lejus, A M","Influence of M^2+^ ions substitution on the structure of lanthanum hexaaluminates with magnetoplumbite structure","Journal of Solid State Chemistry","1984","54","","61","69","10.1016/0022-4596(84)90131-2","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001259","5.577","","5.577","","22.003","","90","","90","","120","","592.7","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Lanthanum aluminium oxide (.9/11.9/18.9)","","- Al11.95 La0.9 O18.9 -","- Al11.88 La0.9 O19 -","- Al23.76 La1.8 O38 -","2","0.0833333","","Gasperin, M; Saine, M C; LaVille, F; Lejus, A M; Kahn, A","Influence of M^2+^ ions substitution on the structure of lanthanum hexaaluminates with magnetoplumbite structure","Journal of Solid State Chemistry","1984","54","","61","69","10.1016/0022-4596(84)90131-2","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1001260","5.55","","5.55","","22.021","","90","","90","","120","","587.4","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Lanthanum aluminium oxide (.9/11.5/18.5)","","- Al11.5 La0.85 O18.5 -","- Al11.54 La0.83 O18.52 -","- Al23.08 La1.66 O37.04 -","2","0.0833333","","Gasperin, M; Saine, M C; LaVille, F; Lejus, A M; Kahn, A","Influence of M^2+^ ions substitution on the structure of lanthanum hexaaluminates with magnetoplumbite structure","Journal of Solid State Chemistry","1984","54","","61","69","10.1016/0022-4596(84)90131-2","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1001261","5.55","","5.55","","22.031","","90","","90","","120","","587.7","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Lanthanum aluminium oxide (.9/11.6/18.6)","","- Al11.55 La0.85 O18.6 -","- Al11.532 La0.85 O18.622 -","- Al23.064 La1.7 O37.244 -","2","0.0833333","","Gasperin, M; Saine, M C; LaVille, F; Lejus, A M; Kahn, A","Influence of M^2+^ ions substitution on the structure of lanthanum hexaaluminates with magnetoplumbite structure","Journal of Solid State Chemistry","1984","54","","61","69","10.1016/0022-4596(84)90131-2","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1001324","7.52","","7.52","","36.45","","90","","90","","120","","1785.1","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Silver tantalum oxide hydrate (10/29.2/78/10)","","- Ag10 H20 O88 Ta29.2 -","- Ag9.984 H29.96 O87.98 Ta29.2 -","- Ag9.984 H29.96 O87.98 Ta29.2 -","1","0.0416667","","Marini, A; Michel, C; Raveau, B","Etude du comportement des ions en insertion dans les oxydes A~10~ M~29.2~ O~78~ et A~10~ M~29.2~ O~78~ (H~2~ O)~10~","Revue de Chimie Minerale","1979","16","","73","79","","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1001325","7.532","","7.532","","36.42","","90","","90","","120","","1789.3","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Thallium niobium oxide (10/29.2/78)","","- Nb29.2 O78 Tl10 -","- Nb28.9 O78 Tl9.999 -","- Nb28.9 O78 Tl9.999 -","1","0.0416667","","Marini, A; Michel, C; Raveau, B","Etude du comportement des ions en insertion dans les oxydes A~10~ M~29.2~ O~78~ et A~10~ M~29.2~ O~78~ (H~2~ O)~10~","Revue de Chimie Minerale","1979","16","","73","79","","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001416","5.586","0.003","5.586","0.003","22.017","0.003","90","","90","","120","","595","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Lanthanum iron aluminium oxide (1/1/11/19)","","- Al11 Fe La0.96 O19 -","- Al10.99 Fe1.01 La0.965 O19 -","- Al21.98 Fe2.02 La1.93 O38 -","2","0.0833333","","Tronc, E; Laville, F; Gasperin, M; Lejus, A M; Vivien, D","Structural and Spectroscopic Investigations of La Fe Al~11~ O~19~ Compounds","Journal of Solid State Chemistry","1989","81","","192","202","10.1016/0022-4596(89)90006-6","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1001462","5.565","0.003","5.565","0.003","21.89","0.05","90","","90","","120","","587.1","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Lanthanum gadolinium magnesium aluminium oxide (.4/.5/.6/11/18.5)","","- Al11 Gd0.46 La0.43 Mg0.635 O18.46 -","- Al11.003 Gd0.462 La0.43 Mg0.635 O18.46 -","- Al22.006 Gd0.924 La0.86 Mg1.27 O36.92 -","2","0.0833333","","Salem, Y; Linares, C; Jacquier, B; Saine, M C; Gasperin, M; Lejus, A M; Vivien, D","The sites of Gd^3+^ in the luminescent matrix La~1- x~Gd~x~MgAl~11~O~19~: single crystal structure determination and site- selective excitation of Gd^3+^","Journal of Chemical Physics","1990","93","10","7076","7084","10.1063/1.459430","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1001680","5.57","","5.57","","22.00999","","90","","90","","120","","591.4","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Lanthanum nickel aluminium oxide (1/1/11/19)","","- Al11 La Ni O19 -","- Al11.01 La Ni0.99 O19 -","- Al22.02 La2 Ni1.98 O38 -","2","0.0833333","","Laville, F; Perrin, M; Lejus, A M; Gasperin, M; Moncorge, R; Vivien, D","Synthesis, crystal growth, structural determination, and optical absorption spectroscopy of the magnetoplumbite type compound La Ni Al11 O19","Journal of Solid State Chemistry","1986","65","","301","308","10.1016/0022-4596(86)90102-7","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001843","8.022","0.005","8.022","0.005","16.51299","0.009","90","","90","","120","","920.3","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Sodium trineptunium(IV) fluoride","","- F13 Na Np3 -","- F13 Na Np3 -","- F52 Na4 Np12 -","4","0.166667","","Cousson, A; Abazli, H; Pages, M; Gasperin, M","Fluorure de neptunium et de sodium: Na Np3 F13","Acta Crystallographica C (39,1983-)","1983","39","","318","320","","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1006000","5.8844","0.0006","5.8844","0.0006","23.05","0.003","90","","90","","120","","691.2","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Strontium dodecairon(III) oxide","","- Fe12 O19 Sr -","- Fe12 O19 Sr -","- Fe24 O38 Sr2 -","2","0.0833333","","Obradors, X; Solans, X; Collomb, A; Samaras, D; Rodriguez, J; Pernet, M; Font-Altaba, M","Crystal structure of strontium hexaferrite Sr Fe~12~ O~19~","Journal of Solid State Chemistry","1988","72","","218","224","10.1016/0022-4596(88)90025-4","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1006002","5.8298","0.0002","5.8298","0.0002","22.859","0.001","90","","90","","120","","672.8","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium iron(III) aluminate *","","- Al2.18 Ba Fe9.82 O19 -","- Al2.18 Ba Fe9.82 O19 -","- Al4.36 Ba2 Fe19.64 O38 -","2","0.0833333","","Sandiumenge, F; Gali, S; Rodriguez, J","X-ray profile analysis of cation distribution in Sr Al~x~ Fe~12-x~ O~19~ solid solution","Materials Research Bulletin","1988","23","","685","692","10.1016/0025-5408(88)90033-5","","","","","","0.0785","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1006003","5.7937","0.0006","5.7937","0.0006","22.763","0.001","90","","90","","120","","661.7","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium iron(III) aluminate *","","- Al4.05 Ba Fe7.95 O19 -","- Al4.05 Ba Fe7.95 O19 -","- Al8.1 Ba2 Fe15.9 O38 -","2","0.0833333","","Sandiumenge, F; Gali, S; Rodriguez, J","X-ray profile analysis of cation distribution in Sr Al~x~ Fe~12-x~ O~19~ solid solution","Materials Research Bulletin","1988","23","","685","692","10.1016/0025-5408(88)90033-5","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1006004","5.7473","0.0005","5.7473","0.0005","22.585","0.001","90","","90","","120","","646.1","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium iron(III) aluminate *","","- Al6.36 Ba Fe5.64 O19 -","- Al6.36 Ba Fe5.64 O19 -","- Al12.72 Ba2 Fe11.28 O38 -","2","0.0833333","","Sandiumenge, F; Gali, S; Rodriguez, J","X-ray profile analysis of cation distribution in Sr Al~x~ Fe~12-x~ O~19~ solid solution","Materials Research Bulletin","1988","23","","685","692","10.1016/0025-5408(88)90033-5","","","","","","0.0753","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1006005","5.6916","0.0005","5.6916","0.0005","22.403","0.001","90","","90","","120","","628.5","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium iron(III) aluminate *","","- Al8.56 Ba Fe3.44 O19 -","- Al8.56 Ba Fe3.44 O19 -","- Al17.12 Ba2 Fe6.88 O38 -","2","0.0833333","","Sandiumenge, F; Gali, S; Rodriguez, J","X-ray profile analysis of cation distribution in Sr Al~x~ Fe~12-x~ O~19~ solid solution","Materials Research Bulletin","1988","23","","685","692","10.1016/0025-5408(88)90033-5","","","","","","0.0753","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1006006","5.6286","0.0002","5.6286","0.0001","22.203","0.001","90","","90","","120","","609.2","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium iron(III) aluminate *","","- Al9.86 Ba Fe2.14 O19 -","- Al9.856 Ba Fe2.144 O19 -","- Al19.712 Ba2 Fe4.288 O38 -","2","0.0833333","","Sandiumenge, F; Gali, S; Rodriguez, J","X-ray profile analysis of cation distribution in Sr Al~x~ Fe~12-x~ O~19~ solid solution","Materials Research Bulletin","1988","23","","685","692","10.1016/0025-5408(88)90033-5","","","","","","0.843","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1006009","5.7993","0.0001","5.7993","0.0001","22.6584","0.0003","90","","90","","120","","660","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Strontium chromium gallium oxide (1/7.9/4.1/19)","","- Cr7.87 Ga4.13 O19 Sr -","- Cr7.8698 Ga4.1302 O19 Sr -","- Cr15.7396 Ga8.2604 O38 Sr2 -","2","0.0833333","","Obradors, X; Labarta, A; Isalgue, A; Tejada, J; Rodriguez, J; Pernet, M","Magnetic frustration and lattice dimensionality in Sr Cr~8~ Ga~4~ O~19~","Solid State Communications","1988","65","","189","192","10.1016/0038-1098(88)90885-X","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1006065","5.9062","0.0003","5.9062","0.0003","23.342","0.003","90","","90","","120","","705.2","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Barium iron cobalt titanium oxide (1/3.8/4.1/4.1/19)","","- Ba Co4.1 Fe3.84 O19 Ti4.06 -","- Ba Co4.1 Fe3.84 O19 Ti4.06 -","- Ba2 Co8.2 Fe7.68 O38 Ti8.12 -","2","0.0833333","","Cabanas, M V; Gonzalez-Calbet, J M; Rodriguez-Carvajal, J; Vallet-Regi, M","The solid solution BaFe~12-2x~Co~x~Ti~x~O~19~ (03.0.CO;2-V","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510590","4.886","","4.886","","9.241","","90","","90","","120","","191.054","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Au Ba Bi -","- Au Ba Bi -","- Au2 Ba2 Bi2 -","2","0.0833333","","Fornasini, M.L.; Merlo, F.; Pani, M.","R M X compounds formed by alkaline earths, europium and ytterbium - I. Ternary phases with M= Cu, Ag, Au; X= Sb, Bi","Journal of the Less-Common Metals","1990","166","","319","327","10.1016/0022-5088(90)90014-B","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1510593","4.746","","4.746","","9.298","","90","","90","","120","","181.374","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Au Ba Sb -","- Au Ba Sb -","- Au2 Ba2 Sb2 -","2","0.0833333","","Pani, M.; Fornasini, M.L.; Merlo, F.","R M X compounds formed by alkaline earths, europium and ytterbium - I. Ternary phases with M= Cu, Ag, Au; X= Sb, Bi","Journal of the Less-Common Metals","1990","166","","319","327","10.1016/0022-5088(90)90014-B","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1510602","4.795","","4.795","","8.677","","90","","90","","120","","172.774","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Au Sr Bi","","- Au Bi Sr -","- Au Bi Sr -","- Au2 Bi2 Sr2 -","2","0.0833333","","Fornasini, M.L.; Pani, M.; Merlo, F.","R M X compounds formed by alkaline earths, europium and ytterbium - I. Ternary phases with M= Cu, Ag, Au; X= Sb, Bi","Journal of the Less-Common Metals","1990","166","","319","327","10.1016/0022-5088(90)90014-B","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510617","6.161","","6.161","","5.268","","90","","90","","120","","173.172","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ba0.667 Pt3 B2","","- B2 Ba0.667 Pt3 -","- B2 Ba0.666 Pt3 -","- B4 Ba1.332 Pt6 -","2","0.0833333","","Shelton, R.N.","Superconductivity and crystal structure of a new class of ternary platinum borides","Journal of the Less-Common Metals","1978","62","","191","196","10.1016/0022-5088(78)90031-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510634","4.98","","4.98","","13.947","","90","","90","","120","","299.551","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","U3 Co7 B2","","- B2 Co7 U3 -","- B2 Co7 U3 -","- B4 Co14 U6 -","2","0.0833333","","Volovka, I.P.; Kuz'ma, Yu.B.","Crystal structure of uranium cobalt boride U3 Co7 B2","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1980","16","","1681","1683","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510663","5.078","","5.078","","14.331","","90","","90","","120","","320.031","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Dy3 Ni7 B2","","- B2 Dy3 Ni7 -","- B2 Dy3 Ni7 -","- B4 Dy6 Ni14 -","2","0.0833333","","Kuz'ma, Yu.B.; Chaban, N.F.","The crstal structure of Dy3 Ni7 B2 compound and its analogues","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Matematichni Ta Tekhnichni Nauki","1980","42","","86","89","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510673","5.043","","5.043","","14.29","","90","","90","","120","","314.732","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Er3 Ni7 B2","","- B2 Er3 Ni7 -","- B2 Er3 Ni7 -","- B4 Er6 Ni14 -","2","0.0833333","","Felner, I.","Magnetic and structural characteristics of the R3 Ni7 B2 compounds (R=rare earth)","Journal of Physics and Chemistry of Solids","1983","44","","43","48","10.1016/0022-3697(83)90028-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510713","8.565","","8.565","","8.493","","90","","90","","120","","539.568","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Hf9 Mo3 B2","","- B2 Hf9 Mo3 -","- B2 Hf9 Mo3 -","- B4 Hf18 Mo6 -","2","0.0833333","","Nowotny, H.; Rogl, P.; Benesovsky, F.","Komplexboride in den Systemen Hf-Mo-B und Hf-W-B","Monatshefte fuer Chemie (-108,1977)","1971","102","","971","984","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510714","6.161","","6.161","","5.268","","90","","90","","120","","173.172","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ba0.67 Pt3 B2","","- B2 Ba0.67 Pt3 -","- B2 Ba0.67 Pt3 -","- B4 Ba1.34 Pt6 -","2","0.0833333","","Shelton, R.N.","Superconductivity and crystal structure of a new class of ternary platinum borides","Journal of the Less-Common Metals","1978","62","","191","196","10.1016/0022-5088(78)90031-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510716","8.592","","8.592","","8.491","","90","","90","","120","","542.848","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Hf9 W3 B2","","- B2 Hf9 W3 -","- B2 Hf9 W3 -","- B4 Hf18 W6 -","2","0.0833333","","Benesovsky, F.; Nowotny, H.; Rogl, P.","Komplexboride in den Systemen Hf-Mo-B und Hf-W-B","Monatshefte fuer Chemie (-108,1977)","1971","102","","971","984","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510802","2.9","","2.9","","7.333","","90","","90","","120","","53.408","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","V0.4 Os0.6 B2","","- B2 Os0.6 V0.4 -","- B2 Os0.6 V0.4 -","- B4 Os1.2 V0.8 -","2","0.0833333","","Rogl, P.; Rudy, E.","New complex borides with Re B2- and Mo2 Ir B2-type structure","Journal of Solid State Chemistry","1978","24","","175","181","10.1016/0022-4596(78)90007-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510852","2.9831","","2.9831","","13.879","","90","","90","","120","","106.961","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","W B2.0","","- B2 W -","- B2 W -","- B8 W4 -","4","0.166667","","Lundstroem, T.","The structure of Ru2 B3 and W B2.0, as determined by single-crystal diffractometry, and some notes on the W - B system","Arkiv foer Kemi","1969","30","","115","127","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510894","3.89","","3.89","","15.387","","90","","90","","120","","201.643","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Pr2 B3 Cl","","- B3 Cl Pr2 -","- B3 Cl Pr2 -","- B6 Cl2 Pr4 -","2","0.0833333","","Oeckler, O.; Mattausch, H. J.; Simon, A.","Dipraseodymiummonochloridtriborid - Pr2 Cl B3","37th IUPAC Congress","1998","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","274692","2022-04-26","15:34:10","" "1510896","5.4","","5.4","","15.151","","90","","90","","120","","382.613","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ho2.51 Co B3","","- B3 Co Ho2.51 -","- B3 Co Ho2.5085 -","- B12 Co4 Ho10.034 -","4","0.166667","","Kuz'ma, Yu.B.; Zavalii, P.Yu.; Pidgaetskaya, G.M.; Gubich, I.B.","Ho-Co-B system and crystal structure of Ho2+x Co B3 compound.","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1992","28","","1397","1401","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510935","5.2646","","5.2646","","6.121","","90","","90","","120","","146.921","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Mo0.91 B3","","- B3 Mo0.91 -","- B3 Mo0.91 -","- B12 Mo3.64 -","4","0.166667","","Aselage, T.L.; Morosin, B.; Kwei, G.H.; Lawson, A.C.jr.; Klesnar, H.","The diboride compounds of molybdenum: Mo B2-x and Mo2 B5-y","Journal of Alloys Compd.","1996","241","","180","186","10.1016/0925-8388(96)02294-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510951","5.083","","5.083","","5.095","","90","","90","","120","","114.003","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","U Re B3","","- B3 Re U -","- B3 Re U -","- B6 Re2 U2 -","2","0.0833333","","Kuz'ma, Yu.B.; Aksel'rud, L.G.; Vol'kova, I.P.","The new boride U Re B3 and its crystal structure","Doklady Akademii Nauk Ukrainskoi SSR, Serie B: Geol.Khim.Biol., Nauki","1987","1987","","34","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510952","2.9051","","2.9051","","12.8125","","90","","90","","120","","93.645","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Ru2 B3","","- B3 Ru2 -","- B3 Ru2 -","- B6 Ru4 -","2","0.0833333","","Lundstroem, T.","The structure of Ru2 B3 and W B2.0, as determined by single-crystal diffractometry, and some notes on the W - B system","Arkiv foer Kemi","1968","30","","115","127","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510975","5.06","","5.06","","20.43","","90","","90","","120","","453.002","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ce2 Co5 B2","","- B2 Ce2 Co5 -","- B2 Ce2 Co5 -","- B8 Ce8 Co20 -","4","0.166667","","Kuz'ma, Yu.B.","Crystal structure of Ce2 Co5 B2 compound","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Matematichni Ta Tekhnichni Nauki","1979","41","","146","151","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1511089","3.793","","3.793","","8.847","","90","","90","","120","","110.228","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Dy B O3","","- B Dy O3 -","- B0.9999 Dy O2.9999 -","- B1.9998 Dy2 O5.9998 -","2","0.0833333","","Newnham, R.E.; Santoro, R.P.; Redman, M.J.","Crystal structure of yttrium and other rare-earth borates","Journal of the American Ceramic Society","1963","46","","253","256","10.1111/j.1151-2916.1963.tb11721.x","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511097","3.767","","3.767","","8.807","","90","","90","","120","","108.231","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Er B O3","","- B Er O3 -","- B0.9999 Er O2.9999 -","- B1.9998 Er2 O5.9998 -","2","0.0833333","","Santoro, R.P.; Redman, M.J.; Newnham, R.E.","Crystal structure of yttrium and other rare-earth borates","Journal of the American Ceramic Society","1963","46","","253","256","10.1111/j.1151-2916.1963.tb11721.x","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511112","3.842","","3.842","","8.937","","90","","90","","120","","114.245","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Eu B O3","","- B Eu O3 -","- B0.9999 Eu O2.9999 -","- B1.9998 Eu2 O5.9998 -","2","0.0833333","","Newnham, R.E.; Santoro, R.P.; Redman, M.J.","Crystal structure of yttrium and other rare-earth borates","Journal of the American Ceramic Society","1963","46","","253","256","10.1111/j.1151-2916.1963.tb11721.x","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511164","3.839","","3.839","","8.906","","90","","90","","120","","113.671","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Gd B O3","","- B Gd O3 -","- B0.9999 Gd O2.9999 -","- B1.9998 Gd2 O5.9998 -","2","0.0833333","","Newnham, R.E.; Redman, M.J.; Santoro, R.P.","Crystal structur:0of yttrium and othe:0rare-earth borates","Journal of the American Ceramic Society","1963","46","","253","256","10.1111/j.1151-2916.1963.tb11721.x","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511180","8.565","","8.565","","8.493","","90","","90","","120","","539.568","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Hf9 Mo4 B","","- B Hf9 Mo4 -","- B Hf9 Mo4 -","- B2 Hf18 Mo8 -","2","0.0833333","","Nowotny, H.; Rogl, P.; Benesovsky, F.","Neue K-Boride und verwandte Phasen (Re3B-Typ, aufgefuellt)","Monatshefte fuer Chemie (-108,1977)","1973","104","","182","193","10.1007/BF00911159","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511181","3.784","","3.784","","8.836","","90","","90","","120","","109.569","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ho B O3","","- B Ho O3 -","- B0.9999 Ho O2.9999 -","- B1.9998 Ho2 O5.9998 -","2","0.0833333","","Redman, M.J.; Newnham, R.E.; Santoro, R.P.","Crystal structure of yttrium and other rate-earth borates","Journal of the American Ceramic Society","1963","46","","253","256","10.1111/j.1151-2916.1963.tb11721.x","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511228","3.727","","3.727","","8.722","","90","","90","","120","","104.922","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Lu B O3","","- B Lu O3 -","- B0.9999 Lu O2.9999 -","- B1.9998 Lu2 O5.9998 -","2","0.0833333","","Newnham, R.E.; Santoro, R.P.; Redman, M.J.","Crystal structure of yttrium and other rare-earth borates","Journal of the American Ceramic Society","1963","46","","253","256","10.1111/j.1151-2916.1963.tb11721.x","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511235","3.54453","","3.54453","","16.03529","","90","","90","","120","","174.472","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Mg3 B N3","","- B Mg3 N3 -","- B Mg3 N3 -","- B2 Mg6 N6 -","2","0.0833333","","Hashizume, H.; Sudo, N.; Carvalho, C.A.M.","Determination of Mg3 B N3 structure from powder diffraction data by entropy maximization","Research Laboratory on Engineering Materials, Tokyo Institute of Technology: Report","1994","19","","29","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511278","3.862","","3.862","","8.978","","90","","90","","120","","115.967","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Sm (B O3)","","- B O3 Sm -","- B0.9999 O2.9999 Sm -","- B1.9998 O5.9998 Sm2 -","2","0.0833333","","Santoro, R.P.; Newnham, R.E.; Redman, M.J.","Crystal structure of yttrium and other rare-earth borates","Journal of the American Ceramic Society","1963","46","","253","256","10.1111/j.1151-2916.1963.tb11721.x","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511280","3.78","","3.78","","8.81","","90","","90","","120","","109.016","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Tm B O3","","- B O3 Tm -","- B0.9999 O2.9999 Tm -","- B1.9998 O5.9998 Tm2 -","2","0.0833333","","Newnham, R.E.; Redman, M.J.; Santoro, R.P.","Crystal structure of yttrium and other rare-earth borates","Journal of the American Ceramic Society","1963","46","","253","256","10.1111/j.1151-2916.1963.tb11721.x","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511282","3.778","","3.778","","8.814","","90","","90","","120","","108.95","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Y (B O3)","","- B O3 Y -","- B0.9999 O2.9999 Y -","- B1.9998 O5.9998 Y2 -","2","0.0833333","","Newnham, R.E.; Redman, M.J.; Santoro, R.P.","Crystal structure of yttrium and other rare-earth borates","Journal of the American Ceramic Society","1963","46","","253","256","10.1111/j.1151-2916.1963.tb11721.x","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511287","3.735","","3.735","","8.747","","90","","90","","120","","105.675","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Yb B O3","","- B O3 Yb -","- B0.9999 O2.9999 Yb -","- B1.9998 O5.9998 Yb2 -","2","0.0833333","","Newnham, R.E.; Redman, M.J.; Santoro, R.P.","Crystal structure of yttrium and other rare-earth borates","Journal of the American Ceramic Society","1963","46","","253","256","10.1111/j.1151-2916.1963.tb11721.x","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511304","3.358","","3.358","","4.058","","90","","90","","120","","39.628","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Pt B","","- B Pt -","- B Pt -","- B2 Pt2 -","2","0.0833333","","Stenberg, E.; Aselius, J.; Aronsson, B.","Borides of Rhenium and the Platinum Metals. The Crystal Structures of Re7 B3, Re B3, Rh7 B3, Rh B1.1, Ir B1.1 and Pt B","Acta Chemica Scandinavica (1-27,1973-42,1988)","1960","14","","733","741","10.3891/acta.chem.scand.14-0733","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511321","5.6001","","5.6001","","13.675","","90","","90","","120","","371.407","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Sn4 Rh6 B","","- B Rh6 Sn4 -","- B Rh6 Sn4 -","- B2 Rh12 Sn8 -","2","0.0833333","","Jung, W.; Kluenter, W.","Die Zinn-Rhodiumboride Sn Rh3 B1-x, Sn4 Rh6 B und Sn5 Rh6 B2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","2099","2106","10.1002/zaac.19966221218","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511336","3.309","","3.309","","4.224","","90","","90","","120","","40.054","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Rh B1.1","","- B1.1 Rh -","- B Rh0.909 -","- B2 Rh1.818 -","2","0.0833333","","Aronsson, B.; Aselius, J.; Stenberg, E.","Borides of Rhenium and the Platinum Metals. The Crystal Structures of Re7 B3, Re B3, Rh7 B3, Rh B1.1, Ir B1.1 and Pt B","Acta Chemica Scandinavica (1-27,1973-42,1988)","1960","14","","733","741","10.3891/acta.chem.scand.14-0733","","","","","","","","","","","","","","","","","","","","","has coordinates","176343","2020-10-21","18:00:00","" "1511346","4.0201","","4.0201","","2.7937","","90","","90","","120","","39.101","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Li B0.88","","- B0.88 Li -","- B0.88 Li -","- B1.76 Li2 -","2","0.0833333","","Nesper, R.; Woerle, M.","Infinite, linear, unbranched borynide chains in LiBx isoelectronic to polyyne and polycumulene","Angew. Chem. Int. ed.","2000","39","","2349","2353","10.1002/1521-3773(20000703)39:13<2349::AID-ANIE2349>3.0.CO;2-U","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511390","5.2033","","5.2033","","6.3498","","90","","90","","120","","148.884","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Mo3.46 B12","","- B12 Mo3.46 -","- B12 Mo3.46 -","- B12 Mo3.46 -","1","0.0416667","","Lundstroem, T.; Rosenberg, I.","The crystal structure of the molybdenum boride Mo1-x B3","Journal of Solid State Chemistry","1973","6","","299","305","10.1016/0022-4596(73)90194-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1511510","3.3058","","3.3058","","20.394","","90","","90","","120","","193.013","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Rh5 B4","","- B4 Rh5 -","- B4 Rh5 -","- B8 Rh10 -","2","0.0833333","","Westman, I.; Nolaeng, B.I.; Tergenius, L.E.","The crystal structure of Rh5 B4","Journal of the Less-Common Metals","1981","82","","303","308","10.1016/0022-5088(81)90232-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1514084","3.142","","3.142","","7.65","","90","","90","","120","","65.404","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Dilithium Peroxide","","- Li2 O2 -","- Li2 O2 -","- Li4 O4 -","2","0.0833333","","Föppl, H.","Die Kristallstrukturen der Alkaliperoxyde","Zeitschrift für anorganische und allgemeine Chemie","1957","291","1-4","12","50","10.1002/zaac.19572910104","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00","" "1514085","3.1525","","3.1525","","3.855","","90","","90","","120","","33.179","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Lithium Peroxide","","- Li2 O2 -","- Li2 O2 -","- Li4 O4 -","2","0.0833333","","Cota, L. G.; de la Mora, P.","On the structure of lithium peroxide","Chemische Berichte","1953","86","","1429","1437","10.1002/cber.19530861111","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00","" "1514089","3.164","","3.164","","7.724","","90","","90","","120","","66.965","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Dilithium Peroxide","","- Li2 O2 -","- Li2 O2 -","- Li4 O4 -","2","0.0833333","","Zhuravlev, Yu. N.; Obolonskaya, O. S.","Structure, mechanical stability and chemical bond in alkali metal oxides","Journal of Structural Chemistry (USSR) (= Zhurnal Strukturnoi Khimii)","2010","51","6","1005","1013","10.1007/s10947-010-0157-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00","" "1517115","22.4102","","22.4102","","6.0735","","90","","90","","120","","2641.56","","","","","","","","","","","","see text","4","P 63/m m c","-P 6c 2c","194","","","","- C6 H4 B O -","- C6 H4 B O -","- C72 H48 B12 O12 -","12","0.5","","Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas","On the reticular construction concept of covalent organic frameworks.","Beilstein journal of nanotechnology","2010","1","","60","70","10.3762/bjnano.1.8","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1517116","22.3206","","22.3206","","5.9366","","90","","90","","120","","2561.42","","","","","","","","","","","","see text","4","P 63/m m c","-P 6c 2c","194","","","","- C8 H4 B O -","- C8 H4 B O -","- C96 H48 B12 O12 -","12","0.5","","Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas","On the reticular construction concept of covalent organic frameworks.","Beilstein journal of nanotechnology","2010","1","","60","70","10.3762/bjnano.1.8","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1518038","7.504","0.004","7.504","0.004","15.008","0.007","90","","90","","120","","731.9","0.6","","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- F22 O2 Pb Zr6 -","- F22 O2 Pb Zr6 -","- F44 O4 Pb2 Zr12 -","2","0.0833333","","Laval, Jean-Paul; Frit, Bernard","Structure cristalline de PbZr6F22O2. Relations structurales avec KY3F10, KHo2F7, CsU6F25 et le type fluorine","Revue de Chimie Minerale","1983","20","","368","384","","","x-ray","0.71069","MoKα","","","0.028","","","0.0286","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1518221","6.239","0.005","6.239","0.005","25.27","0.01","90","","90","","120","","851.9","1","","","300","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ca Cs5 F15 Ni4 -","- Ca Cs5 F15 Ni4 -","- Ca2 Cs10 F30 Ni8 -","2","0.0833333","","Tressaud, Alain; Demortain, Genevieve; Bouree-Vigneron, Francoise; Darriet, Jacques","Substitutions cationiques et interactions magnetiques dans les perovskites hexagonales fluorees. IV. Les systemes CsNi(1-x)CaxF3 et Cs(1-x)RbxNi(1-x)CaxF3 avec 0<=x<=1","Revue de Chimie Minerale","1987","24","","621","630","","","neutron","1.066","","","","","","","","","","4.2","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1520829","3.07378","","3.07378","","17.6803","","90","","90","","120","","144.666","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ti3 Si C2","","- C2 Si Ti3 -","- C2 Si Ti3 -","- C4 Si2 Ti6 -","2","0.0833333","","Barsoum, M.W.; El-Raghy, T.; Hubbard, C.R.; Rawn, C.J.; Porter, W.D.; Wang, H.; Payzant, E.A.","Thermal properties of Ti3 Si C2","Journal of Physics and Chemistry of Solids","1999","60","","429","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1520975","4.38","","4.38","","5.725","","90","","90","","120","","95.116","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Fe0.67 Zn1.33 Sb2","","- Fe0.67 Sb2 Zn1.33 -","- Fe0.66 Sb2 Zn1.34 -","- Fe0.66 Sb2 Zn1.34 -","1","0.0416667","","Chumak, I.V.; Pavlyuk, V.V.; Dmytriv, G.S.; Stepien-Damm, Yu.","Phase equilibria and crystal structure of compounds in the Fe - Zn - Sb system at 570 K","Journal of Alloys Compd.","2000","307","","223","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","140585","2020-10-21","18:00:00","" "1521054","4.048","","4.048","","21.466","","90","","90","","120","","304.623","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ca2 Cu Zn2 P3","","- Ca2 Cu P3 Zn2 -","- Ca2 Cu P3 Zn2 -","- Ca4 Cu2 P6 Zn4 -","2","0.0833333","","Frik, L.; Mewis, A.","Stapelvarianten aus Sr Pt Sb - und Ca Al2 Si2 - analogen Baubloecken","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","126","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1521055","4.041","","4.041","","37.06","","90","","90","","120","","524.1","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ca4 Cu3 Zn2 P5","","- Ca4 Cu3 P5 Zn2 -","- Ca4 Cu3 P5 Zn2 -","- Ca8 Cu6 P10 Zn4 -","2","0.0833333","","Frik, L.; Mewis, A.","Stapelvarianten aus Sr Pt Sb - und Ca Al2 Si2 - analogen Baubloecken","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","126","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","140688","2020-10-21","18:00:00","" "1521072","5.4448","","5.4448","","8.8915","","90","","90","","120","","228.281","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ce (Mn1.5 Al0.5) D0.086","","- Al0.5 Ce D0.086 Mn1.5 -","- Al0.49985 Ce D0.0864 Mn1.49995 -","- Al1.9994 Ce4 D0.3456 Mn5.9998 -","4","0.166667","","Gross, K.J.; Chartouni, D.; Fauth, F.","A new hexagonal Laves phase deuteride Ce Mn1.5 Al0.5 Dx (03 showing switchable dielectric behaviour, conductivity and bright yellow-green emission.","Chemical communications (Cambridge, England)","2018","54","34","4321","4324","10.1039/c8cc00786a","","","0.71073","MoKα","","0.0461","0.0323","","","0.074","0.0792","","","","","","1.074","","","","has coordinates,has disorder","228584","2020-10-21","18:00:00","" "1550919","18.9995","0.0007","18.9995","0.0007","31.8469","0.0013","90","","90","","120","","9955.9","0.7","100","","100","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C3 H9 O4 S20 Sn10 -","- C3 H9 O4 S20 Sn10 -","- C12 H36 O16 S80 Sn40 -","4","0.166667","","Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal","Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles","Chemical Science","2019","","","","","10.1039/C9SC01358J","","","1.54186","CuKα","","0.1119","0.0632","","","0.1921","0.2127","","","","","","0.833","","","","has coordinates","214716","2020-10-21","18:00:00","" "1552054","22.2055","0.0011","22.2055","0.0011","33.1729","0.0017","90","","90","","120","","14165.6","1.2","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C162 H90 O47 Y9 -","- C162 H90 O47 Y9 -","- C324 H180 O94 Y18 -","2","0.0833333","","Vincent Guillerm; Lukasz J. Weselinski; Youssef Belmabkhout; Amy J. Cairns; Valerio D Elia; Lukasz Wojtas; Karim Adil; Mohamed Eddaoudi","Discovery and introduction of a (3,18)-connected net as an ideal blueprint for the design of metal-organic frameworks","Nature Chemistry","2014","6","","673","680","10.1038/nchem.1982","","","1.54178","CuKα","","0.1102","0.0735","","","0.1998","0.2153","","","","","","0.978","","","","has coordinates,has disorder","216872","2020-10-21","18:00:00","" "1552055","37.1384","0.0013","37.1384","0.0013","74.478","0.004","90","","90","","120","","88962","6","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C72 H35 Cu3 N O15 -","- C72.5 H35 Cu3 N O15 -","- C870 H420 Cu36 N12 O180 -","12","0.5","","Vincent Guillerm; Lukasz J. Weselinski; Youssef Belmabkhout; Amy J. Cairns; Valerio D Elia; Lukasz Wojtas; Karim Adil; Mohamed Eddaoudi","Discovery and introduction of a (3,18)-connected net as an ideal blueprint for the design of metal-organic frameworks","Nature Chemistry","2014","6","","673","680","10.1038/nchem.1982","","","1.54178","CuKα","","0.0969","0.0638","","","0.1697","0.1846","","","","","","1.02","","","","has coordinates,has disorder","216873","2020-10-21","18:00:00","" "1553688","18.4455","0.0006","18.4455","0.0006","26.4268","0.0005","90","","90","","120","","7786.7","0.4","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C27 H18 Cu2 O11 -","- C28 H15 Cu2 O11 -","- C168 H90 Cu12 O66 -","6","0.25","","Chen, Fengli; Bai, Dongjie; Wang, Yao; Jiang, Donghao; He, Yabing","A family of ssa-type copper-based MOFs constructed from unsymmetrical diisophthalates: synthesis, characterization and selective gas adsorption","Materials Chemistry Frontiers","2017","1","11","2283","","10.1039/C7QM00302A","","","1.54184","CuKα","","0.1875","0.1593","","","0.5094","0.5563","","","","","","1.03","","","","has coordinates","235898","2020-10-21","18:00:00","" "1553689","18.2664","0.0005","18.2664","0.0005","26.5488","0.0006","90","","90","","120","","7671.5","0.3","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C28 H20 Cu2 O11 -","- C28.5 H11 Cu2 O11 -","- C171 H66 Cu12 O66 -","6","0.25","","Chen, Fengli; Bai, Dongjie; Wang, Yao; Jiang, Donghao; He, Yabing","A family of ssa-type copper-based MOFs constructed from unsymmetrical diisophthalates: synthesis, characterization and selective gas adsorption","Materials Chemistry Frontiers","2017","1","11","2283","","10.1039/C7QM00302A","","","1.54178","CuKα","","0.1928","0.151","","","0.4674","0.4955","","","","","","1.643","","","","has coordinates,has disorder","235898","2020-10-21","18:00:00","" "1553690","18.315","0.0007","18.315","0.0007","26.7665","0.0014","90","","90","","120","","7775.6","0.6","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C38 H48 Cu2 N4 O16 -","- C26 H12 Cu2 O10 -","- C156 H72 Cu12 O60 -","6","0.25","","Chen, Fengli; Bai, Dongjie; Wang, Yao; Jiang, Donghao; He, Yabing","A family of ssa-type copper-based MOFs constructed from unsymmetrical diisophthalates: synthesis, characterization and selective gas adsorption","Materials Chemistry Frontiers","2017","1","11","2283","","10.1039/C7QM00302A","","","1.54184","CuKα","","0.1969","0.1205","","","0.3686","0.4127","","","","","","1.103","","","","has coordinates","235898","2020-10-21","18:00:00","" "1557390","3.2783","0.0001","3.2783","0.0001","21.6674","0.0007","90","","90","","120","","201.667","0.011","","","298","","","","100","","","","","4","P 63/m m c","-P 6c 2c","194","[Al4.4Si0.6][O1.0C2.0]C","","","- C3 Al4.4 O Si0.6 -","- C2.996 Al5 O1.004 -","- C5.992 Al10 O2.008 -","2","0.0833333","","Kaga, M.; Iwata, T.; Nakano, H.; Fukuda, K.","Synthesis and structural characterization of Al4SiC4-homeotypic aluminum silicon oxycarbide, [Al4.4Si0.6][O1.0C2.0]C","Journal of Solid State Chemistry","2010","183","","636","642","10.1016/j.jssc.2010.01.012","","","","","","","","","","","","","","","","","","","","","has coordinates","248493","2020-10-21","18:00:00","" "1557936","13.2357","0.0005","13.2357","0.0005","15.0652","0.0006","90","","90","","120","","2285.6","0.15","","","298","","","","100","","","","","7","P 63/m m c","-P 6c 2c","194","(Na5.38K1.99Mg0.24)[Al7.66Si28.34O72.09]29.83H2O","","erionite-Na","- Al7.66 H59.66 K1.99 Mg0.24 Na5.38 O101.92 Si28.34 -","- Al7.56 K2 Mg0.448 Na4.984 O103.146 Si28.44 -","- Al7.56 K2 Mg0.448 Na4.984 O103.146 Si28.44 -","1","0.0416667","","Cametti, G.; Pacella, A.; Mura, F.; Rossi, M.; Ballirano, P.","New morphological, chemical, and structural data of wooly erionite-Na from Durkee, Oregon, U.S.A.","American Mineralogist","2013","98","","2155","2163","10.2138/am.2013.4474","","","","","","","","","","","","","","","","","","","","","has coordinates","251210","2020-10-21","18:00:00","" "1560768","6.6713","0.0002","6.6713","0.0002","9.2849","0.0002","90","","90","","120","","357.873","0.017","296","2","296.15","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","barlowite","","- Br Cu4 D6 F O6 -","- Br Cu3.9999 D6 F O6 -","- Br2 Cu7.9998 D12 F2 O12 -","2","0.0833333","","Smaha, Rebecca W.; He, Wei; Sheckelton, John P.; Wen, Jiajia; Lee, Young S.","Synthesis-dependent properties of barlowite and Zn-substituted barlowite","Journal of Solid State Chemistry","2018","268","","123","129","10.1016/j.jssc.2018.08.016","","","0.41328","synchrotron","","0.0133","0.0133","","","0.0345","0.0345","","","","","","1.173","","","","has coordinates,has disorder","262382","2021-03-03","08:12:39","" "1560769","6.6704","0.0002","6.6704","0.0002","9.2864","0.0002","90","","90","","120","","357.834","0.017","296","2","296.15","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","barlowite","","- Br Cu4 F H6 O6 -","- Br Cu3.9999 F H6 O6 -","- Br2 Cu7.9998 F2 H12 O12 -","2","0.0833333","","Smaha, Rebecca W.; He, Wei; Sheckelton, John P.; Wen, Jiajia; Lee, Young S.","Synthesis-dependent properties of barlowite and Zn-substituted barlowite","Journal of Solid State Chemistry","2018","268","","123","129","10.1016/j.jssc.2018.08.016","","","0.41328","synchrotron","","0.0207","0.0207","","","0.0456","0.0456","","","","","","1.234","","","","has coordinates,has disorder","262382","2021-03-03","08:12:39","" "1560770","6.67592","0.000031","6.67592","0.000031","9.322265","0.000014","90","","90","","120","","359.811","0.002","298","","295","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Zn-substituted barlowite","","- Br Cu3 F O6 Zn -","- Br Cu3 F O6 Zn -","- Br2 Cu6 F2 O12 Zn2 -","2","0.0833333","","Smaha, Rebecca W.; He, Wei; Sheckelton, John P.; Wen, Jiajia; Lee, Young S.","Synthesis-dependent properties of barlowite and Zn-substituted barlowite","Journal of Solid State Chemistry","2018","268","","123","129","10.1016/j.jssc.2018.08.016","powder diffraction","","0.41273","synchrotron","","","","","","","","","","1.951","","","","","","","has coordinates","262382","2021-03-03","08:12:39","" "1560771","6.668","0.0004","6.668","0.0004","9.3036","0.0006","90","","90","","120","","358.24","0.04","296","2","296.15","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- Br Cu3.67 F H6 O6 Zn0.34 -","- Br Cu3.6666 F H6 O6 Zn0.3333 -","- Br2 Cu7.3332 F2 H12 O12 Zn0.6666 -","2","0.0833333","","Smaha, Rebecca W.; He, Wei; Sheckelton, John P.; Wen, Jiajia; Lee, Young S.","Synthesis-dependent properties of barlowite and Zn-substituted barlowite","Journal of Solid State Chemistry","2018","268","","123","129","10.1016/j.jssc.2018.08.016","","","0.41328","synchrotron","","0.0349","0.0328","","","0.0771","0.0786","","","","","","1.155","","","","has coordinates,has disorder","262382","2021-03-03","08:12:39","" "1561236","8.63","0.001","8.63","0.001","8.914","0.001","90","","90","","120","","574.94","0.11","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","kappa-Ag2Mg5","","","- Ag1.945 Mg5.055 -","- Ag1.945 Mg5.055 -","- Ag7.78 Mg20.22 -","4","0.166667","","Castro, Facundo J.; Primo, Gastón A.; Urretavizcaya, Guillermina","Crystal structure of κ-Ag2Mg5","Journal of Solid State Chemistry","2018","258","","243","246","10.1016/j.jssc.2017.10.019","powder diffraction","","","X-ray","","","","","","","","","3.69","","","","","","","","has coordinates","263308","2021-03-25","08:19:30","" "1561383","4.4233","0.0009","4.4233","0.0009","17.601","0.007","90","","90","","120","","298.24","0.15","295","2","295","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ca Ga1.14 Sn0.86 -","- Ca Ga1.14 Sn0.86 -","- Ca4 Ga4.56 Sn3.44 -","4","0.166667","","Tillard, Monique","A phase width for CaGaSn. Crystal structure of mixed intermetallic Ca4Ga4+xSn4−x and SmGaxSn3−x, stability, geometry and electronic structure","Journal of Solid State Chemistry","2016","242","","63","70","10.1016/j.jssc.2016.07.018","","","0.71069","MoKα","","0.0673","0.0419","","","0.1042","0.1142","","","","","","1.183","","","","has coordinates","263484","2021-03-31","08:41:12","" "1561394","5.88617","0.00005","5.88617","0.00005","23.0542","0.0003","90","","90","","120","","691.745","0.012","293","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Fe12 O19 Sr -","- Fe11.9998 O18.9996 Sr -","- Fe23.9995 O37.9992 Sr2 -","2","0.0833333","","Lepoittevin, Christophe","Structure resolution by electron diffraction tomography of the complex layered iron-rich Fe-2234-type Sr5Fe6O15.4","Journal of Solid State Chemistry","2016","242","","228","235","10.1016/j.jssc.2016.08.004","powder diffraction","","1.54056","CuKα","","","","","","","","","15.776","","","","","","","","has coordinates","263489","2021-03-31","09:33:53","" "1562186","4.3227","0.0005","4.3227","0.0005","16.485","0.003","90","","90","","120","","266.77","0.07","293","2","293","0.2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ga9.93 Pr1.42 Pt4 -","- Ga9.932 Pr1.416 Pt4 -","- Ga9.932 Pr1.416 Pt4 -","1","0.0416667","","Doan Nguyen, Sau; Ryan, Kevin; Chai, Ping; Shatruk, Michael; Xin, Yan; Chapman, Karena W.; Chupas, Peter J.; Fronczek, Frank R.; Macaluso, Robin T.","Pr1.33Pt4Ga10: Superstructure and magnetism","Journal of Solid State Chemistry","2014","220","","9","16","10.1016/j.jssc.2014.07.033","","","0.71073","MoKα","","0.0388","0.0332","","","0.0776","0.0812","","","","","","1.144","","","","has coordinates","264622","2021-04-28","07:28:20","" "1562847","5.1337","","5.1337","","8.2078","","90","","90","","120","","187.335","","293","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al0.9 Ni1.1 Sc -","- Al0.9 Ni1.1 Sc -","- Al3.6 Ni4.4 Sc4 -","4","0.166667","","Sahlberg, Martin; Ångström, Jonas; Zlotea, Claudia; Beran, Premysl; Latroche, Michel; Pay Gómez, Cesar","Structure and hydrogen storage properties of the hexagonal Laves phase Sc(Al1−xNix)2","Journal of Solid State Chemistry","2012","196","","132","137","10.1016/j.jssc.2012.06.002","","x-ray","0.71073","","","0.0131","0.0125","","","0.0476","0.0477","","","","1.86","1.86","1.83","","","","has coordinates","265483","2021-05-25","09:41:04","" "1562848","5.1682","","5.1682","","8.2865","","90","","90","","120","","191.682","","293","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Al0.686 D0.387 Ni1.314 Sc -","- Al0.687 D0.39 Ni1.313 Sc -","- Al2.748 D1.56 Ni5.252 Sc4 -","4","0.166667","","Sahlberg, Martin; Ångström, Jonas; Zlotea, Claudia; Beran, Premysl; Latroche, Michel; Pay Gómez, Cesar","Structure and hydrogen storage properties of the hexagonal Laves phase Sc(Al1−xNix)2","Journal of Solid State Chemistry","2012","196","","132","137","10.1016/j.jssc.2012.06.002","powder diffraction","neutron","1.45945","","","","","","","","","","","","","","","","","","has coordinates","265483","2021-05-25","09:41:05","" "1562944","7.4312","0.0001","7.4312","0.0001","6.2023","0.0001","90","","90","","120","","296.621","0.007","100","2","100","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","Cesium Nickel Bromide","","","- Br3 Cs Ni -","- Br3 Cs Ni -","- Br6 Cs2 Ni2 -","2","0.0833333","","Raw, Adam D.; Ibers, James A.; Poeppelmeier, Kenneth R.","Syntheses and structure of hydrothermally prepared CsNiX3 (X=Cl, Br, I)","Journal of Solid State Chemistry","2012","192","","34","37","10.1016/j.jssc.2012.03.037","","","0.71073","MoKα","","0.0167","0.0167","","","0.0435","0.0435","","","","","","1.901","","","","has coordinates","265577","2021-05-28","08:34:19","" "1562945","7.1185","0.0002","7.1185","0.0002","5.9085","0.0001","90","","90","","120","","259.289","0.011","100","2","100","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","Cesium Nickel Chloride","","","- Cl3 Cs Ni -","- Cl3 Cs Ni -","- Cl6 Cs2 Ni2 -","2","0.0833333","","Raw, Adam D.; Ibers, James A.; Poeppelmeier, Kenneth R.","Syntheses and structure of hydrothermally prepared CsNiX3 (X=Cl, Br, I)","Journal of Solid State Chemistry","2012","192","","34","37","10.1016/j.jssc.2012.03.037","","","0.71073","MoKα","","0.0111","0.0104","","","0.0266","0.0267","","","","","","1.681","","","","has coordinates","265577","2021-05-28","08:34:23","" "1562946","7.9469","0.0002","7.9469","0.0002","6.6575","0.0002","90","","90","","120","","364.114","0.017","100","2","100","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","Cesium nickel iodide","","","- Cs I3 Ni -","- Cs I3 Ni -","- Cs2 I6 Ni2 -","2","0.0833333","","Raw, Adam D.; Ibers, James A.; Poeppelmeier, Kenneth R.","Syntheses and structure of hydrothermally prepared CsNiX3 (X=Cl, Br, I)","Journal of Solid State Chemistry","2012","192","","34","37","10.1016/j.jssc.2012.03.037","","","0.71073","MoKα","","0.0106","0.0105","","","0.0358","0.0358","","","","","","3.116","","","","has coordinates","265577","2021-05-28","08:34:27","" "1562973","5.9998","0.0004","5.9998","0.0004","14.3053","0.0014","90","","90","","120","","445.97","0.06","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- K3 Na O9 Os2 -","- K3 Na O9 Os2 -","- K6 Na2 O18 Os4 -","2","0.0833333","","Mogare, Kailash M.; Klein, Wilhelm; Jansen, Martin","K2NaOsO5.5 and K3NaOs2O9: The first osmium perovskites containing alkali cations at the “A” site","Journal of Solid State Chemistry","2012","191","","153","157","10.1016/j.jssc.2012.03.012","","","0.71073","MoKα","","0.0304","0.0285","","","0.0536","0.0542","","","","","","1.357","","","","has coordinates,has Fobs","265622","2021-05-31","07:16:50","" "1563211","3.22508","0.00004","3.22508","0.00004","31.7193","0.0004","90","","90","","120","","285.716","0.006","298","","298","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Aluminum silicon oxycarbonitride","","- C3.46 Al5.82 N1.5 O1.04 Si1.18 -","- C3.48 Al5.824 N1.5 O1.02 Si1.176 -","- C6.96 Al11.648 N3 O2.04 Si2.352 -","2","0.0833333","","Urushihara, Daisuke; Kaga, Motoaki; Asaka, Toru; Nakano, Hiromi; Fukuda, Koichiro","Synthesis and structural characterization of Al7C3N3-homeotypic aluminum silicon oxycarbonitride, (Al7−xSix)(OyCzN6−y−z) (x∼1.2, y∼1.0 and z∼3.5)","Journal of Solid State Chemistry","2011","184","8","2278","2284","10.1016/j.jssc.2011.06.030","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","266257","2021-06-08","07:52:59","" "1563256","2.95982","0.00008","2.95982","0.00008","11.1903","0.0007","90","","90","","120","","84.899","0.006","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Cr0.43 Na0.35 O Sb0.08 -","- Cr0.425 Na0.35 O Sb0.075 -","- Cr1.7 Na1.4 O4 Sb0.3 -","4","0.166667","","Pospelov, A.A.; Nalbandyan, V.B.","Preparation, crystal structures and rapid hydration of P2- and P3-type sodium chromium antimony oxides","Journal of Solid State Chemistry","2011","184","5","1043","1047","10.1016/j.jssc.2011.03.011","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.07382","","1.62","","","","","","","has coordinates","266296","2021-06-09","08:30:27","" "1563407","3.28455","0.00006","3.28455","0.00006","21.5998","0.0003","90","","90","","120","","201.805","0.006","298","","298","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Aluminum oxycarbonitride","","- C4.2 Al10 N O2.8 -","- C2.08 Al5 N0.56 O1.36 -","- C4.16 Al10 N1.12 O2.72 -","2","0.0833333","","Inuzuka, Haruya; Kaga, Motoaki; Urushihara, Daisuke; Nakano, Hiromi; Asaka, Toru; Fukuda, Koichiro","Synthesis and structural characterization of a new aluminum oxycarbonitride, Al5(O, C, N)4","Journal of Solid State Chemistry","2010","183","11","2570","2575","10.1016/j.jssc.2010.08.043","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","266437","2021-06-14","09:29:28","" "1563620","8.256","0.001","8.256","0.001","8.608","0.001","90","","90","","120","","508.13","0.11","293","2","293","2","","","","","","","synthesis as described","3","P 63/m m c","-P 6c 2c","194","U3Co12-xGe4","","","- Co24 Ge8 U6 -","- Co23.32 Ge8 U6 -","- Co23.32 Ge8 U6 -","1","0.0416667","","Soudé, A.; Tougait, O.; Pasturel, M.; Kaczorowski, D.; Noël, H.","Crystal structure and electronic properties of the new compounds U3Co12−xX4 with X=Si, Ge","Journal of Solid State Chemistry","2010","183","5","1180","1185","10.1016/j.jssc.2010.03.015","","x-ray","0.71073","MoKα","","0.0353","0.0297","","","0.0691","0.0716","","","","","","1.113","","","","has coordinates","266592","2021-06-21","07:43:28","" "1563621","8.13","0.005","8.13","0.005","8.537","0.005","90","0.005","90","0.005","120","0.005","488.7","0.5","293","2","293","2","","","","","","","synthesis as described","3","P 63/m m c","-P 6c 2c","194","U3Co12-xSi4","","","- Co24 Si8 U6 -","- Co23.5 Si8 U6 -","- Co23.5 Si8 U6 -","1","0.0416667","","Soudé, A.; Tougait, O.; Pasturel, M.; Kaczorowski, D.; Noël, H.","Crystal structure and electronic properties of the new compounds U3Co12−xX4 with X=Si, Ge","Journal of Solid State Chemistry","2010","183","5","1180","1185","10.1016/j.jssc.2010.03.015","","x-ray","0.71069","MoKα","","0.0475","0.0371","","","0.0804","0.0824","","","","","","1.206","","","","has coordinates","266592","2021-06-21","07:43:28","" "1563789","12.3657","0.0019","12.3657","0.0019","12.59","0.004","90","","90","","120","","1667.2","0.6","298","2","298","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C9 H6 Cl Cu5 N36 -","- C9 H3 Cl Cu5 N36 -","- C18 H6 Cl2 Cu10 N72 -","2","0.0833333","","Gao, Hui; Liu, Min-Min; Zhai, Quan-Guo; Wei, Xing-Xing; Yang, Jin-Xiang; Zhang, Xian-Ming","Continuous regulation of the architectures of cupric tetrazolate coordination polymers via the pH and temperature","Journal of Solid State Chemistry","2019","276","","244","250","10.1016/j.jssc.2019.05.014","","","0.71073","MoKα","","0.1098","0.0744","","","0.1595","0.1751","","","","","","1.223","","","","has coordinates","266804","2021-06-30","08:59:18","" "1564548","5.8707","0.0007","5.8707","0.0007","24.445","0.003","90","","90","","120","","729.63","0.15","","","298","","","","100","","","","","5","P 63/m m c","-P 6c 2c","194","Ba5In2Al2ZrO13","","","- Al2 Ba5 In2 O13 Zr -","- Al2 Ba5 In2 O12.999 Zr -","- Al4 Ba10 In4 O25.998 Zr2 -","2","0.0833333","","Shpanchenko, R.V.; Abakumov, A.M.; Antipov, E.V.; Kovba, L.M.","Crystal structure of Ba5In2Al2ZrO13","Journal of Alloys and Compounds","1994","206","","185","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","268992","2021-09-07","00:56:31","" "1564724","7.6009","0.0003","7.6009","0.0003","7.8187","0.0005","90","","90","","120","","391.2","0.03","296","","296","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Icosaaluminium pentamanganese nickel","","- Al20 Mn5.37 Ni1.31 -","- Al20 Mn5.37 Ni1.314 -","- Al20 Mn5.37 Ni1.314 -","1","0.0416667","WM4153","Hu, Qifa; Wen, Bin; Fan, Changzeng","Crystal structure of the Al20Mn5.37Ni1.31 phase in the Al‒Mn‒Ni system","IUCrData","2021","6","9","","","10.1107/S2414314621009810","","","0.71073","MoKα","","0.0176","0.0159","","","0.033","0.0333","","","","","","1.202","","","","has coordinates,has Fobs","269310","2021-09-25","02:15:32","" "1564794","15.8474","0.0003","15.8474","0.0003","21.4754","0.0006","90","","90","","120","","4670.76","0.18","173.15","","173.15","","","","","","","","","8","P 63/m m c","-P 6c 2c","194","","PIC 2","","- C12 H12 Cr6 K2 Nb O104.5 P2 W17 -","- C18 H12 Cr6 K1.9998 Nb1.0002 O106 P2 W16.9998 -","- C36 H24 Cr12 K3.9996 Nb2.0004 O212 P4 W33.9996 -","2","0.0833333","","Weng, Zhewei; Ogiwara, Naoki; Kitao, Takashi; Kikukawa, Yuji; Gao, Yu; Yan, Likai; Uchida, Sayaka","Incorporating highly basic polyoxometalate anions comprising Nb or Ta into nanoscale reaction fields of porous ionic crystals.","Nanoscale","2021","13","44","18451","18457","10.1039/d1nr04762k","","x-ray","0.71075","MoKα","","0.0833","0.0736","","","0.1791","0.1832","","","","","","1.23","","","","has coordinates","271182","2021-12-07","03:23:53","" "1564914","13.9105","0.0012","13.9105","0.0012","17.6608","0.0013","90","","90","","120","","2959.6","0.4","150","","150","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C24 H17 Fe3 O16 -","- C24 H12 Fe3 O16 -","- C48 H24 Fe6 O32 -","2","0.0833333","","Bara, Dominic; Meekel, Emily G.; Pakamorė, Ignas; Wilson, Claire; Ling, Sanliang; Forgan, Ross S.","Exploring and expanding the Fe-terephthalate metal-organic framework phase space by coordination and oxidation modulation.","Materials horizons","2021","8","12","3377","3386","10.1039/d1mh01663f","","","0.71073","MoKα","","0.0437","0.0391","","","0.1176","0.1239","","","","","","1.115","","","","has coordinates","271237","2021-12-07","04:03:54","" "1564991","5.0539","0.0003","5.0539","0.0003","8.21","0.001","90","","90","","120","","181.6","0.03","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- H12 O12 Xe4 -","- H3 O3 Xe -","- H12 O12 Xe4 -","4","0.166667","","Sanloup, Chrystèle; Bonev, Stanimir A.; Hochlaf, Majdi; Maynard-Casely, Helen E.","Reactivity of Xenon with Ice at Planetary Conditions","Physical Review Letters","2013","110","26","","","10.1103/PhysRevLett.110.265501","","","","","","","","","","","","","","","","","","","","","has coordinates","270013","2021-10-18","23:04:43","" "1565705","14.9523","0.0012","14.9523","0.0012","39.342","0.006","90","","90","","120","","7617.3","1.4","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C44 H48 Cu2 N32 O16 S8 -","- C44 H48 Cu2 N32 O15.9998 S8 -","- C88 H96 Cu4 N64 O31.9996 S16 -","2","0.0833333","","Hua, Zi-Yi; Chen, Chen; Zhou, Fu-Hou; Zhang, Hao; Zhu, Zhao Qiang; Ge, Wei-Wei; Chen, Kai","Anion control in the complexation of cucurbit[6]uril with Cu(II) salts","Inorganica Chimica Acta","2020","499","","119183","","10.1016/j.ica.2019.119183","","","0.71073","MoKα","","0.1402","0.0992","","","0.1947","0.2096","","","","","","1.18","","","","has coordinates","271364","2021-12-13","10:47:18","" "1566717","2.54579","0.00002","2.54579","0.00002","4.1282","0.0005","90","","90","","120","","23.171","0.003","","","800","","","","14700000","","","","","3","P 63/m m c","-P 6c 2c","194","iron silicon alloy","","","- D0.24 Fe0.95 Si0.05 -","- D0.24 Fe0.95 Si0.05 -","- D0.48 Fe1.9 Si0.1 -","2","0.0833333","","Mori, Y.; Kagi, H.; Kakizawa, S.; Komatsu, K.; Shito, C.; Iizuka-Oku, R.; Aoki, K.; Hattori, T.; Sano-Furukawa, A.; Funakoshi, K.; Saitoh, H.","Neutron diffraction study of hydrogen site occupancy in Fe0.95Si0.05 at 14.7 GPa and 800 K","Journal of Mineralogical and Petrological Sciences","2021","1136","","309","313","10.2465/jmps.210825","","","","","","","","","","","","","","","","","","","","","has coordinates","274027","2022-03-28","07:50:42","" "1567390","7.3007","0.0001","7.3007","0.0001","17.5643","0.0004","90","","90","","120","","810.76","0.02","298","","298","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C2 Au K N2 -","- C2 Au K N2 -","- C12 Au6 K6 N12 -","6","0.25","","Vainauskas, Jogirdas; Topić, Filip; Arhangelskis, Mihails; Titi, Hatem M.; Friščić, Tomislav","Polymorphs and solid solutions: materials with new luminescent properties obtained through mechanochemical transformation of dicyanoaurate(I) salts.","Faraday discussions","2023","241","0","425","447","10.1039/d2fd00134a","","","1.54178","CuKα","","0.067","0.0649","","","0.1465","0.1503","","","","","","1.277","","","","has coordinates,has disorder","283359","2023-05-05","02:47:15","" "1569195","13.2708","0.0001","13.2708","0.0001","15.0958","0.0001","90","","90","","120","","2302.4","0.03","293","2","293","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- Al7.44 Ca2.62 K2.63 Mg0.6 Na0.13 O100.8 Si28.56 -","- Al7.44 Ca2.6236 K2.63 Mg0.6 Na0.132 O100.8 Si28.56 -","- Al7.44 Ca2.6236 K2.63 Mg0.6 Na0.132 O100.8 Si28.56 -","1","0.0416667","TI5026","Giacobbe, Carlotta; Moliterni, Anna; Di Giuseppe, Dario; Malferrari, Daniele; Wright, Jonathan P.; Mattioli, Michele; Ranieri, Simona; Giannini, Cinzia; Fornasini, Laura; Mugnaioli, Enrico; Ballirano, Paolo; Gualtieri, Alessandro F.","The crystal structure of the killer fibre erionite from Tuzköy (Cappadocia, Turkey).","IUCrJ","2023","","","","","10.1107/S2052252523003500","","x-ray","0.3257","synchrotron","","0.0383","0.0379","","","0.1137","0.1141","","","","","","1.089","","","","has coordinates","283892","2023-05-19","02:12:52","" "1569278","9.0885","0.0001","9.0885","0.0001","13.8787","0.0001","90","","90","","120","","992.805","0.017","293","","293","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C4 H11 Br6 N3 Pb2 -","- C3 H10.5 Br6 N3.856 Pb2 -","- C6 H21 Br12 N7.712 Pb4 -","2","0.0833333","","García-Espejo, Gonzalo; Konidaris, Konstantis F.; Guagliardi, Antonietta; Masciocchi, Norberto","Using Imidazolium in the Construction of Hybrid 2D and 3D Lead Bromide Pseudoperovskites","Chemistry","2023","5","2","1329","1343","10.3390/chemistry5020090","powder diffraction","","1.5418","CuKα","","","","","","","","","0.089","12.7","","","","","","","has coordinates","284351","2023-06-05","11:36:19","" "1569546","14.2995","0.0003","14.2995","0.0003","24.3801","0.001","90","","90","","120","","4317.3","0.2","298","","298","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","MIP-213(Al)","Aluminum cloride (5, 5'-Methylenediisophthalate)","","- C144 Al18 Cl6 O93 -","- C144 Al18 Cl6 O93.9999 -","- C144 Al18 Cl6 O93.9999 -","1","0.0416667","","Nandi, Shyamapada; Mansouri, Asma; Dovgaliuk, Iurii; Boullay, Philippe; Patriarche, Gilles; Cornu, Ieuan; Florian, Pierre; Mouchaham, Georges; Serre, Christian","A robust ultra-microporous cationic aluminum-based metal-organic framework with a flexible tetra-carboxylate linker","Communications Chemistry","2023","6","1","1","8","10.1038/s42004-023-00938-x","powder diffraction","","","CuKalpha1","","","","","","","","","13.1259","5.7837","","","","","","","has coordinates","285246","2023-07-17","15:18:42","" "1569600","9.448","0.002","9.448","0.002","10.894","0.002","90","0.03","90","0.03","120","0.03","842.2","0.4","343","2","343","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C9 Cd N4 S3 -","- C8.9994 Cd N4 S3 -","- C17.9988 Cd2 N8 S6 -","2","0.0833333","","Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi","Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.","Chemical science","2023","14","34","9041","9047","10.1039/d3sc02652c","","","0.71073","MoKα","","0.1599","0.107","","","0.2122","0.2325","","","","","","1.023","","","","has coordinates","286072","2023-09-05","19:22:12","" "1569601","9.989","0.002","9.989","0.002","10.798","0.002","90","","90","","120","","933.1","0.3","393.01","0.1","393.01","0.1","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C11 Cd N4 S3 -","- C11.0002 Cd N4 S3 -","- C22.0004 Cd2 N8 S6 -","2","0.0833333","","Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi","Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.","Chemical science","2023","14","34","9041","9047","10.1039/d3sc02652c","","x-ray","0.71073","MoKα","","0.1787","0.1401","","","0.2672","0.283","","","","","","1.193","","","","has coordinates,has disorder","286072","2023-09-05","19:22:12","" "1569604","9.703","0.002","9.703","0.002","10.837","0.002","90","0.03","90","0.03","120","0.03","883.6","0.4","353","","353","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C10 Cd N4 S3 -","- C10 Cd N4 S3 -","- C20 Cd2 N8 S6 -","2","0.0833333","","Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi","Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.","Chemical science","2023","14","34","9041","9047","10.1039/d3sc02652c","","","0.71073","MoKα","","0.1978","0.1329","","","0.2879","0.3075","","","","","","1.086","","","","has coordinates","286072","2023-09-05","19:22:12","" "1570596","12.62636","0.00007","12.62636","0.00007","26.70599","0.00016","90","","90","","120","","3687.19","0.04","300","1","300","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al85.85 Ru23 Si11.1 -","- Al85.856 Ru23 Si11.1 -","- Al171.712 Ru46 Si22.2 -","2","0.0833333","","Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru","Phase Equilibria in Aluminium–Ruthenium–Silicon System near 1200 Kelvin","Materials Transactions","2024","65","1","18","26","10.2320/matertrans.MT-M2023128","","x-ray","0.71073","MoKα","","0.0138","0.012","","","0.0246","0.025","","","","","","1.262","","","","has coordinates","288548","2023-12-25","02:21:24","" "1570708","5.669","0.005","5.669","0.005","7.75","0.003","90","","90","","120","","215.7","0.3","773","0.6","773","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- K Na O4 S -","- K Na O3.9999 S -","- K2 Na2 O7.9998 S2 -","2","0.0833333","","Shablinskii, Andrey; Bubnova, Rimma; Shorets, Olga; Krzhizhanovskaya, Maria; Volkov, Sergey; Filatov, Stanislav","Novel High-Temperature Modification of Belomarinaite KNaSO4: Crystal Structure and Thermal Order–Disorder Phase Transitions","Crystals","2023","14","1","27","","10.3390/cryst14010027","","x-ray","0.71073","MoKα","","0.1185","0.0559","","","0.0591","0.0665","","","","2.74","2.74","1.74","","","","has coordinates","288917","2024-01-06","15:58:04","" "1570709","5.654","0.002","5.654","0.002","8.353","0.004","90","","90","","120","","231.25","0.16","1023","","1023","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- K Na O4 S -","- K Na O4.0005 S -","- K2 Na2 O8.001 S2 -","2","0.0833333","","Shablinskii, Andrey; Bubnova, Rimma; Shorets, Olga; Krzhizhanovskaya, Maria; Volkov, Sergey; Filatov, Stanislav","Novel High-Temperature Modification of Belomarinaite KNaSO4: Crystal Structure and Thermal Order–Disorder Phase Transitions","Crystals","2023","14","1","27","","10.3390/cryst14010027","","x-ray","0.71073","MoKα","","0.2826","0.0476","","","0.0469","0.1026","","","","1.35","1.35","1.16","","","","has coordinates","288918","2024-01-06","15:58:44","" "2000487","4.6445","0.0007","4.6445","0.0007","9.354","0.002","90","","90","","120","","174.75","0.05","293","1","293","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- In La Pd2 -","- In La Pd2 -","- In2 La2 Pd4 -","2","0.0833333","SH1014","Xue, B.; Schwer, H.; Hulliger, F.","Structure of LaPd~2~In","Acta Crystallographica Section C","1992","48","11","2064","2065","10.1107/S0108270192007303","","","0.71073","MoKα","","0.0377","0.0369","","0.0977","0.0974","","","","1.565","1.572","1.572","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2002080","3.721","0.001","3.721","","16.639","0.007","90","","90","","120","","199.5","0.1","115","","115","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","potassium zirconium indium sulfide","","- In0.5 K0.5 S2 Zr0.5 -","- K0.5 S2 Zr0.5 -","- K S4 Zr -","2","0.0833333","ST1015","Wu, P.; Ibers, J. A.","Synthesis and structures of the quaternary sulfides K~0.5~Zr~0.5~In~0.5~S~2~ and K~0.5~Cr~0.5~Sn~0.5~S~2~","Acta Crystallographica Section C","1993","49","1","126","129","10.1107/S0108270192008345","","","0.7093","MoKα","","","","","0.111","0.111","","","","2.3","2.3","2.3","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00","" "2002184","5.628","","5.628","","22.07999","","90","","90","","120","","605.7","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Calcium hexairon(III) hexaaluminium oxide","","- Al6 Ca Fe6 O19 -","- Al6.0002 Ca Fe5.9998 O19 -","- Al12.0004 Ca2 Fe11.9996 O38 -","2","0.0833333","","Harder, M; Mueller-Buschbaum, Hk","Ca Fe6 Al6 O19 mit Magnetoplumbitstruktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","833","834","","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002220","5.714","","5.714","","22.784","","90","","90","","120","","644.2","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Strontium heptairon(III) pentaaluminium oxide","","- Al5 Fe7 O19 Sr -","- Al4.9998 Fe7.0002 O19 Sr -","- Al9.9996 Fe14.0004 O38 Sr2 -","2","0.0833333","","Pausch, H; Mueller-Buschbaum, Hk","Zur Metallverteilung in Sr Fe7 Al5 O19","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1976","31","","1148","1148","","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002234","5.653","","5.653","","22.81","","90","","90","","120","","631.3","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium aluminium iron oxide (2/11/11/34)","","- Al11 Ba2 Fe11 O34 -","- Al11.0004 Ba2 Fe10.9996 O34 -","- Al11.0004 Ba2 Fe10.9996 O34 -","1","0.0416667","","Mueller-Buschbaum, Hk; Harder, M","Zur Kenntnis von Ba2 (Fe2+)2 (Fe3+)9 Al11 O34","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1978","33","","146","148","","","","","","","0.083","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002279","5.687","","5.687","","22.23","","90","","90","","120","","622.6","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Neodymium iron iron(III) aluminium oxide (2/2/13/9/38)","","- Al9 Fe15 Nd2 O38 -","- Al8.9996 Fe15.0004 Nd2 O38 -","- Al8.9996 Fe15.0004 Nd2 O38 -","1","0.0416667","","Lehmann, U; Mueller-Buschbaum, Hk","Der erste Magnetoplumbit mit Lanthanoidionen: Nd2 Fe(II)2 Fe(III)13 Al9 O38","Zeitschrift fuer Anorganische und Allgemeine Chemie","1982","486","","45","48","10.1002/zaac.19824860106","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002286","3.9373","","3.9373","","6.1299","","90","","90","","120","","82.3","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Lanthanum oxide - A","","- La2 O3 -","- La2 O3 -","- La2 O3 -","1","0.0416667","","Mueller-Buschbaum, Hk; Schnering, H G von","Strukturuntersuchungen an La2 O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1965","340","","232","245","10.1002/zaac.19653400503","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","201955","2020-10-21","18:00:00","" "2002298","5.826","","5.826","","22.82999","","90","","90","","120","","671.1","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Lanthanum iron decairon(III) aluminium oxide","","- Al Fe11 La O19 -","- Al0.9998 Fe11.0002 La O19 -","- Al1.9996 Fe22.0004 La2 O38 -","2","0.0833333","","Schwanitz-Schueller, U; Mueller-Buschbaum, Hk","Neue Lanthanoidmagnetoplumbite: La Fe11 Al O19, Sm Fe4 Al8 O19 und Eu0.83 Fe2 Al10 O19","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1982","113","","1079","1085","","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002299","5.634","","5.634","","22.07999","","90","","90","","120","","607","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Samarium iron triiron(III) octaaluminium oxide","","- Al8 Fe4 O19 Sm -","- Al7.9998 Fe4.0002 O19 Sm -","- Al15.9996 Fe8.0004 O38 Sm2 -","2","0.0833333","","Schwanitz-Schueller, U; Mueller-Buschbaum, Hk","Neue Lanthanoidmagnetoplumbite: La Fe11 Al O19, Sm Fe4 Al8 O19 und Eu0.83 Fe2 Al10 O19","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1982","113","","1079","1085","","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002300","5.658","","5.658","","22.17999","","90","","90","","120","","614.9","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Europium iron iron(III) aluminium oxide (.83/.5/1.5/10/19)","","- Al10 Eu0.83 Fe2 O19 -","- Al10 Eu0.83 Fe2 O19 -","- Al20 Eu1.66 Fe4 O38 -","2","0.0833333","","Schwanitz-Schueller, U; Mueller-Buschbaum, Hk","Neue Lanthanoidmagnetoplumbite: La Fe11 Al O19, Sm Fe4 Al8 O19 und Eu0.83 Fe2 Al10 O19","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1982","113","","1079","1085","","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2002336","5.592","","5.592","","21.965","","90","","90","","120","","594.8","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Lanthanum magnesium aluminium oxide (1/1/11/19)","","- Al11 La Mg O19 -","- Al11 La Mg O19 -","- Al22 La2 Mg2 O38 -","2","0.0833333","","Brandt, R; Mueller-Buschbaum, Hk","Ein Beitrag zur Kristallchemie der Lanthanoidmagnetoplumbite","Zeitschrift fuer Anorganische und Allgemeine Chemie","1984","510","","163","168","10.1002/zaac.19845100322","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002337","5.595","","5.595","","21.82999","","90","","90","","120","","591.8","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Neodymium magnesium aluminium oxide (1/1/11/19)","","- Al11 Mg Nd O19 -","- Al11 Mg Nd O19 -","- Al22 Mg2 Nd2 O38 -","2","0.0833333","","Brandt, R; Mueller-Buschbaum, Hk","Ein Beitrag zur Kristallchemie der Lanthanoidmagnetoplumbite","Zeitschrift fuer Anorganische und Allgemeine Chemie","1984","510","","163","168","10.1002/zaac.19845100322","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002346","7.382","0.001","7.382","","23.48999","0.03","90","","90","","120","","1108.6","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Gadolinium titanium(IV) tungsten(VI) oxide (2/0.78/0.56/6.22)","","- Gd2 O6.22 Ti0.78 W0.56 -","- Gd1.99722 O6.22222 Ti0.78 W0.553333 -","- Gd17.975 O56 Ti7.02 W4.98 -","9","0.375","","Tiedemann, P; Mueller-Buschbaum, Hk","Ein neuer Strukturtyp an Gd2 Ti0.78 W0.56 O6.22","Zeitschrift fuer Anorganische und Allgemeine Chemie","1985","526","","67","72","10.1002/zaac.19855260710","","","","","","0.084","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2002367","5.8034","0.0004","5.8034","0.0004","24.99699","0.005","90","","90","","120","","729.1","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Barium iron platinum chlorine oxide (10/8/2/2/25)","","- Ba10 Cl2 Fe8 O25 Pt2 -","- Ba10 Cl2 Fe8 O25 Pt2 -","- Ba10 Cl2 Fe8 O25 Pt2 -","1","0.0416667","","Leib, W; Mueller-Buschbaum, Hk","Zur Kenntnis von Ba10 Fe8 Pt2 Cl2 O25","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","551","","7","12","10.1002/zaac.19875510802","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002459","5.9159","0.0008","5.9159","0.0008","14.744","0.004","90","","90","","120","","446.9","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Dibarium europium iridate(V)","","- Ba2 Eu Ir O6 -","- Ba2 Eu Ir O6 -","- Ba6 Eu3 Ir3 O18 -","3","0.125","","Lang, C; Mueller-Buschbaum, Hk","Ba2 Eu Ir O6 - Eine Kristallstrukturuntersuchung an einer 6L- Perowskitstapelvariante","Journal of the Less-Common Metals","1990","161","","1","6","10.1016/0022-5088(90)90307-6","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002468","5.7809","0.0008","5.7809","0.0008","19.62479","0.0007","90","","90","","120","","568","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Dibarium indium aluminium oxide","","- Al Ba2 In O5 -","- Al Ba2 In O5 -","- Al4 Ba8 In4 O20 -","4","0.166667","","Mueller-Buschbaum, Hk; Abed, M","Ba2 In Al O5: Ein weiterer Strukturtyp bei Oxometallaten der Formel A2 M2 O2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","591","","174","180","10.1002/zaac.19905910120","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002518","5.6043","0.0045","5.6043","0.0045","22.67819","0.0249","90","","90","","120","","616.9","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Barium strontium copper aluminium oxide (0.5/0.5/1/10/17)","","- Al10 Ba0.5 Cu O17 Sr0.5 -","- Al10 Ba0.5 Cu O17 Sr0.5 -","- Al20 Ba Cu2 O34 Sr -","2","0.0833333","","Gutau, W.; Müller-Buschbaum, Hk.","Eine β-Tonerde mit Cu^2+^ in tetraedischer Koordination: (Ba, Sr)CuAl~10~O~17~","Zeitschrift für Anorganische und Allgemeine Chemie","1990","582","1","21","24","10.1002/zaac.19905820104","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","200134","2020-10-21","18:00:00","" "2002536","5.891","0.002","5.891","0.002","14.571","0.005","90","","90","","120","","437.9","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Tribarium calcium diruthenium(V) oxide","","- Ba3 Ca O9 Ru2 -","- Ba3 Ca O9 Ru2 -","- Ba6 Ca2 O18 Ru4 -","2","0.0833333","","Wilkens, J; Mueller-Buschbaum, Hk","Einkristalluntersuchung an Ba3 Ca Ru2 O9","Journal of Alloys Compd.","1991","177","","L31","L33","10.1016/0925-8388(91)90071-3","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002539","5.86","0.002","5.86","0.002","25.101","0.009","90","","90","","120","","746.5","","","","","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","Barium iridium indium aluminium oxide chloride (5/1/2/2/13/1)","","- Al2 Ba5 Cl In2 Ir O13 -","- Al2 Ba5 Cl In2 Ir O13 -","- Al4 Ba10 Cl2 In4 Ir2 O26 -","2","0.0833333","","Neubacher, M; Mueller-Buschbaum, Hk","Ein neues Erdalkalimetall-Chlorooxometallat mit Ir5+: Ba5 Ir In2 Al2 O13 Cl","Journal of Alloys Compd.","1992","183","","18","23","10.1016/0925-8388(92)90726-P","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002558","5.7965","0.0009","5.7965","0.0009","14.539","0.028","90","","90","","120","","423.1","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Dibarium scandium aluminium oxide","","- Al Ba2 O5 Sc -","- Al Ba2 O5 Sc -","- Al3 Ba6 O15 Sc3 -","3","0.125","","Rath, M; Mueller-Buschbaum, Hk","Ein Beitrag zur Kristallstruktur von Ba2 Sc Al O5 und Sr2 Sc0.5 Al1.5 O5","Journal of Alloys Compd.","1992","189","","127","130","10.1016/0925-8388(92)90058-H","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002608","5.9186","0.001","5.9186","0.001","14.6518","0.0055","90","","90","","120","","444.5","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Barium calcium ruthenium tantalum oxide (3/1/1.5/0.5/9)","","- Ba3 Ca O9 Ru1.5 Ta0.5 -","- Ba3 Ca O9 Ru1.5 Ta0.5 -","- Ba6 Ca2 O18 Ru3 Ta -","2","0.0833333","","Scheske, S; Mueller-Buschbaum, Hk","Zwei weitere oxidische Phasen mit 6L-Perowskitstruktur: Ba3 Ca Ru1.5 Ta0.5 O9 und Ba3 Ca Ru0.5 Ir1.5 O9","Journal of Alloys Compd.","1993","198","","173","176","10.1016/0925-8388(93)90161-F","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2002609","5.9061","0.001","5.9061","0.001","14.6879","0.0056","90","","90","","120","","443.7","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Barium calcium ruthenium iridium oxide (3/1/0.5/1.5/9)","","- Ba3 Ca Ir1.5 O9 Ru0.5 -","- Ba3 Ca Ir1.5 O9 Ru0.5 -","- Ba6 Ca2 Ir3 O18 Ru -","2","0.0833333","","Scheske, S; Mueller-Buschbaum, Hk","Zwei weitere oxidische Phasen mit 6L-Perowskitstruktur: Ba3 Ca Ru1.5 Ta0.5 O9 und Ba3 Ca Ru0.5 Ir1.5 O9","Journal of Alloys Compd.","1993","198","","173","176","10.1016/0925-8388(93)90161-F","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2002634","5.897","0.001","5.897","0.001","23.18999","0.01","90","","90","","120","","698.4","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Strontium tin(IV) iron iron(III) oxide","","- Fe11 O19 Sn Sr -","- Fe11.01 O19 Sn0.99 Sr -","- Fe22.02 O38 Sn1.98 Sr2 -","2","0.0833333","","Sonne, P; Mueller-Buschbaum, Hk","Zur Kenntnis eines Magnetoplumbits mit Sn4+: Sr Sn Fe2+ (Fe3+)10 O19","Journal of Alloys Compd.","1993","199","","L9","L11","10.1016/0925-8388(93)90421-I","","","","","","0.092","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002653","5.7688","0.0008","5.7688","0.0008","15.0762","0.001","90","","90","","120","","434.5","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Potassium dibarium divanadate chloride","","- Ba2 Cl K O7 V2 -","- Ba2 Cl K O7 V2 -","- Ba4 Cl2 K2 O14 V4 -","2","0.0833333","","Martin, F - D; Mueller-Buschbaum, Hk","Zur Kenntnis von KBa2 V2 O7 Cl","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1994","49","","1141","1144","","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002728","5.595","0.003","5.595","0.003","14.592","0.002","90","","90","","120","","395.6","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Tribarium yttrium diruthenium nonaoxide","","- Ba3 O9 Ru2 Y -","- Ba3 O9 Ru2 Y -","- Ba6 O18 Ru4 Y2 -","2","0.0833333","","Rath, M; Mueller-Buschbaum, Hk","Einkristall-Roentgenstrukturanalyse und magnetische Eigenschaften von Ba3 Y Ru2 O9, Ba3 Gd Ru2 O9 und Ba3 Yb Ru2 O9","Journal of Alloys Compd.","1994","210","","119","123","10.1016/0925-8388(94)90125-2","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002729","5.87","0.001","5.87","0.001","14.464","0.002","90","","90","","120","","431.6","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Tribarium gadolinium diruthenium nonaoxide","","- Ba3 Gd O9 Ru2 -","- Ba3 Gd O9 Ru2 -","- Ba6 Gd2 O18 Ru4 -","2","0.0833333","","Rath, M; Mueller-Buschbaum, Hk","Einkristall-Roentgenstrukturanalyse und magnetische Eigenschaften von Ba3 Y Ru2 O9, Ba3 Gd Ru2 O9 und Ba3 Yb Ru2 O9","Journal of Alloys Compd.","1994","210","","119","123","10.1016/0925-8388(94)90125-2","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002730","5.858","0.001","5.858","0.001","14.432","0.004","90","","90","","120","","428.9","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Tribarium ytterbium diruthenium nonaoxide","","- Ba3 O9 Ru2 Yb -","- Ba3 O6 Ru2 Yb -","- Ba6 O12 Ru4 Yb2 -","2","0.0833333","","Rath, M; Mueller-Buschbaum, Hk","Einkristall-Roentgenstrukturanalyse und magnetische Eigenschaften von Ba3 Y Ru2 O9, Ba3 Gd Ru2 O9 und Ba3 Yb Ru2 O9","Journal of Alloys Compd.","1994","210","","119","123","10.1016/0925-8388(94)90125-2","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002738","5.8738","0.0007","5.8738","0.0007","14.585","0.004","90","","90","","120","","435.8","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Tribarium cerium diruthenium nonaoxide","","- Ba3 Ce O9 Ru2 -","- Ba3 Ce O9 Ru2 -","- Ba6 Ce2 O18 Ru4 -","2","0.0833333","","Mueller-Buschbaum, Hk; Mertens, B","Einkristall-Roentgenstrukturanalyse von Ba3 Ce(IV) Ru(IV)2O9, Ba3 Ln(III) Ru(IV/V)2O9 (Ln=Sm, Dy, Er)und Ba3 Ti2.4 Ru0.6 O9","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","79","84","","","","","","","0.1224","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002739","5.9137","0.0005","5.9137","0.0005","14.651","0.0012","90","","90","","120","","443.7","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Tribarium samarium diruthenium nonaoxide","","- Ba3 O9 Ru2 Sm -","- Ba3 O9 Ru2 Sm -","- Ba6 O18 Ru4 Sm2 -","2","0.0833333","","Mueller-Buschbaum, Hk; Mertens, B","Einkristall-Roentgenstrukturanalyse von Ba3 Ce(IV) Ru(IV)2O9, Ba3 Ln(III) Ru(IV/V)2O9 (Ln=Sm, Dy, Er)und Ba3 Ti2.4 Ru0.6 O9","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","79","84","","","","","","","0.0573","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002740","5.8805","0.0005","5.8805","0.0005","14.5058","0.0009","90","","90","","120","","434.4","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Tribarium dysprosium diruthenium nonaoxide","","- Ba3 Dy O9 Ru2 -","- Ba3 Dy O9 Ru2 -","- Ba6 Dy2 O18 Ru4 -","2","0.0833333","","Mueller-Buschbaum, Hk; Mertens, B","Einkristall-Roentgenstrukturanalyse von Ba3 Ce(IV) Ru(IV)2O9, Ba3 Ln(III) Ru(IV/V)2O9 (Ln=Sm, Dy, Er)und Ba3 Ti2.4 Ru0.6 O9","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","79","84","","","","","","","0.0776","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002741","5.8737","0.0009","5.8737","0.0009","14.47","0.003","90","","90","","120","","432.3","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Tribarium erbium diruthenium nonaoxide","","- Ba3 Er O9 Ru2 -","- Ba3 Er O9 Ru2 -","- Ba6 Er2 O18 Ru4 -","2","0.0833333","","Mueller-Buschbaum, Hk; Mertens, B","Einkristall-Roentgenstrukturanalyse von Ba3 Ce(IV) Ru(IV)2O9, Ba3 Ln(III) Ru(IV/V)2O9 (Ln=Sm, Dy, Er)und Ba3 Ti2.4 Ru0.6 O9","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","79","84","","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002742","5.7265","0.0006","5.7265","0.0006","14.0057","0.0012","90","","90","","120","","397.8","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium titanium ruthenium oxide (3/2.4/0.6/9)","","- Ba3 O9 Ru0.6 Ti2.4 -","- Ba3 O9 Ru0.629 Ti2.368 -","- Ba6 O18 Ru1.258 Ti4.736 -","2","0.0833333","","Mueller-Buschbaum, Hk; Mertens, B","Einkristall-Roentgenstrukturanalyse von Ba3 Ce(IV) Ru(IV)2O9, Ba3 Ln(III) Ru(IV/V)2O9 (Ln=Sm, Dy, Er)und Ba3 Ti2.4 Ru0.6 O9","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","79","84","","","","","","","0.0636","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2002849","3.83","","3.83","","6.01","","90","","90","","120","","76.3","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Neodymium oxide - A-form","","- Nd2 O3 -","- Nd2 O3 -","- Nd2 O3 -","1","0.0416667","","Mueller-Buschbaum, Hk","Zur Struktur der A-Form der Sesquioxide der Seltenen Erden. II Strukturuntersuchung an Nd2 O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1966","343","","6","10","10.1002/zaac.19663430103","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","201955","2020-10-21","18:00:00","" "2004238","5.045","0.003","5.045","0.003","16.434","0.007","90","","90","","120","","362.2","0.3","293","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ce Ni2 Zn -","- Ce Ni2 Zn -","- Ce6 Ni12 Zn6 -","6","0.25","DU1126","Pavlyuk, V. V.; Opainych, I. M.; Bodak, O. I.; Černý, R.; Yvon, K.","Rhombohedral Ce~2~Ni~5~Zn~2~ and Hexagonal CeNi~2~Zn: the First Ternary Compounds from the Ce‒Ni‒Zn System","Acta Crystallographica Section C","1995","51","12","2464","2466","10.1107/S010827019500655X","","","0.71073","MoKα","","0.085","0.066","","0.034","0.034","","","","2.711","2.512","2.512","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2007344","7.171","0.001","7.171","0.001","5.944","0.003","90","","90","","120","","264.71","0.14","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","Caesium nickel chloride","Caesium nickel(II) chloride'","","- Cl3 Cs Ni -","- Cl3 Cs Ni -","- Cl6 Cs2 Ni2 -","2","0.0833333","JZ1253","Sassmannshausen, Markus; Lutz, Heinz Dieter","Caesium Nickel(II) Trichloride, CsNiCl~3~, and Tricaesium Nickel(II) Pentachloride, Cs~3~NiCl~5~","Acta Crystallographica Section C","1998","54","6","704","706","10.1107/S0108270197019598","","","0.71069","MoKα","","0.0164","0.0144","","0.0312","0.0304","","","","1.437","1.465","1.465","","","","","has coordinates","176759","2020-10-21","18:00:00","" "2009424","3.327","0.0002","3.327","0.0002","12.175","0.0001","90","","90","","120","","116.709","0.01","296","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","","","","","- Fe In O3 -","- Fe In O3 -","- Fe2 In2 O6 -","2","0.0833333","ST1059","Giaquinta, D.M.; Davis, W.M.; Zur Loye, H.-C.","Structure of indium iron oxide","Acta Crystallographica Section C","1994","50","1","5","7","10.1107/S0108270193007723","","","0.71069","MoKα","","","0.014","","","0.015","","","","","1.28","1.28","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2009488","5.7238","0.0007","5.7238","0.0007","13.9649","0.0007","90","","90","","120","","396.22","0.07","296","","296","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba6 O18 Ti6 -","6","0.25","OH1053","Akimoto, J.; Gotoh, Y.; Oosawa, Y.","Refinement of hexagonal BaTiO~3~","Acta Crystallographica Section C","1994","50","2","160","161","10.1107/S0108270193008637","","","0.71069","MoKα","","0.043","0.037","","0.036","0.036","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00","" "2009517","3.3406","0.0001","3.3406","0.0001","32.51","0.02","90","","90","","120","","314.19","0.19","295","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","","","","","- Fe Lu O7 Zn4 -","- Fe0.5 Lu O7 Zn4.5 -","- Fe Lu2 O14 Zn9 -","2","0.0833333","AS1025","Isobe, M.; Kimizuka, N.; Nakamura, M.; Mohri, T.","Structures of LuFeO~3~(ZnO)~m~ (m =1, 4, 5 and 6)","Acta Crystallographica Section C","1994","50","3","332","336","10.1107/S0108270193008108","","","0.71073","MoKα","","","0.05","","","0.057","","","","","2.6","2.6","","","","","has coordinates","176759","2020-10-21","18:00:00","" "2009564","5.486","0.001","5.486","0.001","17.574","0.003","90","","90","","120","","458.05","0.14","295","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","","","","","- Co2 K2 O9 Se3 -","- Co2 K2 O9 Se4 -","- Co4 K4 O18 Se8 -","2","0.0833333","SH1067","Wildner, M.","Structure of K~2~Co~2~(SeO~3~)~3~","Acta Crystallographica Section C","1994","50","3","336","338","10.1107/S0108270193008479","","","0.71073","MoKα","","","0.038","","","0.034","","","","","4.12","4.12","","","","","has coordinates","176759","2020-10-21","18:00:00","" "2013050","5.902","0.001","5.902","0.001","32.78","0.01","90","","90","","120","","988.9","0.4","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","W hexaferrite","strontium zinc cobalt hexadecairon oxide","","- Co Fe16 O27 Sr Zn -","- Co0.99999 Fe16 O27 Sr Zn -","- Co1.99998 Fe32 O54 Sr2 Zn2 -","2","0.0833333","SK1585","Graetsch, Heribert A.","Zn location in the W-type hexagonal ferrite SrZnCoFe~16~O~27~","Acta Crystallographica Section C","2002","58","11","i152","i153","10.1107/S0108270102017316","","","0.71073","MoKα","","0.026","0.023","","","0.055","0.056","","","","","","1.3","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2013105","3.3477","0.0008","3.3477","0.0008","12.875","0.004","90","","90","","120","","124.96","0.06","150","2","150","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","lithium niobium disulfide","","- Li0.63 Nb S2 -","- Li0.63 Nb S2 -","- Li1.26 Nb2 S4 -","2","0.0833333","BC1001","Salyer, Pamela A.; Barker, Marten G.; Blake, Alexander J.; Gregory, Duncan H.; Wilson, Claire","Lithium niobium disulfide, Li~0.63~NbS~2~","Acta Crystallographica Section C","2003","59","1","i4","i6","10.1107/S0108270102021844","","","0.71073","MoKα","","0.019","0.018","","","0.043","0.044","","","","","","1.421","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "2014953","6.2916","0.0002","6.2916","0.0002","8.1964","0.0002","90","","90","","120","","280.98","0.014","683","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","Tl2 Se O4","Thallium selenate","","- O4 Se Tl2 -","- O4 Se Tl2 -","- O8 Se2 Tl4 -","2","0.0833333","TY1005","Matsuo, Yasumitsu; Tokoyoda, Yoshihide; Hatori, Junko; Komukae, Masaru; Ikehata, Seiichiro","Thallium selenate (Tl~2~SeO~4~) in a paraelastic phase by X-ray powder diffraction","Acta Crystallographica Section C","2005","61","4","i39","i40","10.1107/S0108270105003100","","","1.54184","CuKα","","","","","","","","","","","","","1.32","","","","has coordinates","176432","2020-10-21","18:00:00","" "2015136","10.2345","0.0002","10.2345","0.0002","7.0799","0.0003","90","","90","","120","","642.23","0.03","180","2","180","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","catena-Poly[sodium [[tricyanatozinc(II)]-μ-1,4-diazobicyclo[2.2.2]octane-κ^2^N:N']]","","- C9 H12 N5 Na O3 Zn -","- C9 H12 N5 Na O3 Zn -","- C18 H24 N10 Na2 O6 Zn2 -","2","0.0833333","FG1873","Bond, Andrew D.; McKenzie, Christine J.","One-dimensional zinc-based coordination polymers incorporating cyanate anions","Acta Crystallographica Section C","2005","61","12","m519","m522","10.1107/S0108270105033962","","","0.71073","MoKα","","0.0322","0.0306","","","0.0756","0.0762","","","","","","1.109","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2015725","7.262","0.001","7.262","0.001","22.47","0.005","90","","90","","120","","1026.2","0.3","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","Magnesium selenite 7.5-hydrate","","","- H15 Mg O10.5 Se -","- H14.98 Mg O10.5 Se -","- H59.92 Mg4 O42 Se4 -","4","0.166667","BC3022","Michel Fleck","Orientational disorder of [Mg(H~2~O)~6~] octahedra in the novel magnesium selenite hydrate Mg(SeO~3~)·7.5H~2~O","Acta Crystallographica Section C","2007","63","1","i1","i3","10.1107/S0108270106047949","","","0.71073","MoKα","","0.0251","0.023","","","0.0519","0.0527","","","","","","1.208","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2016460","4.9351","0.001","4.9351","0.001","18.38","0.004","90","","90","","120","","387.68","0.14","295","2","295","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","lithium copper aluminide","","- Al4.84 Cu13.16 Li8 -","- Al4.844 Cu13.156 Li8 -","- Al4.844 Cu13.156 Li8 -","1","0.0416667","SQ3108","Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Tarasiuk, Ivan; Pauly, Hermann; Ehrenberg, Helmut","Li~8~Cu~12+x~Al~6{-~x} (x = 1.16): a new structure type related to Laves phases","Acta Crystallographica Section C","2008","64","2","i15","i17","10.1107/S0108270107065985","","","0.71073","MoKα","","0.0514","0.0274","","","0.0526","0.0581","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2017102","5.8416","0.0015","5.8416","0.0015","14.604","0.005","90","","90","","120","","431.6","0.2","298.15","","298.15","0.02","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Potassium scandium niobate hydroxide","","- H1.75 K3 Nb2.13 O9 Sc0.88 -","- H1.74 K3 Nb2.13 O9 Sc0.88 -","- H3.48 K6 Nb4.26 O18 Sc1.76 -","2","0.0833333","LG3008","Mann, Matthew; Kolis, Joseph; VanDerveer, Don","K~3~(Sc~0.875~Nb~0.125~)Nb~2~O~9~H~1.75~: a new scandium niobate with a unique cage structure","Acta Crystallographica Section C","2009","65","5","i27","i29","10.1107/S0108270109009421","","","0.71073","MoKα","","0.0289","0.0275","","","0.0792","0.081","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2017323","4.022","0.0017","4.022","0.0017","17.408","0.008","90","","90","","120","","243.87","0.18","90","2","90","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","CaIn~2~P~2~","calcium indium phosphide","","- Ca In2 P2 -","- Ca In2 P2 -","- Ca2 In4 P4 -","2","0.0833333","FA3198","Rauscher, Japheth F.; Condron, Cathie L.; Beault, Tanya; Kauzlarich, Susan M.; Jensen, Newell; Klavins, Peter; MaQuilon, Samuel; Fisk, Zachary; Olmstead, Marilyn M.","Flux growth and structure of two compounds with the EuIn~2~P~2~ structure type, AIn~2~P~2~ (A = Ca and Sr), and a new structure type, BaIn~2~P~2~","Acta Crystallographica Section C","2009","65","10","i69","i73","10.1107/S0108270109035987","","","0.71073","MoKα","","0.0359","0.028","","","0.0652","0.0728","","","","","","1.266","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2017324","4.0945","0.0016","4.0945","0.0016","17.812","0.007","90","","90","","120","","258.61","0.18","90","2","90","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","SrIn~2~P~2~","strontium indium phosphide","","- In2 P2 Sr -","- In2 P2 Sr -","- In4 P4 Sr2 -","2","0.0833333","FA3198","Rauscher, Japheth F.; Condron, Cathie L.; Beault, Tanya; Kauzlarich, Susan M.; Jensen, Newell; Klavins, Peter; MaQuilon, Samuel; Fisk, Zachary; Olmstead, Marilyn M.","Flux growth and structure of two compounds with the EuIn~2~P~2~ structure type, AIn~2~P~2~ (A = Ca and Sr), and a new structure type, BaIn~2~P~2~","Acta Crystallographica Section C","2009","65","10","i69","i73","10.1107/S0108270109035987","","","0.71073","MoKα","","0.0171","0.0146","","","0.0344","0.0367","","","","","","1.251","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2017879","5.7773","0.0001","5.7773","0.0001","13.0852","0.0003","90","","90","","120","","378.234","0.013","353","","353","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","strontium haxavanadium undecaoxide","","- O11 Sr V6 -","- O11 Sr V6 -","- O22 Sr2 V12 -","2","0.0833333","FA3226","Hata, Yoshiaki; Kanke, Yasushi; Kita, Eiji","The structural phase transition in SrV~6~O~11~","Acta Crystallographica Section C","2010","66","12","i99","i102","10.1107/S0108270110046299","","","0.71073","MoKα","","0.0209","0.0205","","","0.0533","0.0535","","","","","","1.369","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "2018008","9.4415","0.0004","9.4415","0.0004","9.1937","0.0008","90","","90","","120","","709.75","0.07","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ternary tetralanthanum trimagnesium tricontazinc","","- La4.27 Mg2.89 Zn30 -","- La4.274 Mg2.8908 Zn30 -","- La4.274 Mg2.8908 Zn30 -","1","0.0416667","FN3072","Pavlyuk, Volodymyr; Rozycka-Sokolowska, Ewa; Marciniak, Bernard","La~4.27~Mg~2.89~Zn~30~, a new structure type with strong positional disorder","Acta Crystallographica Section C","2011","67","3","i13","i16","10.1107/S0108270111002137","","","0.71073","MoKα","","0.0144","0.0132","","","0.048","0.0481","","","","","","1.123","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2018282","4.0969","0.0006","4.0969","0.0006","13.602","0.003","90","","90","","120","","197.72","0.06","293","2","293","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","scandium telluride","","- Sc Te -","- Sc Te -","- Sc4 Te4 -","4","0.166667","FN3086","Chai, Ping; Corbett, John D.","Two new compounds, β-ScTe and Y~3~Au~2~, and a reassessment of Y~2~Au","Acta Crystallographica Section C","2011","67","11","i53","i55","10.1107/S010827011103589X","","","0.71073","MoKα","","0.0377","0.0358","","","0.0785","0.0805","","","","","","1.566","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2018869","5.623","","5.623","","9.791","","90","","90","","120","","268.098","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Au2 K -","- Au2 K -","- Au8 K4 -","4","0.166667","","Klement, U.; Range, K.J.; Rau, F.","Potassium digold. K Au2","Acta Crystallographica C (39,1983-)","1988","44","","1485","1486","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2019456","4.4015","0.0003","4.4015","0.0003","8.5398","0.0007","90","","90","","120","","143.278","0.018","297","2","297","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Magnesium digold gallium","","- Au2 Ga Mg -","- Au2 Ga Mg -","- Au4 Ga2 Mg2 -","2","0.0833333","KU3126","Smetana, Volodymyr; Corbett, John D.; Miller, Gordon J.","MgAuGa and MgAu~2~Ga: first representatives of the Mg‒Au‒Ga system","Acta Crystallographica Section C","2014","70","4","355","358","10.1107/S205322961400566X","","","0.71073","MoKα","","0.0306","0.0229","","","0.0511","0.0535","","","","","","1.188","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2020155","3.615","","3.615","","5.88","","90","","90","","120","","66.546","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- C O -","- C0.9996 O0.9996 -","- C1.9992 O1.9992 -","2","0.0833333","","Cromer, D.T.; Mills, R.; Schiferl, D.; le Sar, R.","Room-Temperature Structure of Carbon Monoxide at 2.7 and 3.6 GPa","Acta Crystallographica C (39,1983-)","1983","39","","1146","1150","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2020230","3.035","","3.035","","11.449","","90","","90","","120","","91.33","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cu (Fe O2)","","- Cu Fe O2 -","- Cu Fe O2 -","- Cu2 Fe2 O4 -","2","0.0833333","","Effenberger, H.","Structure of hexagonal copper(I) ferrite","Acta Crystallographica C (39,1983-)","1991","47","","2644","2646","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2020961","7.461","0.0018","7.461","0.0018","5.459","0.003","90","","90","","120","","263.17","0.17","250","2","250","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Lithium iodide trihydrate","","- H6 I Li O3 -","- H6 I Li O3 -","- H12 I2 Li2 O6 -","2","0.0833333","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0162","0.015","","","0.0378","0.038","","","","","","1.066","","","","has coordinates","205533","2020-10-21","18:00:00","" "2022343","3.66147","0.0001","3.66147","0.0001","5.35766","0.00016","90","","90","","120","","62.204","0.003","293","2","293","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Nickel selenide","","- Ni Se -","- Ni Se -","- Ni2 Se2 -","2","0.0833333","EP3012","Unoki, Kohei; Yoshiasa, Akira; Kitahara, Ginga; Nishiayama, Tadao; Tokuda, Makoto; Sugiyama, Kazumasa; Nakatsuka, Akihiko","Crystal structure refinements of stoichiometric Ni~3~Se~2~ and NiSe","Acta Crystallographica Section C","2021","77","4","169","175","10.1107/S2053229621002187","","","0.71073","MoKα","","0.0193","0.0176","","","","0.0429","","","","","","1.238","","","","has coordinates,has Fobs","264984","2021-05-06","07:09:10","" "2100227","3.183","","3.183","","7.7258","","90","","90","","120","","67.787","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","lithium peroxide","","","- Li2 O2 -","- Li2 O2 -","- Li4 O4 -","2","0.0833333","TA5012","Luis Guillermo Cota; Pablo de la Mora","On the structure of lithium peroxide, Li~2~O~2~","Acta Crystallographica Section B","2005","61","2","133","136","10.1107/S0108768105003629","","","","","","","","","","","","","","","","","","","","","has coordinates","199466","2020-10-21","18:00:00","" "2100373","32.3","","32.3","","12.4","","90","","90","","120","","11203.6","","","","293","2","","","","","","","","2","P 63/m m c","-P_6c_2c","","","","","- Al596 Cr156 -","- Al24.8333 Cr6.5 -","- Al596 Cr156 -","24","1","DR5007","Zhang, H.; He, Z.B.; Oleynikov, P.; Zou, X. D.; Hovmöller, S.; Kuo, K. H.","Structure model for the τ(μ) phase in Al‒Cr‒Si alloys deduced from the λ phase by the strong-reflections approach","Acta Crystallographica Section B","2006","62","1","16","25","10.1107/S0108768105035779","","","0.037","Electrons","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2100727","5.5929","0.0004","5.5929","0.0004","22.526","0.004","90","","90","","120","","704.63","0.14","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","","","","","- Al11 Na O17 -","- Al17 Na4 O20 -","- Al34 Na8 O40 -","2","0.0833333","AB0141","Edström, K.; Thomas, J. O.; Farrington, G. C.","Structural aspects of the Na^+^ →Cd^2+^ ion-exchange process in Na^+^ β-alumina","Acta Crystallographica Section B","1991","47","5","635","643","10.1107/S0108768191003075","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","203311","2020-10-21","18:00:00","" "2100730","5.5869","0.0004","5.5869","0.0004","22.37","0.004","90","","90","","120","","698.24","0.14","","","","","","","","","","","","3","P 63/m m c","-P 6C 2C","","","","","- Al11 Cd0.61 O17.11 -","- Al17 Cd18 O22 -","- Al34 Cd36 O44 -","2","0.0833333","AB0141","Edström, K.; Thomas, J. O.; Farrington, G. C.","Structural aspects of the Na^+^ →Cd^2+^ ion-exchange process in Na^+^ β-alumina","Acta Crystallographica Section B","1991","47","5","635","643","10.1107/S0108768191003075","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","203311","2020-10-21","18:00:00","" "2100731","5.5914","0.0003","5.5914","0.0003","22.43","0.004","90","","90","","120","","701.25","0.14","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","","","","","- Ag Al11 O17.11 -","- Ag9 Al17 O20 -","- Ag18 Al34 O40 -","2","0.0833333","AB0142","Edström, K.; Thomas, J. O.; Farrington, G. C.","A single-crystal X-ray diffraction study of the ion exchange of Cd^2+^ into Ag^+^ β-alumina","Acta Crystallographica Section B","1991","47","5","643","650","10.1107/S0108768191003130","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","203313","2020-10-21","18:00:00","" "2100732","5.6032","0.0002","5.6032","0.0002","22.504","0.003","90","","90","","120","","706.53","0.1","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","","","","","- Ag Al11 Cd O17.11 -","- Ag9 Al17 Cd3 O22 -","- Ag18 Al34 Cd6 O44 -","2","0.0833333","AB0142","Edström, K.; Thomas, J. O.; Farrington, G. C.","A single-crystal X-ray diffraction study of the ion exchange of Cd^2+^ into Ag^+^ β-alumina","Acta Crystallographica Section B","1991","47","5","643","650","10.1107/S0108768191003130","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","203313","2020-10-21","18:00:00","" "2100733","5.5959","0.0001","5.5959","0.0001","22.458","0.001","90","","90","","120","","703.25","0.04","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","","","","","- Ag Al11 Cd O17.11 -","- Ag9 Al17 Cd3 O22 -","- Ag18 Al34 Cd6 O44 -","2","0.0833333","AB0142","Edström, K.; Thomas, J. O.; Farrington, G. C.","A single-crystal X-ray diffraction study of the ion exchange of Cd^2+^ into Ag^+^ β-alumina","Acta Crystallographica Section B","1991","47","5","643","650","10.1107/S0108768191003130","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","203313","2020-10-21","18:00:00","" "2100734","5.5896","0.0001","5.5896","0.0001","22.434","0.008","90","","90","","120","","700.9","0.3","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","","","","","- Ag Al11 Cd O17.11 -","- Ag3 Al17 Cd3 O22 -","- Ag6 Al34 Cd6 O44 -","2","0.0833333","AB0142","Edström, K.; Thomas, J. O.; Farrington, G. C.","A single-crystal X-ray diffraction study of the ion exchange of Cd^2+^ into Ag^+^ β-alumina","Acta Crystallographica Section B","1991","47","5","643","650","10.1107/S0108768191003130","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","203313","2020-10-21","18:00:00","" "2100735","5.59","0.0007","5.59","0.0007","22.396","0.006","90","","90","","120","","699.8","0.2","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","","","","","- Ag Al11 Cd O17.11 -","- Ag3 Al17 Cd9 O22 -","- Ag6 Al34 Cd18 O44 -","2","0.0833333","AB0142","Edström, K.; Thomas, J. O.; Farrington, G. C.","A single-crystal X-ray diffraction study of the ion exchange of Cd^2+^ into Ag^+^ β-alumina","Acta Crystallographica Section B","1991","47","5","643","650","10.1107/S0108768191003130","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","203313","2020-10-21","18:00:00","" "2100950","8.8142","0.0006","8.8142","0.0006","9.5692","0.0009","90","","90","","120","","643.83","0.09","","","","","","","","","","","","3","P 63/m m c","","","","","","- Al12 Gd3 Ru4 -","- Al22 Gd3 Ru4 -","- Al44 Gd6 Ru8 -","2","0.0833333","DU0343","Gladyshevskii, R. E.; Strusievicz, O. R.; Cenzual, K.; Parthé, E.","Structure of Gd~3~Ru~4~Al~12~, a new member of the EuMg~5.2~ structure family with minority-atom clusters","Acta Crystallographica Section B","1993","49","3","474","478","10.1107/S0108768192011510","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2101328","2.2853","0.0003","2.2853","0.0003","3.5842","0.0002","90","","90","","120","","16.211","0.003","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","","","","","- B17 Be N2 -","- B17 Be N2 -","- B34 Be2 N4 -","2","0.0833333","AB0327","Iversen, B. B.; Larsen, F. K.; Souhassou, M.; Takata, M.","Experimental evidence for the existence of non-nuclear maxima in the electron-density distribution of metallic beryllium. A comparative study of the maximum entropy method and the multipole refinement method","Acta Crystallographica Section B","1995","51","4","580","591","10.1107/S0108768194010360","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2101568","4.3267","0.0002","4.3267","0.0002","16.5369","0.0008","90","","90","","120","","268.1","0.02","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","","","","","- Ce2 Ga15 Pt6 -","- Ce1.278 Ga9.8 Pt4 -","- Ce1.278 Ga9.8 Pt4 -","","","VS0127","Kwei, G. H.; Lawson, A. C.; Larson, A. C.; Morosin, B.; Larson, E. M.; Canfield, P. C.","Structure of Ce~2~Pt~6~Ga~15~: interplanar disorder from the Ce~2~Ga~3~ layers","Acta Crystallographica Section B","1996","52","4","580","585","10.1107/S0108768196000481","","neutron","","pulsedneutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2101569","4.335","0.01","4.335","0.01","16.564","0.007","90","","90","","120","","269.6","0.9","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","","","","","- Ce2 Ga15 Pt6 -","- Ce1.38 Ga9.83 Pt4 -","- Ce1.38 Ga9.83 Pt4 -","","","VS0127","Kwei, G. H.; Lawson, A. C.; Larson, A. C.; Morosin, B.; Larson, E. M.; Canfield, P. C.","Structure of Ce~2~Pt~6~Ga~15~: interplanar disorder from the Ce~2~Ga~3~ layers","Acta Crystallographica Section B","1996","52","4","580","585","10.1107/S0108768196000481","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2101570","4.3259","0.0005","4.3259","0.0005","16.522","0.003","90","","90","","120","","267.76","0.07","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","","","","","- Ce2 Ga15 Pt6 -","- Ce1.264 Ga9.866 Pt4 -","- Ce1.264 Ga9.866 Pt4 -","","","VS0127","Kwei, G. H.; Lawson, A. C.; Larson, A. C.; Morosin, B.; Larson, E. M.; Canfield, P. C.","Structure of Ce~2~Pt~6~Ga~15~: interplanar disorder from the Ce~2~Ga~3~ layers","Acta Crystallographica Section B","1996","52","4","580","585","10.1107/S0108768196000481","","neutron","","pulsedneutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2101866","5.59","0.0006","5.59","0.0006","22.656","0.003","90","","90","","120","","613.11","0.12","30","","298","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Al11 Li0.75 Na0.47 O17.11 -","- Al17 Li5 Na6 O22 -","- Al34 Li10 Na12 O44 -","2","0.0833333","AB0365","Edström, Kristina; Gustafsson Torbjörn; Thomas, John, O.","Li^+^/Na^+^ β-Alumina: A Combined Single-Crystal Neutron and X-ray Diffraction Study","Acta Crystallographica Section B","1997","53","4","631","638","10.1107/S0108768197006629","","","0.71073","MoKα","","0","0.0363","","0","0.0801","","","","","2.25","2.25","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2101867","5.5929","0.0006","5.5929","0.0006","22.652","0.003","90","","90","","120","","613.64","0.12","298","","298","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Al11 Li0.75 Na0.47 O17.11 -","- Al17 Li7 Na6 O22 -","- Al34 Li14 Na12 O44 -","2","0.0833333","AB0365","Edström, Kristina; Gustafsson Torbjörn; Thomas, John, O.","Li^+^/Na^+^ β-Alumina: A Combined Single-Crystal Neutron and X-ray Diffraction Study","Acta Crystallographica Section B","1997","53","4","631","638","10.1107/S0108768197006629","","","0.71073","MoKα","","0","0.0333","","0","0.079","","","","","2.06","2.06","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2102872","6.18123","0.00008","6.18123","","15.99","0.0003","90","","90","","120","","529.089","0.012","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba4 O9 Sb2 -","- Ba4 O9 Sb2 -","- Ba8 O18 Sb4 -","2","0.0833333","AV5086","Ling, Chris D.; Avdeev, Maxim; Aivazian, Karina","Synthesis, structure, and stability of the high-temperature 6H-type perovskite phase Ba~3~BaSb~2~O~9~","Acta Crystallographica Section B","2007","63","4","584","588","10.1107/S0108768107019441","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2102907","5.6611","0.0001","5.6611","","33.5672","0.0008","90","","90","","120","","931.64","0.03","293","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba7 Br Co6 O17 -","- Ba6.9998 Br1.004 Co6 O16.9998 -","- Ba13.9996 Br2.008 Co12 O33.9996 -","2","0.0833333","BP5003","Kauffmann, Matthieu; Roussel, Pascal","New oxybromide cobaltites with layered perovskite-related structures: 18R-Ba~6~Co~5~BrO~14~ and 14H-Ba~7~Co~6~BrO~17~","Acta Crystallographica Section B","2007","63","4","589","596","10.1107/S0108768107029394","","","0.71069","MoKα","","0.0534","0.0476","","","0.0653","0.066","","","","","","4.7","","","","has coordinates","176432","2020-10-21","18:00:00","" "2104028","2.6029","0.0016","2.6029","0.0016","4.162","0.009","90","","90","","120","","24.42","0.06","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","rhenium","","- Re -","- Re -","- Re2 -","2","0.0833333","WS0004","Shiraki, Koichi; Tsuchiya, Taku; Ono, Shigeaki","Structural refinements of high-pressure phases in germanium dioxide","Acta Crystallographica Section B","2003","59","6","701","708","10.1107/S0108768103021761","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00","" "2104202","9.191","0.0013","9.191","0.0013","22.011","0.004","90","","90","","120","","1610.3","0.4","382","2","382","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C18 H60 Cl18 P6 Sb4 -","- C18 Cl18 P6 Sb4 -","- C18 Cl18 P6 Sb4 -","1","0.0416667","BM5058","Gagor, Anna; Wojtaś, Maciej; Pietraszko, Adam; Jakubas, Ryszard","From six- to five-coordinated Sb^III^ in [(CH~3~)~3~PH]~3~[Sb~2~Cl~9~]: transition pathways from single-crystal X-ray diffraction","Acta Crystallographica Section B","2008","64","5","558","566","10.1107/S0108768108027353","","","0.71073","MoKα","","0.1046","0.0526","","","0.1426","0.169","","","","","","0.993","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2104357","5.797","0.003","5.797","0.003","13.301","0.003","90","","90","","120","","387.1","0.3","293","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","Bariumvandate","","","- Ba O11 V6 -","- Ba O11 V6 -","- Ba2 O22 V12 -","2","0.0833333","EB5003","Friese, Karen; Kanke, Yasushi; Grzechnik, Andrzej","Characterization of the pressure-induced second-order phase transition in the mixed-valence vanadate BaV~6~O~11~","Acta Crystallographica Section B","2009","65","3","326","333","10.1107/S010876810901444X","","","0.71073","MoKα","","0.0673","0.0367","","","0.0282","0.0314","","","","","","1.39","","","","has coordinates","176432","2020-10-21","18:00:00","" "2104358","5.785","0.003","5.785","0.003","13.266","0.004","90","","90","","120","","384.5","0.3","293","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","Bariumvandadate","","","- Ba O11 V6 -","- Ba O11 V6 -","- Ba2 O22 V12 -","2","0.0833333","EB5003","Friese, Karen; Kanke, Yasushi; Grzechnik, Andrzej","Characterization of the pressure-induced second-order phase transition in the mixed-valence vanadate BaV~6~O~11~","Acta Crystallographica Section B","2009","65","3","326","333","10.1107/S010876810901444X","","","0.71073","MoKα","","0.0984","0.0321","","","0.0246","0.0319","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00","" "2104951","5.30756","0.00008","5.30756","0.00008","6.80615","0.00004","90","","90","","120","","166.044","0.004","293","","293","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","Rubidium sulfide","","","- Rb2 S -","- Rb2 S -","- Rb4 S2 -","2","0.0833333","WH5012","Santamaria-Perez, David; Vegas, Angel; Muehle, Claus; Jansen, Martin","High-pressure experimental study on Rb~2~S: antifluorite to Ni~2~In-type phase transitions","Acta Crystallographica Section B","2011","67","2","109","115","10.1107/S010876811005370X","powder diffraction","","","MoKα","","","","","","","","","","2.2846","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2105092","14.116","0.003","14.116","0.003","28.235","0.006","90","","90","","120","","4872.4","1.8","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Al0.59 Cu0.05 Li0.26 Mg0.1 -","- Al0.553324 Cu0.0569706 Li0.269265 Mg0.120441 -","- Al150.504 Cu15.496 Li73.24 Mg32.76 -","272","11.3333","","Le Bail, A; Leblanc, M; Audier, M","Crystalline Phases Related to the Icosahedral AI-Li-Cu Phase: a Single-Crystal X-ray Diffraction Study of the Hexagonal Z-Al59Cu5Li26Mg10 Phase","Acta Crystallographica B","1991","47","","451","457","10.1107/S0108768191002306","","","","","","","","","","","","","","","","","","","","","has coordinates","208743","2020-10-21","18:00:00","" "2105331","5.59","","5.59","","22.396","","90","","90","","120","","606.073","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Silver cadmium aluminium oxide (.1/.6/11/17.1)","","- Ag0.11 Al11 Cd0.555 O17.11 -","- Ag0.111 Al11 Cd0.555 O17.1109 -","- Ag0.222 Al22 Cd1.11 O34.2218 -","2","0.0833333","","Thomas, J.O.; Farrington, G.C.; Edstroem, K.","A single-crystal x-ray diffraction study of the ion exchange of Cd2+ into Ag+ beta-alumina","Acta Crystallographica B (39,1983-)","1991","47","","643","650","","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2105332","5.5959","","5.5959","","22.458","","90","","90","","120","","609.034","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Silver cadmium aluminium oxide (.8/.2/11/17.1)","","- Ag0.81 Al11 Cd0.205 O17.11 -","- Ag0.807 Al11 Cd0.207 O17.1109 -","- Ag1.614 Al22 Cd0.414 O34.2218 -","2","0.0833333","","Edstroem, K.; Thomas, J.O.; Farrington, G.C.","A single-crystal x-ray diffraction study of the ion exchange of Cd2+ into Ag+ beta-alumina","Acta Crystallographica B (39,1983-)","1991","47","","643","650","","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2105333","5.21","","5.21","","34.4","","90","","90","","120","","808.657","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Silver magnesium zinc (0.96/16/31.04)","","- Ag0.96 Mg16 Zn31.04 -","- Ag0.96 Mg16 Zn31.04 -","- Ag0.96 Mg16 Zn31.04 -","1","0.0416667","","Komura, Y.; Tokunaga, K.","Structural studies of stacking variants in Mg-base Friauf-Laves-phases","Acta Crystallographica B (24,1968-38,1982)","1980","36","","1548","1554","10.1107/S0567740880006565","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2105335","5.5896","","5.5896","","22.434","","90","","90","","120","","607.014","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Silver cadmium aluminium oxide (.2/.5/11/17.1)","","- Ag0.23 Al11 Cd0.495 O17.11 -","- Ag0.231 Al11 Cd0.495 O17.1109 -","- Ag0.462 Al22 Cd0.99 O34.2218 -","2","0.0833333","","Thomas, J.O.; Edstroem, K.; Farrington, G.C.","A single-crystal x-ray diffraction study of the ion exchange of Cd2+ into Ag+ beta-alumina","Acta Crystallographica B (39,1983-)","1991","47","","643","650","","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2105341","3.039","","3.039","","12.395","","90","","90","","120","","99.138","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ag (Fe O2)","","- Ag Fe O2 -","- Ag Fe O2 -","- Ag2 Fe2 O4 -","2","0.0833333","","Okamoto, S.; Okamoto, S.I.; Ito, T.","The crystal structure of a new hexagonal phase of Ag Fe O2","Acta Crystallographica B (24,1968-38,1982)","1972","28","","1774","1777","10.1107/S056774087200500X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2105353","5.6032","","5.6032","","22.504","","90","","90","","120","","611.875","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ag1.12 Cd.05 Al11 O17.11","","- Ag1.12 Al11 Cd0.05 O17.11 -","- Ag1.122 Al11 Cd0.048 O17.1109 -","- Ag2.244 Al22 Cd0.096 O34.2218 -","2","0.0833333","","Farrington, G.C.; Edstroem, K.; Thomas, J.O.","A single-crystal x-ray diffraction study of the ion exchange of Cd2+ into Ag+ beta-alumina","Acta Crystallographica B (39,1983-)","1991","47","","643","650","","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2105355","5.5914","","5.5914","","22.43","","90","","90","","120","","607.297","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ag1.22 Al11 O17.11 -","- Ag1.221 Al11 O17.111 -","- Ag2.442 Al22 O34.222 -","2","0.0833333","","Edstroem, K.; Thomas, J.O.; Farrington, G.C.","A single-crystal x-ray diffraction study of the ion exchange of Cd2+ into Ag+ beta-alumina","Acta Crystallographica B (39,1983-)","1991","47","","643","650","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2105376","5.569","","5.569","","9.0775","","90","","90","","120","","243.81","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ag5 La -","- Ag5 La -","- Ag10 La2 -","2","0.0833333","","McMasters, O.D.; Venteicher, R.F.; Gschneidner, K.A.jr.","Crystallography of the silver-rich rare earth-silver intermetallic compounds","Acta Crystallographica B (24,1968-38,1982)","1970","26","","1224","1229","10.1107/S0567740870003928","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2105469","13.512","0.0018","13.512","0.0018","39.022","0.005","90","","90","","120","","6169.9","1.4","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al220.86 Cu13.7 Ta150 -","- Al220.844 Cu13.704 Ta149.96 -","- Al220.844 Cu13.704 Ta149.96 -","1","0.0416667","SN5123","Dshemuchadse, Julia; Bigler, Sandro; Simonov, Arkadiy; Weber, Thomas; Steurer, Walter","A new complex intermetallic phase in the system Al‒Cu‒Ta with familiar clusters and packing principles","Acta Crystallographica Section B","2013","69","3","238","248","10.1107/S2052519213012761","","","0.70926","MoKα1","","0.0296","0.0286","","","0.0614","0.0631","","","","","","1.221","","","","has coordinates","176435","2020-10-21","18:00:00","" "2105555","8.368","0.0007","8.368","0.0007","19.13687","0.00004","90","","90","","120","","1160.5","0.14","18","","18","","","","","","","","","3","P 63/m m c","-P 6c 2c","","","lanthanum molybdenum oxide","","- La Mo2 O5 -","- La Mo2 O5 -","- La12 Mo24 O60 -","12","0.5","BR0083","Hibble, Simon J.; Cooper, Steven P.; Patat, Saban; Hannon, Alex C.","Total neutron diffraction: a route to the correct local structure of disordered LaMo~2~O~5~ and its application to the model compound Zn~2~Mo~3~O~8~","Acta Crystallographica Section B","1999","55","5","683","697","10.1107/S0108768199004103","","neutron","","neutron","","0.056","","","0.048","","","","","","","","","","","","has coordinates","281832","2023-03-13","07:47:31","" "2105806","12.8297","0.0002","12.8297","0.0002","57.286","0.001","90","","90","","120","","8166.1","0.2","300","2","300","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Fe13 Zn126 -","- Fe13 Zn126 -","- Fe52 Zn504 -","4","0.166667","DK5020","Okamoto, Norihiko L.; Tanaka, Katsushi; Yasuhara, Akira; Inui, Haruyuki","Structure refinement of the δ~1p~ phase in the Fe‒Zn system by single-crystal X-ray diffraction combined with scanning transmission electron microscopy","Acta Crystallographica Section B","2014","70","2","275","282","10.1107/S2052520613034410","","","0.3545","Synchrotron","","0.0387","0.0314","","","0.1197","0.1272","","","","","","1.025","","","","has coordinates","176768","2020-10-21","18:00:00","" "2106036","8.2424","","8.2424","","16.412","","90","","90","","120","","965.605","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs (U6 F25)","","- Cs F25 U6 -","- Cs F25 U6 -","- Cs2 F50 U12 -","2","0.0833333","","Brunton, G.","The crystal structure of Cs U6 F25","Acta Crystallographica B (24,1968-38,1982)","1971","27","","245","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2106100","4.824","","4.824","","15.826","","90","","90","","120","","318.945","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mg Ni2 -","- Mg Ni2 -","- Mg8 Ni16 -","8","0.333333","","Komura, Y.; Tokunaga, K.","Structural studies of stacking variants in Mg-base Friauf- Laves phases","Acta Crystallographica B (24,1968-38,1982)","1980","36","","1548","1554","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2106107","10.5","","10.5","","28.251","","90","","90","","120","","2697.39","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mg38 Sr9 -","- Mg38 Sr9 -","- Mg76 Sr18 -","2","0.0833333","","Merlo, F.; Fornasini, M.L.","Sr9 Sr38: Structural redetermination of Sr Mg4","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1797","1798","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2106137","5.03","","5.03","","24.62","","90","","90","","120","","539.454","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Co7 Th2 -","- Co7 Th2 -","- Co28 Th8 -","4","0.166667","","Buschow, K.H.J.","The crystal structure of Th2 Co7","Acta Crystallographica B (24,1968-38,1982)","1970","26","","1389","1392","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2106145","10.395","","10.395","","10.746","","90","","90","","120","","1005.6","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Eu Mg5.2 -","- Eu Mg5.23 -","- Eu6 Mg31.38 -","6","0.25","","Erassme, J.; Lueken, H.","Strontium and europium polynuclear units in intermetallic compounds with magnesium. Structural refinements and relationships","Acta Crystallographica B (39,1983-)","1987","43","","244","250","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2106146","10.465","","10.465","","28.166","","90","","90","","120","","2671.37","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Eu Mg13 Sr2 -","- Eu0.99 Mg13 Sr2.01 -","- Eu5.94 Mg78 Sr12.06 -","6","0.25","","Erassme, J.; Lueken, H.","Strontium and europium polynuclear units in intermetallic compounds with magnesium. Structural refinements and relationships","Acta Crystallographica B (39,1983-)","1987","43","","244","250","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2106173","5.9","","5.9","","8.11","","90","","90","","120","","244.487","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","K2 (S O4)","","- K1.9996 O4 S0.5 -","- K1.9996 O4 S -","- K3.9992 O8 S2 -","2","0.0833333","","van den Berg, A.J.; Tuinstra, F.","The space group and structure of alpha-K2 S O4","Acta Crystallographica B (24,1968-38,1982)","1978","34","","3177","3181","","","","","","","","","","","","","","","","","","","","","","has coordinates","146535","2020-10-21","18:00:00","" "2106221","4.4269","","4.4269","","5.815","","90","","90","","120","","98.692","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Na2 S -","- Na2 S -","- Na4 S2 -","2","0.0833333","","Vegas, A.; Grzechnik, A.; Jansen, M.; Hanfland, M.; Loa, I.; Syassen, K.","Reversible phase transitions in Na2 S under pressure: a comparison with the cation array in Na2 S O4","Acta Crystallographica B (39,1983-)","2001","57","","151","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2106275","8.404","","8.404","","21.183","","90","","90","","120","","1295.66","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs3 (I3 (Bi I3)2)","","- Bi2 Cs3 I9 -","- Bi2 Cs3 I9 -","- Bi4 Cs6 I18 -","2","0.0833333","","Chabot, B.; Parthe, E.","Cs3 Sb2 I9 and Cs3 Bi2 I9 with the hexagonal Cs3 Cr2 Cl9 structure type","Acta Crystallographica B (24,1968-38,1982)","1978","34","","645","648","","","","","","","","","","","","","","","","","","","","","","has coordinates","148644","2020-10-21","18:00:00","" "2106287","12.404","","12.404","","26.234","","90","","90","","120","","3495.57","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al167.8 Fe44.9 Si23.9 -","- Al168.37 Fe45.82 Si24.048 -","- Al168.37 Fe45.82 Si24.048 -","1","0.0416667","","Corby, R.N.; Black, P.J.","The structure of alpha-(Al Fe Si) by anomalous dispersion methods","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3468","3475","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2106323","7.56","","7.56","","6.35","","90","","90","","120","","314.303","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Rb (Mn Br3)","","- Br3 Mn Rb -","- Br3 Mn Rb -","- Br6 Mn2 Rb2 -","2","0.0833333","","Goodyear, J.; Ali, E.M.; Sutherland, H.H.","Rubidium tribromomanganate","Acta Crystallographica B (24,1968-38,1982)","1980","36","","671","672","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2106432","13.252","","13.252","","14.81","","90","","90","","120","","2252.42","","","","","","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","K1.6 Ca2 (Na0.9 Mg0.7 Ca0.4) (Al9.1 Si26.9 O72)","","- Al9.1 Ca2.4 K1.6 Mg0.7 Na0.9 O72 Si26.9 -","- Al9.108 Ca2.4 K1.6002 Mg0.7 Na0.9 O72 Si26.892 -","- Al9.108 Ca2.4 K1.6002 Mg0.7 Na0.9 O72 Si26.892 -","1","0.0416667","","Schlenker, J.L.; Pluth, J.J.; Smith, J.V.","Dehydrated natural erionite with stacking faults of the offretite type","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3265","3268","","","","","","","","","","","","","","","","","","","","","","has coordinates","149896","2020-10-21","18:00:00","" "2106570","7.541","","7.541","","13.955","","90","","90","","120","","687.256","","","","","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","La (Fe (C N)6) (H2 O)4","","- C6 H8 Fe La N6 O4 -","- C6 Fe La N6 O4.0001 -","- C12 Fe2 La2 N12 O8.0002 -","2","0.0833333","","Mullica, D.F.; Milligan, W.O.; Garner, R.L.","Refined crystal structure of lanthanum hexacyanoferrate(III) tetrahydrate","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2561","2564","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2106603","5.629","","5.629","","4.811","","90","","90","","120","","132.017","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba Ni O3 -","- Ba Ni O3 -","- Ba2 Ni2 O6 -","2","0.0833333","","Takeda, Y.; Kanamaru, F.; Shimada, M.; Koizumi, M.","Crystal structure of Ba Ni O3","Acta Crystallographica B (24,1968-38,1982)","1976","32","","2464","2466","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2106760","5.6","","5.6","","22.702","","90","","90","","120","","616.554","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Al2 O3)11 (H2 O)1.79","","- Al22 H3.58 O34.79 -","- Al22 O34.784 -","- Al22 O34.784 -","1","0.0416667","","Kato, K.; Saalfeld, H.","Alkalifreies wasserhaltiges beta-Al2 O3","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1596","1598","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2106764","3.952","","3.952","","17.244","","90","","90","","120","","233.24","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Cu Se -","- Cu Se -","- Cu6 Se6 -","6","0.25","","Milman, V.","Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling","Acta Crystallographica B (39,1983-)","2002","58","","437","447","10.1107/S0108768102003269","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2106765","3.85","","3.85","","16.555","","90","","90","","120","","212.511","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Cu Se -","- Cu Se -","- Cu6 Se6 -","6","0.25","","Milman, V.","Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling","Acta Crystallographica B (39,1983-)","2002","58","","437","447","10.1107/S0108768102003269","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2106766","3.778","","3.778","","15.908","","90","","90","","120","","196.639","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Cu Se -","- Cu Se -","- Cu6 Se6 -","6","0.25","","Milman, V.","Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling","Acta Crystallographica B (39,1983-)","2002","58","","437","447","10.1107/S0108768102003269","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2106767","3.658","","3.658","","15.106","","90","","90","","120","","175.052","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Cu Se -","- Cu Se -","- Cu6 Se6 -","6","0.25","","Milman, V.","Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling","Acta Crystallographica B (39,1983-)","2002","58","","437","447","10.1107/S0108768102003269","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2106768","3.604","","3.604","","14.597","","90","","90","","120","","164.196","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Cu Se -","- Cu Se -","- Cu6 Se6 -","6","0.25","","Milman, V.","Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling","Acta Crystallographica B (39,1983-)","2002","58","","437","447","10.1107/S0108768102003269","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2106769","3.706","","3.706","","12.046","","90","","90","","120","","143.28","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Cu Se -","- Cu Se -","- Cu6 Se6 -","6","0.25","","Milman, V.","Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling","Acta Crystallographica B (39,1983-)","2002","58","","437","447","10.1107/S0108768102003269","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2106770","3.691","","3.691","","11.442","","90","","90","","120","","134.996","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Cu Se -","- Cu Se -","- Cu6 Se6 -","6","0.25","","Milman, V.","Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling","Acta Crystallographica B (39,1983-)","2002","58","","437","447","10.1107/S0108768102003269","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2106861","7.757","","7.757","","17.804","","90","","90","","120","","927.76","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs3 Mo2 Br8","","- Br8 Cs3 Mo2 -","- Br8.1 Cs3 Mo2 -","- Br16.2 Cs6 Mo4 -","2","0.0833333","","Cotton, F.A.; Frenz, B.A.; Mester, Z.C.","The structure of tricesium octabromodimolybdate, an example of a space group ambiguity","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1515","1519","","","","","","","","","","","","","","","","","","","","","","has coordinates","161054","2020-10-21","18:00:00","" "2106865","7.257","","7.257","","6.238","","90","","90","","120","","284.505","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs Cr Cl3","","- Cl3 Cr Cs -","- Cl2.9997 Cr Cs -","- Cl5.9994 Cr2 Cs2 -","2","0.0833333","","Crama, W.J.; Zandbergen, H.W.","The jahn-teller effect in the structures of cesium chromium(II) trichloride and cesium chromium(II) triiodide","Acta Crystallographica B (24,1968-38,1982)","1981","37","","1027","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2106866","8.107","","8.107","","6.917","","90","","90","","120","","393.703","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs Cr I3","","- Cr Cs I3 -","- Cr Cs I2.9997 -","- Cr2 Cs2 I5.9994 -","2","0.0833333","","Crama, W.J.; Zandbergen, H.W.","The Jahn-Teller Effect in the Structures of Cesium Chromium(II) Trichloride and Cesium Chromium(II) Triiodide","Acta Crystallographica B (24,1968-38,1982)","1981","37","","1027","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2106868","14.31","","14.31","","14.05","","90","","90","","120","","2491.65","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Gd2.17 Zn10.67 -","- Gd2.16667 Zn10.6667 -","- Gd26 Zn128 -","12","0.5","","Cromer, D.T.; Larson, A.C.","On the structures of Y2 Zn9, Gd2 Zn9, and related compounds","Acta Crystallographica B (24,1968-38,1982)","1972","28","","1016","1022","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2106869","14.24","","14.24","","14","","90","","90","","120","","2458.55","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Y2.103 Zn9.78 -","- Y2.10333 Zn9.78 -","- Y25.24 Zn117.36 -","12","0.5","","Cromer, D.T.; Larson, A.C.","On the structures of Y2 Zn9, Gd2 Zn9 and related compounds","Acta Crystallographica B (24,1968-38,1982)","1972","28","","1016","1022","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2107019","4.917","","4.917","","24.04","","90","","90","","120","","503.345","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Mg (Ni0.45 Cu0.55)2","","- Cu1.1 Mg Ni0.9 -","- Cu1.1 Mg Ni0.9 -","- Cu13.2 Mg12 Ni10.8 -","12","0.5","","Komura, Y.; Nakaue, A.; Mitarai, M.","Crystal structure of a new stacking variant of a Friauf-Laves phase in the system Mg-Cu-Ni","Acta Crystallographica B (24,1968-38,1982)","1972","28","","727","732","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2107055","5.683","","5.683","","13.916","","90","","90","","120","","389.225","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba Fe O2.67 -","- Ba Fe O2.67 -","- Ba6 Fe6 O16.02 -","6","0.25","","Lucchini, E.; Meriani, S.; Minichelli, D.","An X-ray study of two phases of Ba Fe O3-x","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1217","1219","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2107145","4.062","","4.062","","16.693","","90","","90","","120","","238.531","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Y F S","","- F S Y -","- F S Y -","- F4 S4 Y4 -","4","0.166667","","Rysanek, N.; Loye, O.","Structure cristalline de Y S F (beta)","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1567","1569","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2107220","5.5869","","5.5869","","22.37","","90","","90","","120","","604.698","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cd0.61 Al11 O17.11","","- Al11 Cd0.61 O17.11 -","- Al11.0002 Cd0.615 O17.1109 -","- Al22.0004 Cd1.23 O34.2218 -","2","0.0833333","","Edstroem, K.; Thomas, J.O.; Farrington, G.C.","Structural aspects of the Na+ -> Cd2+ ion-exchange process in Na+ beta-alumina","Acta Crystallographica B (39,1983-)","1991","47","","635","643","","","","","","","","","","","","","","","","","","","","","","has coordinates","168623","2020-10-21","18:00:00","" "2107389","11.8395","","11.8395","","6.8012","","90","","90","","120","","825.625","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","(Pr (H2 O)9) (Br O3)3","","- Br3 H18 O18 Pr -","- Br3 H18 O18 Pr -","- Br6 H36 O36 Pr2 -","2","0.0833333","","Albertsson, J.; Elding, L.I.","The geometry of the nonaaqualanthanoid(3+) complex in the solid bromates and ethyl sulphates","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1460","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2107390","11.7056","","11.7056","","6.6474","","90","","90","","120","","788.805","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","(Yb (H2 O)9) (Br O3)3","","- Br3 H18 O18 Yb -","- Br3 H18 O18 Yb -","- Br6 H36 O36 Yb2 -","2","0.0833333","","Albertsson, J.; Elding, L.I.","The geometry of the nonaaqualanthanoid(3+) complex in the solid bromates and ethyl sulphates","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1460","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2200086","4.8982","0.001","4.8982","0.001","9.014","0.003","90","","90","","120","","187.29","0.08","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba Li Sb -","- Ba Li Sb -","- Ba2 Li2 Sb2 -","2","0.0833333","BR6002","Monconduit, Laure; Belin, Claude","A new ternary antimonide phase, LiBaSb","Acta Crystallographica Section E","2001","57","3","i17","i18","10.1107/S160053680100201X","","","0.71069","MoKα","","0.0235","0.0219","","","","0.0546","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00","" "2200818","4.7461","0.0006","4.7461","0.0006","9.3075","0.0011","90","","90","","120","","181.57","0.04","293","2","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Au Ba Sb -","- Au Ba Sb -","- Au2 Ba2 Sb2 -","2","0.0833333","BR6041","Lee, Eun Kwang; Miller, Gordon J.; Kang, Sung Kwon","The intermetallic compound BaAuSb","Acta Crystallographica Section E","2002","58","2","i17","i18","10.1107/S1600536802000569","","","0.71073","MoKα","","","0.0326","","","","0.0818","","","","","","1.137","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200912","4.9423","0.0007","4.9423","0.0007","9.1251","0.0018","90","","90","","120","","193.03","0.05","293","2","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ag Ba Bi -","- Ag Ba Bi -","- Ag2 Ba2 Bi2 -","2","0.0833333","MG6001","Kang, Sung Kwon; Miller, Gordon J.","The intermetallic compound BaAgBi","Acta Crystallographica Section E","2002","58","3","i21","i22","10.1107/S1600536802001721","","","0.71073","MoKα","","","0.0375","","","","0.1022","","","","","","1.155","","","","has coordinates","176774","2020-10-21","18:00:00","" "2201014","4.2527","0.0005","4.2527","0.0005","5.4443","0.0006","90","","90","","120","","85.271","0.017","295","2","295","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","vanadium nickel antimonide","vanadium nickel antimonide","","- Ni0.26 Sb V -","- Ni0.26 Sb V -","- Ni0.52 Sb2 V2 -","2","0.0833333","BR6047","Lewis, Chad A.; Wang, Meitian; Mar, Arthur","Vanadium nickel antimonide, VNi~0.26(2)~Sb","Acta Crystallographica Section E","2002","58","5","i39","i40","10.1107/S1600536802007547","","","0.71073","MoKα","","0.0578","0.0578","","","0.1145","0.1145","","","","","","1.325","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2202293","3.3572","0.0005","3.3572","0.0005","12.912","0.003","90","","90","","120","","126.03","0.04","150","2","150","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Li0.7 Nb S2 -","- Li0.7 Nb S2 -","- Li1.4 Nb2 S4 -","2","0.0833333","BR6107","Salyer, Pamela A.; Barker, Marten G.; Gregory, Duncan H.; Jones, Martin O.; Wilson, Claire","Li~0.7~NbS~2~: structural effects of increased alkali metal content","Acta Crystallographica Section E","2003","59","8","i112","i115","10.1107/S1600536803014855","","","0.71073","MoKα","","0.017","0.0158","","","0.0466","0.0474","","","","","","1.584","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "2205175","4.1539","0.0003","4.1539","0.0003","16.508","0.002","90","","90","","120","","246.68","0.04","153","2","153","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cesium ytterbium diselenide","","- Cs Se2 Yb -","- Cs Se2 Yb -","- Cs2 Se4 Yb2 -","2","0.0833333","WM6047","Deng, Bin; Ibers, James A.","CsYbSe~2~","Acta Crystallographica Section E","2005","61","2","i15","i17","10.1107/S1600536805001157","","","0.71073","MoKα","","0.0208","0.0186","","","0.0405","0.0408","","","","","","1.703","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2207375","4.9512","0.0005","4.9512","0.0005","8.7874","0.0013","90","","90","","120","","186.56","0.04","165","0.1","165","0.1","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Trisodium phosphide","","- Na3 P -","- Na3 P -","- Na6 P2 -","2","0.0833333","WM6094","Yongkwan Dong; Francis J. DiSalvo","Reinvestigation of Na~3~P based on single-crystal data","Acta Crystallographica Section E","2005","61","11","i223","i224","10.1107/S1600536805031168","","","0.71073","MoKα","","0.0603","0.0386","","","0.0786","0.084","","","","","","1.133","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2207875","6.318","0.003","6.318","0.003","4.583","0.005","90","","90","","120","","158.4","0.2","120","2","120","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","samarium aluminium germanium","","- Al2.65 Ge0.35 Sm -","- Al2.643 Ge0.357 Sm -","- Al5.286 Ge0.714 Sm2 -","2","0.0833333","SG6046","Xia, Sheng-Qing; Lins, Daniel; Bobev, Svilen","SmAl~2.64(4)~Ge~0.36(4)~, with the hexagonal Ni~3~Sn structure type","Acta Crystallographica Section E","2006","62","1","i10","i12","10.1107/S1600536805040882","","","0.71073","MoKα","","0.0215","0.0198","","","0.051","0.0516","","","","","","1.14","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2208600","4.2929","0.0008","4.2929","0.0008","16.276","0.006","90","","90","","120","","259.76","0.12","120","2","120","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","uranium diplatinum pentaaluminium","","- Al5 Pt2 U0.67 -","- Al5.047 Pt2 U0.67 -","- Al10.094 Pt4 U1.34 -","2","0.0833333","HB2014","Bobev, Svilen; Bauer, Eric D.; Sarrao, John L.","Uranium and aluminium order‒disorder in U~1{-~x}Pt~2~Al~7{-~6x} [x = 0.33(1)]","Acta Crystallographica Section E","2006","62","4","i77","i79","10.1107/S1600536806007288","","","0.71073","MoKα","","0.025","0.0199","","","0.0383","0.0392","","","","","","1.086","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2208747","4.9855","0.0003","4.9855","0.0003","20.317","0.002","90","","90","","120","","437.33","0.06","120","2","120","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","uranium pentacopper stannide","","- Cu4.63 Sn U -","- Cu4.6275 Sn U -","- Cu18.51 Sn4 U4 -","4","0.166667","WM2010","Bobev, Svilen; Bauer, Eric D.; Sarrao, John L.","Copper deficiency in UCu~5{-~x}Sn [x = 0.37(1)]","Acta Crystallographica Section E","2006","62","4","i106","i108","10.1107/S1600536806011159","","","0.71073","MoKα","","0.0314","0.0287","","","0.0759","0.0788","","","","","","1.165","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2209030","11.7237","0.0016","11.7237","0.0016","6.6855","0.0009","90","","90","","120","","795.78","0.19","291","2","291","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Nonaaquayttrium(III) tris[bromate(V)]","","- Br3 H18 O18 Y -","- Br3 H18 O18 Y -","- Br6 H36 O36 Y2 -","2","0.0833333","WM2008","Alireza Abbasi; Eriksson, Lars","Nonaaquayttrium(III) tris(bromate)","Acta Crystallographica Section E","2006","62","5","m126","m128","10.1107/S1600536806014176","","","0.71073","MoKα","","0.0335","0.0285","","","0.0726","0.0886","","","","","","1.234","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2212776","11.1991","0.0016","11.1991","0.0016","6.9696","0.0014","90","","90","","120","","757","0.2","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","catena-poly[[silver(I)-μ-1,4-diazabicyclo[2.2.2]octane-κ^2^N:N'] 3,5-dinitro-2-hydroxybenzoate]","","- C13 H15 Ag N4 O7 -","- C13.02 H12 Ag N3.983 O7.08 -","- C26.04 H24 Ag2 N7.966 O14.16 -","2","0.0833333","BQ2001","Yang Qu; Jin Wu","The infinite one-dimensional chain polymer catena-poly[[silver(I)-μ-1,4-diazabicyclo[2.2.2]octane-κ^2^N:N'] 2-hydroxy-3,5-dinitrobenzoate]]","Acta Crystallographica Section E","2007","63","4","m1063","m1065","10.1107/S1600536807010835","","","0.71073","MoKα","","0.0333","0.0321","","","0.0837","0.0872","","","","","","1.002","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "2212780","4.2286","0.0003","4.2286","0.0003","7.5566","0.0013","90","","90","","120","","117.02","0.02","167","0.1","167","0.1","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Trilithium phosphide","","- Li3 P -","- Li3 P -","- Li6 P2 -","2","0.0833333","BR2030","Yongkwan Dong; Francis J. DiSalvo","Reinvestigation of trilithium phosphide, Li~3~P","Acta Crystallographica Section E","2007","63","4","i97","i98","10.1107/S1600536807008422","","","0.71073","MoKα","","0.0182","0.0154","","","0.0337","0.0344","","","","","","1.231","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00","" "2213597","5.9787","0.0003","5.9787","0.0003","24.796","0.003","90","","90","","120","","767.58","0.11","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Pentabarium ditantalum dichloride nonaoxide","","- Ba5 Cl2 O9 Ta2 -","- Ba5 Cl2 O9 Ta2 -","- Ba10 Cl4 O18 Ta4 -","2","0.0833333","WM2105","Barnes, Andrew D. J.; Francesconi, M. Grazia; Prior, Timothy J.","A synchrotron study of Ba~5~Ta~2~Cl~2~O~9~","Acta Crystallographica Section E","2007","63","5","i127","i128","10.1107/S1600536807016790","","","0.7848","synchrotron","","0.0385","0.0354","","","0.0866","0.0883","","","","","","1.118","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00","" "2219662","6.088","0.0002","6.088","0.0002","14.1049","0.0006","90","","90","","120","","452.74","0.03","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","barium cobalt tin oxide","barium cobalt stannate","","- Ba Co2 O11 Sn4 -","- Ba Co2.008 O11 Sn3.992 -","- Ba2 Co4.016 O22 Sn7.984 -","2","0.0833333","MG2057","Yamane, Hisanori; Ono, Takeshi; Yamada, Takahiro","R-Ferrite-type barium cobalt stannate, BaCo~2~Sn~4~O~11~","Acta Crystallographica Section E","2008","64","10","i71","","10.1107/S1600536808030572","","","0.71075","MoKα","","0.0197","0.0181","","","0.0407","0.0411","","","","","","1.128","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00","" "2220942","7.517","0.0011","7.517","0.0011","36.34","0.007","90","","90","","120","","1778.3","0.5","294","2","294","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","caesium tantalate(V)","","- Cs10 O78 Ta29.27 -","- Cs10 O78 Ta29.266 -","- Cs10 O78 Ta29.266 -","1","0.0416667","WM2217","Zeuner, Martin; Hofer, Alexander; Schnick, Wolfgang","Cs~10~Ta~29.27~O~78~","Acta Crystallographica Section E","2009","65","2","i12","","10.1107/S1600536809002967","","","0.71073","MoKα","","0.0506","0.0333","","","0.0764","0.0825","","","","","","0.893","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00","" "2224480","6.3993","0.0005","6.3993","0.0005","16.487","0.0015","90","","90","","120","","584.71","0.08","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Tricaesium bromide dimolybdate","","- Br Cs3 Mo2 O7 -","- Br Cs3 Mo2 O7 -","- Br2 Cs6 Mo4 O14 -","2","0.0833333","WM2275","Pakhomova, Anna S.; Krivovichev, Sergey V.","Tricaesium dimolybdate(VI) bromide","Acta Crystallographica Section E","2009","65","12","i87","","10.1107/S1600536809046297","","","0.71073","MoKα","","0.0258","0.025","","","0.062","0.0623","","","","","","1.179","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00","" "2237276","8.5253","0.0004","8.5253","0.0004","10.8039","0.0006","90","","90","","120","","680.03","0.06","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Tricalcium germanium bis(sulfate) hexahydroxide trihydrate","","- Ca3 Ge H12 O17 S2 -","- Ca3 Ge H12 O17 S2 -","- Ca6 Ge2 H24 O34 S4 -","2","0.0833333","BR2217","Origlieri, Marcus J.; Downs, Robert T.","Schaurteite, Ca~3~Ge(SO~4~)~2~(OH)~6~·3H~2~O","Acta Crystallographica Section E","2013","69","2","i6","","10.1107/S1600536812050945","","","0.71073","MoKα","","0.0307","0.0219","","","0.0426","0.045","","","","","","1.146","","","","has coordinates","176798","2020-10-21","18:00:00","" "2239772","4.944","0.001","4.944","0.001","24.129","0.006","90","","90","","120","","510.77","0.19","293","2","293","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Diterbium heptanickel","","- Ni7 Tb1.96 -","- Ni7 Tb1.962 -","- Ni28 Tb7.848 -","4","0.166667","FJ2679","Levytskyy, Volodymyr; Babizhetskyy, Volodymyr; Kotur, Bohdan; Smetana, Volodymyr","Diterbium heptanickel: a crystal structure redetermination","Acta Crystallographica Section E Structure Reports Online","2014","70","8","i42","","10.1107/S1600536814015384","","","0.71073","MoKα","","0.049","0.0245","","","0.0353","0.0407","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00","" "2242228","6.835","0.0006","6.835","0.0006","5.8318","0.0005","90","","90","","120","","235.94","0.04","297","2","297","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium copper(II) tantalum(V) trisulfide","","- Ba Cu0.34 S3 Ta0.66 -","- Ba Cu0.3334 S3 Ta0.6666 -","- Ba2 Cu0.6668 S6 Ta1.3332 -","2","0.0833333","WM5362","Bu, Kejun; He, Jianqiao; Wang, Dong; Zheng, Chong; Huang, Fuqiang","Crystal structure of the mixed-metal trisulfide BaCu~1/3~Ta~2/3~S~3~","Acta Crystallographica Section E","2017","73","5","713","715","10.1107/S2056989017005266","","","0.71073","MoKα","","0.0507","0.0425","","","0.1071","0.1126","","","","","","1.248","","","","has coordinates,has Fobs","199193","2020-10-21","18:00:00","" "2243590","7.1512","0.0003","7.1512","0.0003","6.3639","0.0003","90","","90","","120","","281.85","0.02","100.01","","100.01","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Thallium(I) iodide oxide","","- I O Tl3 -","- I O Tl3 -","- I2 O2 Tl6 -","2","0.0833333","PK2648","Albrecht, Ralf; Menning, Heinrich; Doert, Thomas; Ruck, Michael","Hydroflux synthesis and crystal structure of Tl~3~IO","Acta Crystallographica Section E","2020","76","10","1638","1640","10.1107/S2056989020012359","","","0.71073","MoKα","","0.0216","0.0176","","","0.0403","0.0413","","","","","","1.29","","","","has coordinates,has Fobs","256383","2020-10-21","18:00:00","" "2243618","7.0228","0.0004","7.0228","0.0004","17.4934","0.0015","90","","90","","120","","747.18","0.09","290","2","290","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Thallium magnesium trichloride","","- Cl3 Mg Tl -","- Cl3 Mg Tl -","- Cl18 Mg6 Tl6 -","6","0.25","HB7945","Onken, Drew R.; Perrodin, Didier; Vogel, Sven C.; Bourret, Edith D.; Moretti, Federico","The crystal structure of TlMgCl~3~ from 290K to 725K","Acta Crystallographica Section E","2020","76","11","1716","1719","10.1107/S2056989020013201","","","0.71073","MoKα","","0.0627","0.0466","","","0.1088","0.1125","","","","","","1.417","","","","has coordinates,has Fobs","258226","2020-10-21","18:00:00","" "2300162","3.63011","0.00004","3.63011","","11.3535","0.00017","90","","90","","120","","129.569","0.002","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Mn O3 Y -","- Mn O3 Y -","- Mn2 O6 Y2 -","2","0.0833333","KO5041","Jeong, Il-Kyoung; Hur, N.; Proffen, Th.","High-temperature structural evolution of hexagonal multiferroic YMnO~3~ and YbMnO~3~","Journal of Applied Crystallography","2007","40","4","730","734","10.1107/S0021889807025101","powder diffraction","neutron","","","","","","","","","","0.25865","","3","","","","","","","has coordinates","176809","2020-10-21","18:00:00","" "2300518","3.463","","3.463","","5.539","","90","","90","","120","","57.526","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","","- Tl -","- Tl -","- Tl2 -","2","0.0833333","","Olsen, J.S.; Johnson, E.; Geward, L.; Steenstrup, S.","A high-pressure study of thallium","Journal of Applied Crystallography","1994","27","","1002","1005","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2300548","3.803","","3.803","","5.651","","90","","90","","120","","70.78","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Pd (Pb0.2 As0.8)","","- As0.8 Pb0.2 Pd -","- As0.8 Pb0.2 Pd -","- As1.6 Pb0.4 Pd2 -","2","0.0833333","","Ellner, M.; Kattner, U.; Predel, B.","Kristallstrukturdaten von Pd Pb0.2 As0.8 (m).","Journal of Applied Crystallography","1983","16","","277","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2300704","4.193","","4.193","","6.752","","90","","90","","120","","102.805","","300","","300","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mn Te -","- Mn Te -","- Mn2 Te2 -","2","0.0833333","","Hamilton, Parker K.; Moya, Jaime M.; Hallas, Alannah M.; Morosan, E.; Baral, Raju; Frandsen, Benjamin A.","Symmetry-mode analysis for local structure investigations using pair distribution function data","Journal of Applied Crystallography","2023","56","4","","","10.1107/S1600576723005794","powder diffraction","","1.242","neutrons","","","","","","","","","0.147","","","","","","","","has coordinates","285348","2023-07-26","02:03:25","" "2310090","2.9","","2.9","","7.478","","90","","90","","120","","54.464","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Re B2","","- B2 Re -","- B2 Re -","- B4 Re2 -","2","0.0833333","","Post, B.; la Placa, S.J.","The crystal structure of rhenium diboride","Acta Crystallographica (1,1948-23,1967)","1962","15","","97","99","10.1107/S0365110X62000298","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2310108","5.2","","5.2","","6.34","","90","","90","","120","","148.466","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","W B4","","- B4 W -","- B4 W -","- B16 W4 -","4","0.166667","","Krug, M.P.; Romans, P.A.","Composition and crystallographic data for the highest boride of tungsten","Acta Crystallographica (1,1948-23,1967)","1966","20","","313","315","10.1107/S0365110X6600063X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2310166","4.966","","4.966","","8.252","","90","","90","","120","","176.24","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ni2 U -","- Ni2 U -","- Ni8 U4 -","4","0.166667","","Baenziger, N.C.; Rundle, R.E.; Wilson, A.S.; Snow, A.I.","Compounds of uranium with the transition metals of the first long period","Acta Crystallographica (1,1948-23,1967)","1950","3","","34","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310174","5.319","","5.319","","8.838","","90","","90","","120","","216.543","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Gd Os2 -","- Gd Os2 -","- Gd4 Os8 -","4","0.166667","","Compton, V.B.; Matthias, B.T.","Laves phase compounds of rare-earths and hafnium with noble metals","Acta Crystallographica (1,1948-23,1967)","1959","12","","651","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310196","8.37","","8.37","","8.14","","90","","90","","120","","493.862","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ni17 Th2 -","- Ni17 Th2 -","- Ni34 Th4 -","2","0.0833333","","Florio, J.V.; Baenziger, N.C.; Rundle, R.E.","Compounds of thorium with transition metals. 2. Systems with iron, cobalt and nickel","Acta Crystallographica (1,1948-23,1967)","1956","9","","367","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310205","5.52","","5.52","","22.43","","90","","90","","120","","591.886","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Pd0.67 Rh0.33)3 Ta","","- Pd2.01 Rh0.99 Ta -","- Pd2.01 Rh0.99 Ta -","- Pd20.1 Rh9.9 Ta10 -","10","0.416667","","Giessen, B.C.; Grant, N.J.","New intermediate phases in transition metal systems. II","Acta Crystallographica (1,1948-23,1967)","1965","18","","1080","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310208","5.769","","5.769","","9.64","","90","","90","","120","","277.849","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Pd3 U -","- Pd3 U -","- Pd12 U4 -","4","0.166667","","Hael, T.J.; Williams, G.I.","Compounds of uranium with the transition metals of the second and third long period","Acta Crystallographica (1,1948-23,1967)","1955","8","","494","498","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310209","5.764","","5.764","","4.899","","90","","90","","120","","140.957","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Pt3 U -","- Pt3 U -","- Pt6 U2 -","2","0.0833333","","Hael, T.J.; Williams, G.I.","Compounds of uranium with the transition metals of the second and third long period","Acta Crystallographica (1,1948-23,1967)","1955","8","","494","498","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310213","5.433","","5.433","","8.561","","90","","90","","120","","218.844","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Re2 U -","- Re2 U -","- Re8 U4 -","4","0.166667","","Hatt, B.A.","The crystal structure of U Re2","Acta Crystallographica (1,1948-23,1967)","1961","14","","119","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310224","14.43","","14.43","","14.14","","90","","90","","120","","2549.84","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Pu13 Zn58 -","- Pu13 Zn58 -","- Pu26 Zn116 -","2","0.0833333","","Larson, A.C.; Cromer, D.T.","The crystal structure of Pu2 Zn9","Acta Crystallographica (1,1948-23,1967)","1967","23","","70","77","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310258","5.05","","5.05","","16.32","","90","","90","","120","","360.44","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Nb Zn2 -","- Nb Zn2 -","- Nb8 Zn16 -","8","0.333333","","Vold, C.L.","The crystal structure of Nb Zn2","Acta Crystallographica (1,1948-23,1967)","1961","14","","1289","1290","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310260","10.511","","10.511","","28.362","","90","","90","","120","","2713.66","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mg4 Sr -","- Mg4 Sr -","- Mg72 Sr18 -","18","0.75","","Wang, F.E.; King, A.J.; Kanda, F.A.; Miskell, C.F.","The crystal structures of Sr6 Mg23, Sr Mg4, Ba6 Mg23 and Ba Li4","Acta Crystallographica (1,1948-23,1967)","1965","18","","24","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310265","5.51","","5.51","","40.39","","90","","90","","120","","1061.96","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","Na13 Pb5","","- Pb5 -","- Pb5 -","- Pb10 -","2","0.0833333","","Weston, N.E.; Shoemaker, D.P.","The crystal structures of three phases in the Pb-Na system","Acta Crystallographica (1,1948-23,1967)","1957","10","","775","775","","","","","","","","","","","","","","","","","","","","","","has coordinates","143489","2020-10-21","18:00:00","" "2310280","4.98","","4.98","","16.54","","90","","90","","120","","355.242","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ce Ni3 -","- Ce Ni3 -","- Ce6 Ni18 -","6","0.25","","Cromer, D.T.; Olsen, C.E.","The crystal structures of Pu Ni3 and Ce Ni3","Acta Crystallographica (1,1948-23,1967)","1959","12","","689","694","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310281","4.98","","4.98","","24.52","","90","","90","","120","","526.635","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ce2 Ni7 -","- Ce2 Ni7 -","- Ce8 Ni28 -","4","0.166667","","Cromer, D.T.; Larson, A.C.","The crystal structure of Ce7 Ni2","Acta Crystallographica (1,1948-23,1967)","1959","12","","855","859","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310283","5.1245","","5.1245","","4.1125","","90","","90","","120","","93.528","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Co3 Mo -","- Co3 Mo -","- Co6 Mo2 -","2","0.0833333","","D'Alte da Veiga, L.M.","Refinement of the structure of the phase Co3 Mo","Acta Crystallographica (1,1948-23,1967)","1965","18","","855","857","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310365","6.421","","6.421","","5.183","","90","","90","","120","","185.062","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Sc3 In","","- In Sc3 -","- In Sc3 -","- In2 Sc6 -","2","0.0833333","","Compton, V.B.; Matthias, B.T.","The crystal structure of Sc3 In","Acta Crystallographica (1,1948-23,1967)","1962","15","","94","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310465","3.519","","3.519","","13.964","","90","","90","","120","","149.754","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mo Te2 -","- Mo Te2 -","- Mo2 Te4 -","2","0.0833333","","Puotinen, D.; Newnham, R.E.","The crystal structure of Mo Te2","Acta Crystallographica (1,1948-23,1967)","1961","14","","691","692","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310532","3.43","","3.43","","12.71","","90","","90","","120","","129.498","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Ta Se2","","- Se2 Ta -","- Se2 Ta -","- Se4 Ta2 -","2","0.0833333","","Brown, B.E.; Beerntsen, D.J.","Layer structure polytism among niobium and tantalum selenides","Acta Crystallographica (1,1948-23,1967)","1965","18","","31","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310535","3.46","","3.46","","25.18","","90","","90","","120","","261.059","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Ta Se2","","- Se2 Ta -","- Se2 Ta -","- Se8 Ta4 -","4","0.166667","","Brown, B.E.; Beerntsen, D.J.","Layer structure polytism among niobium and tantalum selenides","Acta Crystallographica (1,1948-23,1967)","1965","18","","31","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310670","7.418","","7.418","","18.39","","90","","90","","120","","876.367","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs Cd Cl3","","- Cd Cl3 Cs -","- Cd Cl3 Cs -","- Cd6 Cl18 Cs6 -","6","0.25","","Siegel, S.; Gebert, E.","The Structures of hexagonal Cs Cd Cl3 and tetragonal Cs2 Cd Cl4","Acta Crystallographica (1,1948-23,1967)","1964","17","","790","790","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310695","7.22","","7.22","","17.93","","90","","90","","120","","809.441","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs3 (Cr2 Cl9)","","- Cl9 Cr2 Cs3 -","- Cl9 Cr2 Cs3 -","- Cl18 Cr4 Cs6 -","2","0.0833333","","Wessel, G.J.; Ijdo, D.J.W.","The crystal structure of Cs3 Cr2 Cl9","Acta Crystallographica (1,1948-23,1967)","1957","10","","466","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","151869","2020-10-21","18:00:00","" "2310907","5.52","","5.52","","22.43","","90","","90","","120","","591.886","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Pd3 Ta -","- Pd3 Ta -","- Pd30 Ta10 -","10","0.416667","","Giessen, B.C.; Grant, N.J.","New intermediate phases in transition metal systems. II.","Acta Crystallographica (1,1948-23,1967)","1965","18","","1080","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310922","6.65","","6.65","","11.26","","90","","90","","120","","431.233","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Hg2 N Br","","- Br Hg2 N -","- Br Hg2 N -","- Br4 Hg8 N4 -","4","0.166667","","Nijssen, L.; Lipscomb, W.N.","A Hexagonal Modification of a Salt of Millon's Base","Acta Crystallographica (1,1948-23,1967)","1954","7","","103","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310945","3.288","","3.288","","12.9","","90","","90","","120","","120.777","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mo Se2 -","- Mo Se2 -","- Mo2 Se4 -","2","0.0833333","","James, P.B.; Lavik, M.T.","The crystal structure of Mo Se2","Acta Crystallographica (1,1948-23,1967)","1963","16","","1183","1183","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310986","3.805","","3.805","","4.89","","90","","90","","120","","61.312","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ni2 Si -","- Ni2 Si -","- Ni4 Si2 -","2","0.0833333","","Toman, K.","The structure of Ni2 Si","Acta Crystallographica (1,1948-23,1967)","1952","5","","329","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310995","4.04","","4.04","","6.71","","90","","90","","120","","94.845","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ni Se -","- Ni Se -","- Ni2 Se2 -","2","0.0833333","","Srivastava, M.M.; Srivastava, O.N.","Studies of structure, electrical resistivity, and modulated structures in Fe Se and Ni Se alloys","Acta Crystallographica A (24,1968-38,1982)","1975","31","","S82","S82","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2311076","5.41","","5.41","","6.57","","90","","90","","120","","166.529","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- N2 O5 -","- N2 O5 -","- N4 O10 -","2","0.0833333","","Grison, E.; Eriks, K.; de Vries, J.L.","Structure Cristalline de l'Anhydride Azotique, N2 O5","Acta Crystallographica (1,1948-23,1967)","1950","3","","290","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2311577","6.047","0.003","6.047","0.003","16.479","0.009","90","","90","","120","","521.8","0.5","298","2","298","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Dibarium dipotassium nonaoxidoditellurate","","- Ba2 K2 O9 Te2 -","- Ba2 K2 O9 Te2 -","- Ba4 K4 O18 Te4 -","2","0.0833333","PJ2054","Weil, Matthias","Crystal structures of the triple perovskites Ba2K2Te2O9 and Ba2KNaTe2O9, and redetermination of the double perovskite Ba2CaTeO6.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","1006","1009","10.1107/S2056989018009064","","","0.71073","MoKα","","0.0186","0.0153","","","0.0348","0.0359","","","","","","1.15","","","","has coordinates","245998","2020-10-21","18:00:00","" "2311578","5.9625","0.0003","5.9625","0.0003","14.9396","0.0008","90","","90","","120","","459.97","0.04","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Dibarium potassium sodium nonaoxidoditellurate","","- Ba2 K Na O9 Te2 -","- Ba2 K Na O9 Te2 -","- Ba4 K2 Na2 O18 Te4 -","2","0.0833333","PJ2054","Weil, Matthias","Crystal structures of the triple perovskites Ba2K2Te2O9 and Ba2KNaTe2O9, and redetermination of the double perovskite Ba2CaTeO6.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","1006","1009","10.1107/S2056989018009064","","","0.71073","MoKα","","0.0192","0.0177","","","0.0335","0.0339","","","","","","1.491","","","","has coordinates","245998","2020-10-21","18:00:00","" "2311789","13.2748","0.0004","13.2748","0.0004","19.1521","0.0007","90","","90","","120","","2922.83","0.16","298","2","298","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","tren-SnS-1","","","- S28 Sn12 -","- S28 Sn12 -","- S28 Sn12 -","1","0.0416667","","Filsø, Mette Ø; Chaaban, Iman; Al Shehabi, Amer; Skibsted, Jørgen; Lock, Nina","The structure-directing amine changes everything: structures and optical properties of two-dimensional thiostannates.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","931","940","10.1107/S2052520617010630","","","0.71073","MoKα","","0.0802","0.0584","","","0.2148","0.2266","","","","","","1.149","","","","has coordinates","246106","2020-10-21","18:00:00","" "2312075","4.228","0.001","4.228","0.001","5.481","0.002","90","","90","","120","","84.85","0.04","293","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","(Tin, lead, bismuth) platinum","","- Bi0.31 Pb0.54 Pt Sn0.15 -","- Bi0.31 Pb0.54 Pt Sn0.148 -","- Bi0.62 Pb1.08 Pt2 Sn0.296 -","2","0.0833333","","Rössner, Leonard; Prots, Yurii; Grin, Yuri; Armbrüster, Marc","The crystal structure of quaternary (Sn,Pb,Bi)Pt.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","129","131","10.1107/S2056989023000956","","x-ray","0.71073","MoKα","","0.0272","0.0247","","","0.0406","0.0414","","","","","","1.512","","","","has coordinates","283600","2023-05-06","10:50:01","" "2312137","5.0151","0.0005","5.0151","0.0005","8.1086","0.0009","90","","90","","120","","176.62","0.03","296","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Co Ga Mg -","- Co Ga0.99995 Mg -","- Co4 Ga3.9998 Mg4 -","4","0.166667","","Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Ciesielski, Wojciech; Rozdzynska-Kielbik, Beata; Indris, Sylvio; Ehrenberg, Helmut","A new ternary derivative of the Laves phases in the Mg-Co-Ga system.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623004511","","","0.71073","MoKα","","0.0264","0.0254","","","0.0642","0.0644","","","","","","1.274","","","","has coordinates,has Fobs","284807","2023-07-05","02:05:33","" "3000011","5.9645","0.0003","5.9645","0.0003","14.4972","0.0008","90","","90","","120","","446.65","0.04","570","","570","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","tetrapotassium pyrophosphate","","","- K4 O7 P2 -","- K4 O7 P2 -","- K8 O14 P4 -","2","0.0833333","","Armel Le Bail; Thomas Hansen; Wilson A. Crichton","Tetrapotassium pyrophosphates gamma and delta-K4P2O7","Powder Diffraction","2013","28","","2","12","10.1017/S0885715612000954","powder diffraction","","1.54056","X-ray","","","","","","","","","3.19","","","","","","","","has coordinates","176718","2020-10-21","18:00:00","" "3000012","6.0117","0.0004","6.0117","0.0004","14.6215","0.0009","90","","90","","120","","457.63","0.05","870","","870","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","tetrapotassium pyrophosphate","","","- K4 O7 P2 -","- K4 O7 P2 -","- K8 O14 P4 -","2","0.0833333","","Armel Le Bail; Thomas Hansen; Wilson A. Crichton","Tetrapotassium pyrophosphates gamma and delta-K4P2O7","Powder Diffraction","2013","28","","2","12","10.1017/S0885715612000954","powder diffraction","","1.54056","X-ray","","","","","","","","","3.21","","","","","","","","has coordinates","176718","2020-10-21","18:00:00","" "3000042","6.2535","0.00019","6.2535","0.00019","14.7193","0.0006","90","","90","","120","","498.5","0.03","295","","295","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al2 Cs3 F9 -","- Al2 Cs3 F9 -","- Al4 Cs6 F18 -","2","0.0833333","","Armel Le Bail; Lubomir Smrcok","Face-sharing octahedra in Cs~2~AlF~5~ and Cs~3~Al~2~F~9~","Powder Diffraction","2015","30","2","130","138","10.1017/S0885715614001444","powder diffraction","","1.5418","CuKα","","","","","","","","","5.9856","3.154","","","","","","","has coordinates","176722","2020-10-21","18:00:00","" "3000293","4.8458","0.0002","4.8458","0.0002","7.7569","0.0003","90","","90","","120","","157.743","0.011","298","2","298","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Cd0.56 Na Sn1.44 -","- Cd0.56 Na Sn1.44 -","- Cd1.12 Na2 Sn2.88 -","2","0.0833333","","Asamiya, Yuki; Yamada, Takahiro; Yamane, Hisanori","Synthesis and characterization of NaCd0.92Sn1.08, Na(Cd0.28Sn0.72)2, and Na2CdSn5 with three-dimensional Cd-Sn frameworks","Inorganics","2021","9","","19","","10.3390/inorganics9030019","","","0.71073","MoKα","","0.0164","0.0143","","","0.027","0.0276","","","","","","1.233","","","","has coordinates","262848","2021-03-08","09:19:11","" "3000419","3.039","","3.039","","12.395","","90","","90","","120","","99.138","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","AgCuO2","","","- Ag Cu O2 -","- Ag Cu O2 -","- Ag2 Cu2 O4 -","2","0.0833333","","Amira. T. Mohamed; M.M.Arman.; Ebtesam.E.Ateia.","A facile novel synthesis of AgCuO2 delafossite nanoparticles and evaluation of their antibacterial activity","Personal communication to COD","2022","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","278814","2022-10-26","11:36:32","" "3000436","9.229","0.0002","9.229","0.0002","5.5671","0.0001","90","","90","","120","","410.647","0.015","294","","294","","","","","","","","","4","P 63/m m c","-P 6c 2c","","","","","- Ge Sn4 V3 Zr3 -","","","","","","Niang, K.; Parks, D.; Janssen, Y.; Jack Simonson","Synthesis and crystal structure of Zr~3~V~3~GeSn~4~","To be published in Crystals","","","","","","","","x-ray","0.71073","MoKα","","0.0174","0.0156","","","0.0277","0.028","","","","2.14","2.14","2.12","","","","","282632","2023-04-14","12:21:14","2023-04-14" "4000156","3.2146","0.001","3.2146","0.001","11.3857","0.0013","90","","90","","120","","101.89","0.05","290","2","290","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Cu O2 Sc -","- Cu0.5 O Sc0.5 -","- Cu2 O4 Sc2 -","4","0.166667","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","","","0.71069","MoKα","","0.0235","0.0187","","","0.0351","0.0358","","","","","","1.255","","","","has coordinates","270058","2021-10-23","00:09:47","" "4000157","3.2163","0.0004","3.2163","0.0004","11.409","0.001","90","","90","","120","","102.21","0.01","11","1","11","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.79","","","","","","","has coordinates","277839","2022-09-14","18:07:02","" "4000158","3.2162","0.0004","3.2163","0.0004","11.408","0.001","90","","90","","120","","102.19","0.01","50","1","50","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.79","","","","","","","has coordinates","277839","2022-09-14","18:07:03","" "4000159","3.2164","0.0004","3.2164","0.0004","11.407","0.001","90","","90","","120","","102.2","0.01","100","1","100","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.63","","","","","","","has coordinates","277839","2022-09-14","18:07:03","" "4000160","3.2168","0.0004","3.2168","0.0004","11.406","0.001","90","","90","","120","","102.21","0.01","150","1","150","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu Mg0.08 O2 Sc0.92 -","- Cu2 Mg0.16 O4 Sc1.84 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.77","","","","","","","has coordinates","277839","2022-09-14","18:07:03","" "4000161","3.2173","0.0004","3.2173","0.0004","11.405","0.001","90","","90","","120","","102.24","0.01","200","1","200","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.68","","","","","","","has coordinates","277839","2022-09-14","18:07:03","" "4000162","3.2182","0.0004","3.2182","0.0004","11.405","0.001","90","","90","","120","","102.29","0.01","250","1","250","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.69","","","","","","","has coordinates","277839","2022-09-14","18:07:03","" "4000163","3.2189","0.0004","3.2189","0.0004","11.404","0.001","90","","90","","120","","102.33","0.01","300","1","300","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.38","","","","","","","has coordinates","277839","2022-09-14","18:07:03","" "4000164","3.2275","0.0004","3.2275","0.0004","11.413","0.001","90","","90","","120","","102.96","0.01","573","1","573","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.4","","","","","","","has coordinates","277839","2022-09-14","18:07:03","" "4000165","3.2315","0.0004","3.2315","0.0004","11.418","0.001","90","","90","","120","","103.26","0.01","723","1","723","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.35","","","","","","","has coordinates","277839","2022-09-14","18:07:03","" "4000166","3.2357","0.0004","3.2357","0.0004","11.423","0.001","90","","90","","120","","103.57","0.01","873","1","873","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.34","","","","","","","has coordinates","277839","2022-09-14","18:07:03","" "4000167","3.2422","0.0004","3.2422","0.0004","11.431","0.001","90","","90","","120","","104.06","0.01","1073","1","1073","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.4","","","","","","","has coordinates","277839","2022-09-14","18:07:03","" "4000168","3.2472","0.0004","3.2472","0.0004","11.436","0.001","90","","90","","120","","104.43","0.01","1206","1","1206","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.47","","","","","","","has coordinates","277839","2022-09-14","18:07:03","" "4000174","4.1344","0.0011","4.1344","0.0011","15.887","0.006","90","","90","","120","","235.18","0.12","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ga4.4 Ge0.6 Ni2 Y0.59 -","- Ga4.39 Ge0.6 Ni2 Y0.59 -","- Ga8.78 Ge1.2 Ni4 Y1.18 -","2","0.0833333","","","","Chemistry of Materials","2002","","","","","10.1021/cm020066o","","","0.71073","MoKα","","0.032","0.032","","","0.0826","0.0826","","","","","","1.221","","","","has coordinates","176467","2020-10-21","18:00:00","" "4000175","4.1748","0.0007","4.1748","0.0007","16.007","0.004","90","","90","","120","","241.61","0.08","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ga4.56 Ge0.44 Ni2 Sm0.53 -","- Ga4.79 Ge0.2 Ni2 Sm0.533 -","- Ga9.58 Ge0.4 Ni4 Sm1.066 -","2","0.0833333","","","","Chemistry of Materials","2002","","","","","10.1021/cm020066o","","","0.71073","MoKα","","0.032","0.0311","","","0.0721","0.0724","","","","","","1.164","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000176","4.1491","0.0004","4.1491","0.0004","15.877","0.002","90","","90","","120","","236.71","0.05","571","2","571","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ga4.4 Ge0.6 Ho0.66 Ni2 -","- Ga4.45 Ge0.54 Ho0.67 Ni2 -","- Ga8.9 Ge1.08 Ho1.34 Ni4 -","2","0.0833333","","","","Chemistry of Materials","2002","","","","","10.1021/cm020066o","","","0.71073","MoKα","","0.0338","0.0332","","","0.0846","0.0849","","","","","","1.317","","","","has coordinates","176467","2020-10-21","18:00:00","" "4000177","4.1415","0.0011","4.1415","0.0011","15.843","0.006","90","","90","","120","","235.33","0.12","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ga4.76 Ni2 Si0.24 Tb0.66 -","- Ga4.75 Ni2 Si0.24 Tb0.67 -","- Ga9.5 Ni4 Si0.48 Tb1.34 -","2","0.0833333","","","","Chemistry of Materials","2002","","","","","10.1021/cm020066o","","","0.71073","MoKα","","0.0324","0.0292","","","0.0838","0.0849","","","","","","1.373","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000330","2.84","0.001","2.84","0.001","14.03","0.006","90","","90","","120","","98","0.06","100","2","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- K Mn2 O5.44 -","- K0.48 Mn1.94 O5.18 -","- K0.48 Mn1.94 O5.18 -","1","0.0416667","","Gaillot, Anne-Claire; Flot, David; Drits, Victor A.; Burghammer, Manfred; Manceau, Alain; Lanson, Bruno","Structure of synthetic K-rich birnessite obtained by high-temperature decomposition of KMnO4. I. Two-layer polytype from 800 C experiments.","Chemistry of Materials","2003","","","","","10.1021/cm021733g","","x-ray","0.729","synchrotron","","","0.0275","","","","0.0696","","","","","","1.088","","","","has coordinates","130149","2020-10-21","18:00:00","" "4000338","4.0481","0.0003","4.0481","0.0003","7.7086","0.0013","90","","90","","120","","109.4","0.02","150","1","150","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Cu Li2 P -","- Cu Li2 P -","- Cu2 Li4 P2 -","2","0.0833333","","","","Chemistry of Materials","2003","","","","","10.1021/cm034619m","","","0.71073","MoKα","","0.0232","0.0215","","","0.0447","0.0462","","","","","","1.505","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000604","5.84414","0.00019","5.84414","","14.4089","0.0006","90","","90","","120","","426.189","0.035","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba3 Mg O9 Sb2 -","- Ba3 Mg O9 Sb2 -","- Ba6 Mg2 O18 Sb4 -","2","0.0833333","","Lufaso, Michael W.; Hopkins, Elizabeth; Bell, Steven M.; Llobet, Anna","Crystal chemistry and microwave dielectric properties of Ba~3~MNb~2-x~Sb~x~O~9~ (M = Mg, Ni, Zn)","Chemistry of Materials","2005","17","16","4250","4255","10.1021/cm050631y","","","","","","","","","","","","","","","","","","","","","has coordinates","277948","2022-09-17","22:55:20","" "4000605","5.85382","0.0001","5.85382","","14.44977","0.00031","90","","90","","120","","428.816","0.018","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba3 O9 Sb2 Zn -","- Ba3 O9 Sb2 Zn -","- Ba6 O18 Sb4 Zn2 -","2","0.0833333","","Lufaso, Michael W.; Hopkins, Elizabeth; Bell, Steven M.; Llobet, Anna","Crystal chemistry and microwave dielectric properties of Ba~3~MNb~2-x~Sb~x~O~9~ (M = Mg, Ni, Zn)","Chemistry of Materials","2005","17","16","4250","4255","10.1021/cm050631y","","","","","","","","","","","","","","","","","","","","","has coordinates","277948","2022-09-17","22:55:20","" "4000643","2.7709","0.0008","2.7709","0.0008","4.3785","0.0009","90","","90","","120","","29.09","0.02","298","","298","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Li Zn4 -","- Li0.2 Zn0.8 -","- Li0.4 Zn1.6 -","2","0.0833333","","Marie-Pierre Bichat; Jean-Louis Pascal; Frederic Gillot; Frederic Favier","","Chemistry of Materials","2005","","","","","10.1021/cm0513379","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03","" "4000680","4.0829","0.0006","4.0829","0.0006","17.595","0.004","90","","90","","120","","254.02","0.07","90","2","90","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Eu In2 P2 -","- Eu In2 P2 -","- Eu2 In4 P4 -","2","0.0833333","","Jiong Jiang; Susan M. Kauzlarich","Colossal Magnetoresistance in a Rare Earth Zintl Compound with a New Structure Type: EuIn2P2","Chem. Mater.","2006","18","2","435","441","10.1021/cm0520362","","","0.71073","MoKα","","0.0176","0.0176","","","0.0345","0.0345","","","","","","1.589","","","","has coordinates","211196","2020-10-21","18:00:00","" "4000913","5.56","0.0011","5.56","0.0011","22.83","0.005","90","","90","","120","","611.2","0.2","300","","300","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- O3 Ru0.821 Sr -","- O3 Ru0.8212 Sr -","- O30 Ru8.212 Sr10 -","10","0.416667","","Yamamoto, Ayako; Hashizume, Daisuke; Katori, Hiroko Aruga; Sasaki, Takahiko; Ohmichi, Eiji; Nishizaki, Terukazu; Kobayashi, Norio; Takagi, Hidenori","Ten Layered Hexagonal Perovskite Sr5Ru5−xO15(x= 0.90), a Weak Ferromagnet with a Giant Coercive FieldHcσim 12 T","Chemistry of Materials","2010","22","20","5712","","10.1021/cm1017954","","","0.71073","MoKα","","0.0551","0.0535","","","0.1139","0.1145","","","","","","1.429","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001103","5.738938","0.000032","5.738938","","23.64154","0.00015","90","","90","","120","","674.325","0.006","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba5 In0.94 Mn4 O14.42 -","- Ba5 In0.94399 Mn4 O14.416 -","- Ba10 In1.88798 Mn8 O28.832 -","2","0.0833333","","Yin, Congling; Li, Guobao; Jin, Tounan; You, Liping; Tao, Julian; Richardson, James W.; Loong, Chun-K.; Sun, Junliang; Liao, Fuhui; Lin, Jianhua","Synthesis, Structure, and Characterization of the Hexagonal Provskite Ba5In0.93Mn4O14.40","Chemistry of Materials","2008","20","6","2110","","10.1021/cm7025152","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001323","13.748","0.002","13.748","0.002","15.383","0.002","90","","90","","120","","2518","0.6","340","","340","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ag10 Br3 Te4 -","- Ag10.0087 Br3 Te4.00933 -","- Ag60.052 Br18 Te24.056 -","6","0.25","","Lange, Stefan; Bawohl, Melanie; Wilmer, Dirk; Meyer, Hinrich-Wilhelm; Wiemhöfer, Hans-Dieter; Nilges, T.","Polymorphism, Structural Frustration, and Electrical Properties of the Mixed Conductor Ag10Te4Br3","Chemistry of Materials","2007","19","6","1401","","10.1021/cm062731p","","","0.71073","MoKα","","0.1531","0.0369","","","0.0536","0.0696","","","","1.36","1.36","0.82","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001370","5.6878","0.0005","5.6878","0.0005","23.701","0.005","90","","90","","120","","664.03","0.16","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","barium cobalt oxyfluorure","","","- Ba5 Co5 F O13 -","- Ba10 Co10 F2 O25.98 -","- Ba10 Co10 F2 O25.98 -","1","0.0416667","","Ehora, Ghislaine; Renard, Catherine; Daviero-Minaud, Sylvie; Mentré, Olivier","New BaCoO3-δPolytypes by Rational Substitution of O2-for F-","Chemistry of Materials","2007","19","12","2924","","10.1021/cm070576o","","","0.71073","MoKα","","0.0392","0.0275","","","0.0574","0.0601","","","","","","1.263","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001742","4.1154","","4.1154","","8.592","","90","","90","","120","","126.023","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Gd (B O3)","","- B Gd O3 -","- B Gd O3 -","- B2 Gd2 O6 -","2","0.0833333","","Dong, Y.; Yang, L.Q.; Su, M.Z.; Ren, M.; Lin, J.-H.; You, L.P.","Structure and phase transformation of Gd B O3","Chemistry of Materials (1,1989-)","1999","11","","1576","1580","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4001778","3.6749","0.0004","3.6749","0.0004","16.827","0.004","90","","90","","120","","196.8","0.06","293","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- K1.316 Mg0.658 S4 Sn1.342 -","- K1.32 Mg0.66 S4 Sn1.34 -","- K1.32 Mg0.66 S4 Sn1.34 -","1","0.0416667","","Mertz, Joshua L.; Fard, Zohreh Hassanzadeh; Malliakas, Christos D.; Manos, Manolis J.; Kanatzidis, Mercouri G.","Selective Removal of Cs+, Sr2+, and Ni2+by K2xMgxSn3‒xS6(x= 0.5‒1) (KMS-2) Relevant to Nuclear Waste Remediation","Chemistry of Materials","2013","25","10","2116","","10.1021/cm400699r","","","0.4428","synchrotron","","0.0557","0.0437","","","0.1198","0.123","","","","2.51","2.51","2.4","","","","has coordinates","176432","2020-10-21","18:00:00","" "4001877","9.469","0.0013","9.469","0.0013","22.233","0.004","90","","90","","120","","1726.4","0.5","100","2","100","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C19 H12 N2 Ni O6 -","- C19.16 H1.5 N2 Ni O6 -","- C38.32 H3 N4 Ni2 O12 -","2","0.0833333","","Jeong, Seok; Kim, Dongwook; Shin, Sunyoung; Moon, Dohyun; Cho, Sung June; Lah, Myoung Soo","Combinational Synthetic Approaches for Isoreticular and Polymorphic Metal‒Organic Frameworks with Tuned Pore Geometries and Surface Properties","Chemistry of Materials","2014","26","4","1711","","10.1021/cm404239s","","","0.89999","synchrotron","","0.1953","0.1715","","","0.4489","0.4735","","","","","","1.844","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00","" "4001880","9.5935","0.0014","9.5935","0.0014","13.836","0.003","90","","90","","120","","1102.8","0.3","173","2","173","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C13 H8 N2 Ni O6 -","- C12.96 H1.5 N2 Ni O6 -","- C25.92 H3 N4 Ni2 O12 -","2","0.0833333","","Jeong, Seok; Kim, Dongwook; Shin, Sunyoung; Moon, Dohyun; Cho, Sung June; Lah, Myoung Soo","Combinational Synthetic Approaches for Isoreticular and Polymorphic Metal‒Organic Frameworks with Tuned Pore Geometries and Surface Properties","Chemistry of Materials","2014","26","4","1711","","10.1021/cm404239s","","","0.66999","synchrotron","","0.0989","0.0811","","","0.2371","0.2491","","","","","","1.124","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00","" "4001881","5.8797","0.0008","5.8797","0.0008","13.72","0.003","90","","90","","120","","410.77","0.12","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ge2 K Mn3 O9 -","- Ge2 K Mn3 O8.99 -","- Ge4 K2 Mn6 O17.98 -","2","0.0833333","","Williams, Matthew S.; West, J. Palmer; Hwu, Shiou-Jyh","KMn3O2(Ge2O7): AnS= 2 Magnetic Insulator Featuring Pillared Kagome Lattice","Chemistry of Materials","2014","26","4","1502","","10.1021/cm403237u","","","0.71073","MoKα","","0.0269","0.0255","","","0.0589","0.0601","","","","","","1.184","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001882","5.8841","0.0008","5.8841","0.0008","13.795","0.003","90","","90","","120","","413.63","0.12","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- Ge2 K0.35 Mn3 O9 Rb0.65 -","- Ge2 K0.353 Mn3 O8.99 Rb0.647 -","- Ge4 K0.706 Mn6 O17.98 Rb1.294 -","2","0.0833333","","Williams, Matthew S.; West, J. Palmer; Hwu, Shiou-Jyh","KMn3O2(Ge2O7): AnS= 2 Magnetic Insulator Featuring Pillared Kagome Lattice","Chemistry of Materials","2014","26","4","1502","","10.1021/cm403237u","","","0.71073","MoKα","","0.0311","0.0303","","","0.0716","0.0721","","","","","","1.217","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001998","6.1264","0.0004","6.1264","0.0004","5.6914","0.0004","90","","90","","120","","185","0.02","295","2","295","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","neodymium chromium trigermanide","neodymium chromium germanide (1/1/3)","","- Cr Ge3 Nd -","- Cr Ge3 Nd -","- Cr2 Ge6 Nd2 -","2","0.0833333","","Bie, Haiying; Zelinska, Oksana Ya.; Tkachuk, Andriy V.; Mar, Arthur","Structures and Physical Properties of Rare-Earth Chromium Germanides RECrGe3(RE = La−Nd, Sm)","Chemistry of Materials","2007","19","18","4613","","10.1021/cm071276+","","","0.71073","MoKα","","0.0235","0.0235","","","0.0636","0.0636","","","","","","1.064","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001999","6.1416","0.0006","6.1416","0.0006","5.7039","0.0005","90","","90","","120","","186.32","0.03","295","2","295","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","praseodymium chromium trigermanide","praseodymium chromium germanide (1/1/3)","","- Cr Ge3 Pr -","- Cr Ge3 Pr -","- Cr2 Ge6 Pr2 -","2","0.0833333","","Bie, Haiying; Zelinska, Oksana Ya.; Tkachuk, Andriy V.; Mar, Arthur","Structures and Physical Properties of Rare-Earth Chromium Germanides RECrGe3(RE = La−Nd, Sm)","Chemistry of Materials","2007","19","18","4613","","10.1021/cm071276+","","","0.71073","MoKα","","0.0323","0.0323","","","0.0748","0.0748","","","","","","1.334","","","","has coordinates","178377","2020-10-21","18:00:00","" "4002000","6.15","0.002","6.15","0.002","5.7222","0.0019","90","","90","","120","","187.43","0.11","295","2","295","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","cerium chromium trigermanide","cerium chromium germanide (1/1/3)","","- Ce Cr Ge3 -","- Ce Cr Ge3 -","- Ce2 Cr2 Ge6 -","2","0.0833333","","Bie, Haiying; Zelinska, Oksana Ya.; Tkachuk, Andriy V.; Mar, Arthur","Structures and Physical Properties of Rare-Earth Chromium Germanides RECrGe3(RE = La−Nd, Sm)","Chemistry of Materials","2007","19","18","4613","","10.1021/cm071276+","","","0.71073","MoKα","","0.0278","0.0278","","","0.0698","0.0698","","","","","","1.079","","","","has coordinates","178377","2020-10-21","18:00:00","" "4002001","6.2004","0.0007","6.2004","0.0007","5.766","0.0006","90","","90","","120","","191.98","0.04","295","2","295","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","lanthanum chromium trigermanide","lanthanum chromium germanide (1/1/3)","","- Cr Ge3 La -","- Cr Ge3 La -","- Cr2 Ge6 La2 -","2","0.0833333","","Bie, Haiying; Zelinska, Oksana Ya.; Tkachuk, Andriy V.; Mar, Arthur","Structures and Physical Properties of Rare-Earth Chromium Germanides RECrGe3(RE = La−Nd, Sm)","Chemistry of Materials","2007","19","18","4613","","10.1021/cm071276+","","","0.71073","MoKα","","0.0252","0.0235","","","0.0511","0.0521","","","","","","1.299","","","","has coordinates","178377","2020-10-21","18:00:00","" "4002228","5.6991","","5.6991","","4.8148","","90","","90","","120","","135.432","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ba (Mn O3)","","- Ba Mn O3 -","- Ba Mn O3 -","- Ba2 Mn2 O6 -","2","0.0833333","","Cussen, E.J.; Battle, P.D.","Crystal and magnetic structures of 2H Ba Mn O3","Chemistry of Materials (1,1989-)","2000","12","","831","838","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002260","2.885","","2.885","","11.155","","90","","90","","120","","80.407","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Na0.58 (Ni0.333 Mn0.667) O1.95","","- Mn0.667 Na0.58 Ni0.333 O1.95 -","- Mn0.667 Na0.58 Ni0.333 O1.95 -","- Mn1.334 Na1.16 Ni0.666 O3.9 -","2","0.0833333","","Paulsen, J.M.; Donaberger, R.A.; Dahn, J.R.","Layered T2-, O6-, O2-, and P2-type A2/3 (M'(2+)1/3 M(4+)2/3) O2 bronzes, A = Li, Na; M' = Ni, Mg; M = Mn, Ti","Chemistry of Materials (1,1989-)","2000","12","","2257","2267","","","","","","","","","","","","","","","","","","","","","","has coordinates","141094","2020-10-21","18:00:00","" "4002287","3.43854","","3.43854","","5.7966","","90","","90","","120","","59.354","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","V0.812 Cr0.968 S2","","- Cr0.968 S2 V0.812 -","- Cr0.968 S2 V0.812 -","- Cr0.968 S2 V0.812 -","1","0.0416667","","Vaqueiro, P.; Powell, A.V.","Structures and properties of new ordered defect phases in the vanadium chromium sulfide system","Chemistry of Materials (1,1989-)","2000","12","","2705","2714","","","","","","","","","","","","","","","","","","","","","","has coordinates","141169","2020-10-21","18:00:00","" "4002364","5.6736","","5.6736","","18.755","","90","","90","","120","","522.836","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba Mn O2.95 -","- Ba Mn O2.94975 -","- Ba8 Mn8 O23.598 -","8","0.333333","","Adkin, J.J.; Hayward, M.A.","Ba Mn O(3-x) revisited: a structural and magnetic study","Chemistry of Materials (1,1989-)","2007","19","","755","762","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "4002365","5.6547","","5.6547","","23.1936","","90","","90","","120","","642.27","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba Mn O2.91 -","- Ba Mn O2.9154 -","- Ba10 Mn10 O29.154 -","10","0.416667","","Adkin, J.J.; Hayward, M.A.","Ba Mn O(3-x) revisited: a structural and magnetic study","Chemistry of Materials (1,1989-)","2007","19","","755","762","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "4002388","18.314","","18.314","","7.6854","","90","","90","","120","","2232.36","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Na7.26 (Ga8.9 Si27.1 O72)","","- Ga8.9 Na7.26 O72 Si27.1 -","- Ga8.8992 Na7.26 O72 Si27.1008 -","- Ga8.8992 Na7.26 O72 Si27.1008 -","1","0.0416667","","Han, B.; Chin, C.-H.; Warrender, S.J.; Camblor, M.A.; Lightfoot, P.; Wright, P.A.; Hong, S.B.","Structural chemical zoning in the boundary phase zeolite TNU-7 (EON)","Chemistry of Materials (1,1989-)","2006","18","","3023","3033","","","","","","","","","","","","","","","","","","","","","","has coordinates","150955","2020-10-21","18:00:00","" "4002415","5.69348","","5.69348","","28.5751","","90","","90","","120","","802.184","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba (Mn0.42 Co0.58) O2.83","","- Ba Co0.58 Mn0.42 O2.83 -","- Ba Co0.578 Mn0.422 O2.83333 -","- Ba12 Co6.936 Mn5.064 O34 -","12","0.5","","Miranda, L.; Ramirez-Castellanos, J.; Varela, A.; Gonzalez-Calbet, J.; Parras, M.; Hernando, M.; Fernandez-Diaz, M.T.; Hernandez, M.G.","Structural chemistry and magnetic properties of the Ba Mn0.4 Co0.6 O2.83 hexagonal perovskite","Chemistry of Materials (1,1989-)","2007","19","","1503","1508","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002505","5.99283","","5.99283","","29.9289","","90","","90","","120","","930.862","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba6 Nd2 Ti4 O17","","- Ba6 Nd2 O17 Ti4 -","- Ba6 Nd2 O17 Ti4 -","- Ba12 Nd4 O34 Ti8 -","2","0.0833333","","Kuang, X.-J.; Jing, X.-P.; Skakle, J.M.S.; Loong, C.-K.; Lachowski, E.E.; West, A.R.","A new hexagonal 12-layer perovskite-related structure: Ba6 R2 Ti4 O17 (R = Nd and Y)","Chemistry of Materials (1,1989-)","2002","14","","4359","4363","","","","","","","","","","","","","","","","","","","","","","has coordinates","157120","2020-10-21","18:00:00","" "4002506","5.93055","","5.93055","","29.5239","","90","","90","","120","","899.279","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba6 Y2 Ti4 O17","","- Ba6 O17 Ti4 Y2 -","- Ba6 O17 Ti4 Y2 -","- Ba12 O34 Ti8 Y4 -","2","0.0833333","","Kuang, X.-J.; Loong, C.-K.; Jing, X.-P.; West, A.R.; Lachowski, E.E.; Skakle, J.M.S.","A new hexagonal 12-layer perovskite-related structure: Ba6 R2 Ti4 O17 (R = Nd and Y)","Chemistry of Materials (1,1989-)","2002","14","","4359","4363","","","","","","","","","","","","","","","","","","","","","","has coordinates","157122","2020-10-21","18:00:00","" "4002522","5.7096","","5.7096","","9.5574","","90","","90","","120","","269.825","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","K (Ti O2 (O H))","","- H K O3 Ti -","- K O3 Ti -","- K4 O12 Ti4 -","4","0.166667","","Masaki, N.; Yamane, H.; Uchida, S.; Sato, T.","Characterization of a new potassium titanate, K Ti O2 (O H) synthesized via hydrothermal method","Chemistry of Materials (1,1989-)","2002","14","","419","424","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002541","4.179","","4.179","","15.993","","90","","90","","120","","241.883","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Y0.67 Ni2 Ga4.33 Ge0.67","","- Ga4.33 Ge0.67 Ni2 Y0.67 -","- Ga4.33 Ge0.66 Ni2 Y0.67 -","- Ga8.66 Ge1.32 Ni4 Y1.34 -","2","0.0833333","","Zhuravleva, M.A.; Chen, X.Z.; Kannewurf, C.R.; Wang, X.-P.; Schultz, A.J.; Kanatzidis, M.G.; Ireland, J.","X-ray and neutron structure determination and magnetic properties of new quaternary phases RE0.67 Ni2 Ga5+n-x Gex and RE0.67 Ni2 Ga5+n-x Six (n= 0,1; RE= Y, Sm, Gd, Tb, Dy, Ho, Er, Tm) synthesized in liquid Ga","Chemistry of Materials (1,1989-)","2002","14","","3066","3081","","","","","","","","","","","","","","","","","","","","","","has coordinates","158158","2020-10-21","18:00:00","" "4002625","4.9238","0.0007","4.9238","0.0007","7.9643","0.0012","90","","90","","120","","167.22","0.04","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Fe1.6 Hf Sn0.4 -","- Fe1.566 Hf Sn0.434 -","- Fe6.264 Hf4 Sn1.736 -","4","0.166667","","Calta, Nicholas P.; Francisco, Melanie C.; Malliakas, Christos D.; Schlueter, John A.; Kanatzidis, Mercouri G.","Four High-Temperature Ferromagnets in the Hf‒Fe‒Sn System","Chemistry of Materials","2014","","","141117155215003","","10.1021/cm503466a","","","0.71073","MoKα","","0.0245","0.023","","","0.0425","0.0428","","","","","","1.556","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002626","4.9944","0.0004","4.9944","0.0004","16.2604","0.0015","90","","90","","120","","351.26","0.05","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Fe2 Hf0.67 Sn0.33 -","- Fe2 Hf0.71 Sn0.29 -","- Fe16 Hf5.68 Sn2.32 -","8","0.333333","","Calta, Nicholas P.; Francisco, Melanie C.; Malliakas, Christos D.; Schlueter, John A.; Kanatzidis, Mercouri G.","Four High-Temperature Ferromagnets in the Hf‒Fe‒Sn System","Chemistry of Materials","2014","","","141117155215003","","10.1021/cm503466a","","","0.71073","MoKα","","0.0765","0.0558","","","0.0737","0.0777","","","","","","1.41","","","","has coordinates","160948","2020-10-21","18:00:00","" "4002639","13.6447","","13.6447","","19.72928","","90","","90","","120","","3181.04","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Na3.06 H4.14 (Al7.2 Si40.8 O96)","","- Al7.2 H4.14 Na3.06 O96 Si40.8 -","- Al7.2 Na3.06 O96 Si40.8 -","- Al7.2 Na3.06 O96 Si40.8 -","1","0.0416667","","Lobo, R.F.; Zones, S.I.; Medrud, R.C.","Synthesis and rietveld refinement of the small-pore zeolite SSZ-16","Chemistry of Materials (1,1989-)","1996","8","","2409","2411","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002673","5.818857","0.000007","5.818857","0.000007","33.43938","0.00009","90","","90","","120","","980.538","0.003","293","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","perovskite","- Ba14 Mn1.75 O42 Ta10.5 -","- Ba14 Mn1.75 O42 Ta10.41 -","- Ba14 Mn1.75 O42 Ta10.41 -","1","0.0416667","","Tao, Fengqiong; Genevois, Cécile; Lu, Fengqi; Kuang, Xiaojun; Porcher, Florence; Li, Liangju; Yang, Tao; Li, Wenbo; Zhou, Di; Allix, Mathieu","First 14-Layer Twinned Hexagonal Perovskite Ba14Mn1.75Ta10.5O42: Atomic-Scale Imaging of Cation Ordering","Chemistry of Materials","2016","28","13","4686","","10.1021/acs.chemmater.6b01566","","","1.225","","","","","","","","","","","","","","","","","","has coordinates","184806","2020-10-21","18:00:00","" "4002877","14.29","0.002","14.29","0.002","31.3","0.006","90","","90","","120","","5535.3","1.5","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C54 H18 Al12 O73.5 -","- C54 H18 Al12 O73.5 -","- C108 H36 Al24 O147 -","2","0.0833333","","Benzaqui, Marvin; Pillai, Renjith S.; Sabetghadam, Anahid; Benoit, Virginie; Normand, Perine; Marrot, Jérôme; Menguy, Nicolas; Montero, David; Shepard, William; Tissot, Antoine; Martineau-Corcos, Charlotte; Sicard, Clémence; Mihaylov, Mihail; Carn, Florent; Beurroies, Isabelle; Llewellyn, Philip L.; De Weireld, Guy; Hadjiivanov, Konstantin; Gascon, Jorge; Kapteijn, Freek; Maurin, Guillaume; Steunou, Nathalie; Serre, Christian","Revisiting the Aluminum Trimesate-Based MOF (MIL-96): From Structure Determination to the Processing of Mixed Matrix Membranes for CO2 Capture","Chemistry of Materials","2017","29","24","10326","","10.1021/acs.chemmater.7b03203","","","0.8266","synchrotron","","0.1279","0.1044","","","0.2564","0.2917","","","","","","1.072","","","","has coordinates","204782","2020-10-21","18:00:00","" "4002929","4.43579","0.00004","4.43579","0.00004","23.41553","0.00009","90","","90","","120","","399.003","0.005","295","","295","","","","100","","","","","3","P 63/m m c","-P 6c 2c","194","sodium zinc antimonide","","","- Na Sb3 Zn4 -","- Na Sb3 Zn4 -","- Na2 Sb6 Zn8 -","2","0.0833333","","Gvozdetskyi, Volodymyr; Owens-Baird, Bryan; Hong, Sangki; Cox, Tori; Bhaskar, Gourab; Harmer, Colin; Sun, Yang; Zhang, Feng; Wang, Cai-Zhuang; Ho, Kai-Ming; Zaikina, Julia V.","From NaZn4Sb3 to HT-Na1‒xZn4‒ySb3: Panoramic Hydride Synthesis, Structural Diversity, and Thermoelectric Properties","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02239","powder diffraction","x-ray","0.4128","","","","","","","0.12698","","0.15752","","3.196","","","","","","","has coordinates","219552","2020-10-21","18:00:00","" "4003011","3.3379","0.0005","3.3379","0.0005","12.2147","0.0018","90","","90","","120","","117.86","0.03","273","2","273","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Nb2 Pd0.45 S4 -","- Nb2 Pd0.45 S4 -","- Nb2 Pd0.45 S4 -","1","0.0416667","","Huang, Chong; Wang, Xin; Wang, Dong; Zhao, Wei; Bu, Kejun; Xu, Jijian; Huang, Xieyi; Bi, Qingyuan; Huang, Jian; Huang, Fuqiang","Atomic Pillar Effect in PdxNbS2 To Boost Basal Plane Activity for Stable Hydrogen Evolution","Chemistry of Materials","2019","31","13","4726","","10.1021/acs.chemmater.9b00821","","","0.71073","MoKα","","0.0294","0.0223","","","0.0478","0.0484","","","","","","1.085","","","","has coordinates","220434","2020-10-21","18:00:00","" "4003441","9.8431","0.0014","9.8431","0.0014","10.8128","0.0013","90","","90","","120","","907.3","0.2","383","2","383","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C10 H17 Br Cd N4 S3 -","- C9.98 Br Cd N4 S3 -","- C19.96 Br2 Cd2 N8 S6 -","2","0.0833333","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.4592","0.3351","","","0.5509","0.5691","","","","","","1.336","","","","has coordinates","245091","2020-10-21","18:00:00","" "4003442","9.5649","0.001","9.5649","0.001","10.7489","0.0009","90","","90","","120","","851.64","0.14","308","2","308","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C10 H17 Cd F N4 S3 -","- C9.98 Cd F N4 S3 -","- C19.96 Cd2 F2 N8 S6 -","2","0.0833333","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.2098","0.173","","","0.3526","0.3558","","","","","","1.183","","","","has coordinates","245092","2020-10-21","18:00:00","" "4003445","9.7644","0.0014","9.7644","0.0014","10.8126","0.0015","90","","90","","120","","892.8","0.2","360","2","360","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C10 H17 Cd Cl N4 S3 -","- C9.98 Cd Cl N4 S3 -","- C19.96 Cd2 Cl2 N8 S6 -","2","0.0833333","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.2315","0.1876","","","0.3751","0.3811","","","","","","1.519","","","","has coordinates","245095","2020-10-21","18:00:00","" "4003446","9.5741","0.0008","9.5741","0.0008","10.7918","0.0006","90","","90","","120","","856.68","0.11","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C10 H18 Cd N4 S3 -","- C9.98 Cd N4 S3 -","- C19.96 Cd2 N8 S6 -","2","0.0833333","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.2203","0.203","","","0.3833","0.3848","","","","","","1.173","","","","has coordinates","245096","2020-10-21","18:00:00","" "4004005","10.4505","0.0008","10.4505","0.0008","23.2226","0.0013","90","","90","","120","","2196.4","0.3","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C21 H0 Bi2 Br9 N3 -","- C21.02 Bi2 Br9 N2.98 -","- C42.04 Bi4 Br18 N5.96 -","2","0.0833333","","Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi","Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01699","","","0.71073","MoKα","","0.0934","0.0822","","","0.2331","0.2405","","","","","","1.113","","","","has coordinates","267567","2021-07-15","22:36:07","" "4004082","4.11494","0.00016","4.11494","0.00016","16.0144","0.0007","90","","90","","120","","234.838","0.016","293","2","293","3","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Cs Gd S2 -","- Cs Gd S2.00012 -","- Cs2 Gd2 S4.00024 -","2","0.0833333","","Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.","'NaGdS2: a promising sulfide for cryogenic magnetic cooling'","Chemistry of Materials","2022","34","4","1829","1837","10.1021/acs.chemmater.1c04105","powder diffraction","","","X-ray","","","","","","","","","24.0632","","","","","","","","has coordinates","281152","2023-02-27","10:53:48","" "4030506","7.3309","0.0005","7.3309","0.0005","16.775","0.002","90","","90","","120","","780.74","0.12","","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Cs3 Ge2 O13 Sb3 -","- Cs2.99 Ge2 O13 Sb3 -","- Cs5.98 Ge4 O26 Sb6 -","2","0.0833333","","Pagnoux, C.; Verbaere, A.; Piffard, Y.; Tournoux, M.","Crystal structure of Cs3Sb3O6(GeO7), its relationship with K3Sb3O6(PO4)2","European Journal of Solid State and Inorganic Chemistry","1993","30","","111","123","","","x-ray","0.71073","MoKα","","","0.041","","","0.047","","","","","","","","","","","has coordinates","178484","2020-10-21","18:00:00","" "4030644","5.958","0.002","5.958","0.002","18.045","0.003","90","","90","","120","","554.7","0.3","","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba5 O10 Ru2 -","- Ba5 O10 Ru2 -","- Ba10 O20 Ru4 -","2","0.0833333","","Dussarrat, C.; Fompeyrine, J.; Darriet, J.","Ba5Ru2O10 : A new structural model resulting from the stacking of [BaO3] and [Ba2O] mixed layers. Structural relationships to the hexagonal perovskite-type structures","European Journal of Solid State and Inorganic Chemistry","1994","31","","289","300","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0476","","","","","","","","has coordinates","178485","2020-10-21","18:00:00","" "4030705","5.707","0.002","5.707","0.002","13.31","0.006","90","","90","","120","","375.4","0.3","","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Al0.61 O11 Sr V5.39 -","- Al0.61 O11 Sr V5.39 -","- Al1.22 O22 Sr2 V10.78 -","2","0.0833333","","Norrestam, R.; Nygren, M.; Wen, T. L.","Crystal structure and electrical properties of SrAl0.61V5.39O11","European Journal of Solid State and Inorganic Chemistry","1994","31","","793","803","","","x-ray","0.71069","MoKα","","","0.027","","","0.034","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00","" "4030761","2.9478","0.0001","2.9478","0.0001","11.6985","0.0001","90","","90","","120","","88.035","0.004","","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Na0.5 Nb O2 -","- Na0.66 Nb O2 -","- Na1.32 Nb2 O4 -","2","0.0833333","","Tyutyunnik, A. P.; Zubkov, V. G.; Kellerman, D. G.; Pereliaev, V. A.; Kar Kin, A. E.; Svensson, G.","Synthesis, superconducting properties and structural (including electron diffraction) studies of NaxNbO2 and LixNbO2","European Journal of Solid State and Inorganic Chemistry","1996","33","","53","65","","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","0.053","","","","","","","","has coordinates","178486","2020-10-21","18:00:00","" "4030762","2.9275","0.0002","2.9275","0.0002","11.4672","0.0009","90","","90","","120","","85.11","0.011","","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Li0.64 Nb O2 -","- Li0.71 Nb O2 -","- Li1.42 Nb2 O4 -","2","0.0833333","","Tyutyunnik, A. P.; Zubkov, V. G.; Kellerman, D. G.; Pereliaev, V. A.; Kar Kin, A. E.; Svensson, G.","Synthesis, superconducting properties and structural (including electron diffraction) studies of NaxNbO2 and LixNbO2","European Journal of Solid State and Inorganic Chemistry","1996","33","","53","65","","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","0.034","","","","","","","","has coordinates","178486","2020-10-21","18:00:00","" "4030853","5.58968","0.00004","5.58968","0.00004","22.0141","0.0002","90","","90","","120","","595.67","0.008","","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Al11 La Ni O19 -","- Al11.346 La0.965 Ni0.654 O19 -","- Al22.692 La1.93 Ni1.308 O38 -","2","0.0833333","","Slagtern, A.; Fjellvag, H.","Nickel distribution on aluminium sites in LaNiAl11O19","European Journal of Solid State and Inorganic Chemistry","1996","33","","1241","1252","","powder diffraction","x-ray","1.098","","","","","","","","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00","" "4031180","4.126","","4.126","","6.666","","90","","90","","120","","98.278","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Mn0.6 Ni0.4) Te","","- Mn0.6 Ni0.4 Te -","- Mn0.6 Ni0.4 Te -","- Mn1.2 Ni0.8 Te2 -","2","0.0833333","","Kamat Dalal, V.N.; Keer, H.V.; Biswas, A.B.","Studies on some mixed chalcogenides","Journal of Inorganic and Nuclear Chemistry","1971","33","","2839","2845","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4031189","4.101","","4.101","","6.663","","90","","90","","120","","97.047","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","(Li0.04 Mn0.96) (Se0.15 Te0.85)","","- Li0.04 Mn0.96 Se0.15 Te0.85 -","- Li0.04 Mn0.96 Se0.15 Te0.85 -","- Li0.08 Mn1.92 Se0.3 Te1.7 -","2","0.0833333","","Panson, A.J.; Johnston, W.D.","A study of substituted MnTe","Journal of Inorganic and Nuclear Chemistry","1964","26","","705","710","","","","","","","","","","","","","","","","","","","","","","has coordinates","142929","2020-10-21","18:00:00","" "4031190","4.133","","4.133","","6.699","","90","","90","","120","","99.099","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Li0.09 Mn0.91) Te","","- Li0.09 Mn0.91 Te -","- Li0.09 Mn0.91 Te -","- Li0.18 Mn1.82 Te2 -","2","0.0833333","","Panson, A.J.; Johnston, W.D.","A study of substituted MnTe","Journal of Inorganic and Nuclear Chemistry","1964","26","","705","710","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4031255","5.74644","","5.74644","","24.0433","","90","","90","","120","","687.579","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba (Mn0.4 Fe0.6) O2.73","","- Ba Fe0.6 Mn0.4 O2.73 -","- Ba Fe0.5998 Mn0.4002 O2.7296 -","- Ba10 Fe5.998 Mn4.002 O27.296 -","10","0.416667","","Miranda, L.; Ramirez-Castellanos, J.; Hernando, M.; Varela, A.; Parras, M.; Gonzalez-Calbet, J.M.","Structural chemistry of a new 10H hexagonal perovskite: Ba Mn0.4 Fe0.6 O2.73","European Journal of Inorganic Chemistry","2007","2007","","2129","2135","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4031468","7.235","","7.235","","17.78","","90","","90","","120","","806.008","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs3 Fe2 Cl9","","- Cl9 Cs3 Fe2 -","- Cl9 Cs3 Fe2 -","- Cl18 Cs6 Fe4 -","2","0.0833333","","Kovsarnechan, M.T.; Roziere, J.; Mascherpa-Corral, D.","The iron trichloride-cesium chloride phase diagram, the crystal structure of cesium enneachlorodiferrate: Cs3 Fe2 Cl9","Journal of Inorganic and Nuclear Chemistry","1978","40","","2009","2011","","","","","","","","","","","","","","","","","","","","","","has coordinates","155262","2020-10-21","18:00:00","" "4031679","2.7277","","2.7277","","4.3204","","90","","90","","120","","27.839","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Re1.28 Ru0.72 -","- Re1.28 Ru0.72 -","- Re1.28 Ru0.72 -","1","0.0416667","","Savitskii, E.M.; Tylkina, M.A.; Polyakova, V.P.","Equilibrium diagram of alloys of the rhenium-ruthenium system","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1962","7","","224","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "4031773","5.256","","5.256","","16.95","","90","","90","","120","","405.519","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Fe2 Sc D2.91","","- D2.91 Fe2 Sc -","- D2.91 Fe2 Sc -","- D23.28 Fe16 Sc8 -","8","0.333333","","Yartys', V.A.; Burnasheva, V.V.; Fykin, L.E.; Fadeeva, N.V.; Sarin, V.A.; Semenenko, K.N.","The crystal and magnetic structure of the deuteride Sc Fe2 D2.9","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1986","31","","175","179","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4031807","3.31","","3.31","","12.039","","90","","90","","120","","114.229","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ga In O3 -","- Ga In O3 -","- Ga2 In2 O6 -","2","0.0833333","","Shannon, R.D.; Prewitt, C.T.","Synthesis and structure of phases in the In2 O3 - Ga2 O3 System","Journal of Inorganic and Nuclear Chemistry","1968","30","","1389","1398","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "4101551","14.2074","0.0002","14.2074","0.0002","31.2302","0.0009","90","","90","","120","","5459.27","0.19","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","MIL-96 (Al)","","","- C6 H2 Al1.56 O7.33 -","- C6 H2 Al1.55333 O7.32667 -","- C108 H36 Al27.96 O131.88 -","18","0.75","","Loiseau, Thierry; Lecroq, Ludovic; Volkringer, Christophe; Marrot, Jérôme; Férey, Gérard; Haouas, Mohamed; Taulelle, Francis; Bourrelly, Sandrine; Llewellyn, Philip L; Latroche, Michel","MIL-96, a porous aluminum trimesate 3D structure constructed from a hexagonal network of 18-membered rings and mu3-oxo-centered trinuclear units.","Journal of the American Chemical Society","2006","128","31","10223","10230","10.1021/ja0621086","","","0.71073","MoKα","","0.0717","0.0509","","","0.1578","0.1807","","","","","","1.139","","","","has coordinates","178761","2020-10-21","18:00:00","" "4102184","5.6995","0.0014","5.6995","0.0014","23.799","0.006","90","","90","","120","","669.5","0.3","","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba0.208 Co0.208 F0.042 O0.542 -","- Ba0.416667 Co0.416667 F0.063375 O1.08333 -","- Ba10 Co10 F1.521 O25.9998 -","24","1","","Olivier Mentré; Houria Kabbour; Ghislaine Ehora; Grégory Tricot; Sylvie Daviero-Minaud; Myung-Hwan Whangbo","Anion-Vacancy-Induced Magneto-Crystalline Anisotropy in Fluorine-Doped hexagonal Cobaltites","Journal of the American Chemical Society","2010","132","","4865","4875","10.1021/ja100170m","","","0.71073","MoKα","","0.032","0.0227","","","0.0225","0.0234","","","","2.96","2.96","2.82","","","","has coordinates","176432","2020-10-21","18:00:00","" "4102185","5.71","0.002","5.71","0.002","23.925","0.01","90","","90","","120","","675.5","0.4","","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba0.417 Co0.417 F0.083 O1.083 -","- Ba0.416667 Co0.416667 F0.063375 O1.08333 -","- Ba10 Co10 F1.521 O25.9998 -","24","1","","Olivier Mentré; Houria Kabbour; Ghislaine Ehora; Grégory Tricot; Sylvie Daviero-Minaud; Myung-Hwan Whangbo","Anion-Vacancy-Induced Magneto-Crystalline Anisotropy in Fluorine-Doped hexagonal Cobaltites","Journal of the American Chemical Society","2010","132","","4865","4875","10.1021/ja100170m","","","0.71073","MoKα","","0.0328","0.022","","","0.0221","0.023","","","","2.94","2.94","2.74","","","","has coordinates","176432","2020-10-21","18:00:00","" "4102405","3.957","0.002","3.95715","","6.138","0.001","90","","90","","120","","83.24","0.04","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- La2 O3 -","- La2 O3 -","- La4 O6 -","2","0.0833333","","Cao Wang; Ming-qiu Tan; Chun-mu Feng; Zhi-feng Ma; Shuai Jiang; Zhu-an Xu; Guang-han Cao; Kazuyuki Matsubayashi; Yoshiya Uwatoko","La2Co2Se2O3: A Quasi-Two-Dimensional Mott Insulator with Unusual Cobalt Spin State and Possible Orbital Ordering","Journal of the American Chemical Society","2010","132","","7069","7073","10.1021/ja1001295","powder diffraction","","1.54056","CuK\α~1~","","","","","","","","","","1.42","","","","","","","has coordinates","178770","2020-10-21","18:00:00","" "4107051","11.091","0.0016","11.091","0.0016","19.364","0.004","90","","90","","120","","2062.8","0.6","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","MIL-88B(2OH)","","","- C48 H38 Fe6 O44 -","- C48 H12 Fe6 O44 -","- C48 H12 Fe6 O44 -","1","0.0416667","","Patricia Horcajada; Fabrice Salles; Stefan Wuttke; Thomas Devic; Daniela Heurtaux; Guillaume Maurin; Alexandre Vimont; Marco Daturi; Olivier David; Emmanuel Magnier; Norbert Stock; Yaroslav Filinchuk; Dmitry Popov; Christian Riekel; Gérard Férey; Christian Serre","How Linker's Modification Controls Swelling Properties of Highly Flexible Iron(III) Dicarboxylates MIL-88","Journal of the American Chemical Society","2011","133","","17839","17847","10.1021/ja206936e","","","0.9613","synchrotron","","0.1883","0.1769","","","0.4176","0.4234","","","","","","1.834","","","","has coordinates","178816","2020-10-21","18:00:00","" "4107052","14.741","0.002","14.741","0.002","17.135","0.003","90","","90","","120","","3224.5","0.8","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","MIL-88B(4CH3)","","","- C72 H82 Fe6 O32 -","- C72 H72 Fe6 O32 -","- C72 H72 Fe6 O32 -","1","0.0416667","","Patricia Horcajada; Fabrice Salles; Stefan Wuttke; Thomas Devic; Daniela Heurtaux; Guillaume Maurin; Alexandre Vimont; Marco Daturi; Olivier David; Emmanuel Magnier; Norbert Stock; Yaroslav Filinchuk; Dmitry Popov; Christian Riekel; Gérard Férey; Christian Serre","How Linker's Modification Controls Swelling Properties of Highly Flexible Iron(III) Dicarboxylates MIL-88","Journal of the American Chemical Society","2011","133","","17839","17847","10.1021/ja206936e","","","0.9613","synchrotron","","0.2805","0.1924","","","0.4445","0.4757","","","","","","1.264","","","","has coordinates","178816","2020-10-21","18:00:00","" "4107322","21.4287","0.0007","21.4287","0.0007","23.3492","0.0009","90","","90","","120","","9285.3","0.6","120","2","120","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C74 H208 Co13 N18 O62 -","- C74 H108 Co13 N18 O62.04 -","- C148 H216 Co26 N36 O124.08 -","2","0.0833333","","Graham N. Newton; Geoffrey J. T. Cooper; Paul Kögerler; De-Liang Long; Leroy Cronin","Trading Templates: Supramolecular Transformations between {CoII13} and {CoII12} Nanoclusters","Journal of the American Chemical Society","2008","130","","790","791","10.1021/ja0768183","","","0.71073","MoKα","","0.1129","0.0778","","","0.2144","0.2478","","","","","","1.072","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00","" "4109878","16.173","0.0009","16.173","0.0009","19.7659","0.0015","90","","90","","120","","4477.4","0.5","173","2","173","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- Au1.05 H62 K7.5 O101 P2 W19.95 -","- Au1.05 K7.5 O85.5 P2 W19.95 -","- Au2.1 K15 O171 P4 W39.9 -","2","0.0833333","","Rui Cao; Travis M. Anderson; Paula M. B. Piccoli; Arthur J. Schultz; Thomas F. Koetzle; Yurii V. Geletii; Elena Slonkina; Britt Hedman; Keith O. Hodgson; Kenneth I. Hardcastle; Xikui Fang; Martin L. Kirk; Sushilla Knottenbelt; Paul Kögerler; Djamaladdin G. Musaev; Keiji Morokuma; Masashi Takahashi; Craig L. Hill","Terminal Gold-Oxo Complexes","Journal of the American Chemical Society","2007","129","","11118","11133","10.1021/ja072456n","","","0.71073","MoKα","","0.0639","0.0634","","","0.2677","0.2683","","","","","","1.248","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4110304","18.3532","0.0011","18.3532","0.0011","40.667","0.003","90","","90","","120","","11863.1","1.3","295","2","295","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","UMCM-150","","","- C30 H14 Cu3 O14 -","- C30 H14 Cu3 O14 -","- C180 H84 Cu18 O84 -","6","0.25","","Antek G. Wong-Foy; Olivier Lebel; Adam J. Matzger","Porous Crystal Derived from a Tricarboxylate Linker with Two Distinct Binding Motifs","Journal of the American Chemical Society","2007","129","","15740","15741","10.1021/ja0753952","","","1.5418","CuKα","","0.1576","0.0898","","","0.1912","0.2217","","","","","","1.089","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00","" "4111965","3.23439","0.00007","3.23439","","5.25266","","90","","90","","120","","47.5877","0.001","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","","- Mg -","- Mg -","- Mg2 -","2","0.0833333","","H. Gijs Schimmel; Jacques Huot; Laurent C. Chapon; Frans D. Tichelaar; Fokko M. Mulder","Hydrogen Cycling of Niobium and Vanadium Catalyzed Nanostructured Magnesium","Journal of the American Chemical Society","2005","127","","14348","14354","10.1021/ja051508a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178890","2020-10-21","18:00:00","" "4113101","5.057","0.002","5.057","0.002","5.42","0.003","90","","90","","120","","120.04","0.09","293","2","293","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ba Pt -","- Ba Pt -","- Ba2 Pt2 -","2","0.0833333","","Andrey Karpov; Jürgen Nuss; Ulrich Wedig; Martin Jansen","Covalently Bonded [Pt]-Chains in BaPt: Extension of the Zintl-Klemm Concept to Anionic Transition Metals?","Journal of the American Chemical Society","2004","126","","14123","14128","10.1021/ja0401186","","","0.71073","MoKα","","0.0319","0.0297","","","0.0787","0.0794","","","","","","1.372","","","","has coordinates","176432","2020-10-21","18:00:00","" "4114915","13.1698","0.0006","13.1698","0.0006","14.5054","0.0008","90","","90","","120","","2178.81","0.18","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- H6 O14 Rb2 Si4 V -","- O11.7367 Rb2 Si4 V -","- O70.42 Rb12 Si24 V6 -","6","0.25","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Open-Framework and Microporous Vanadium Silicates","Journal of the American Chemical Society","2002","124","","7812","7820","10.1021/ja020354l","","","0.71073","MoKα","","0.0938","0.0791","","","0.2442","0.2581","","","","","","1.099","","","","has coordinates","178920","2020-10-21","18:00:00","" "4115093","15.265","0.002","15.265","0.002","24.461","0.005","90","","90","","120","","4936.3","1.4","293","2","293","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- K6 Na6 O92 Sb2 W18 Zn3 -","- K6 Na6 O92 Sb2 W18 Zn3 -","- K12 Na12 O184 Sb4 W36 Zn6 -","2","0.0833333","","Dirk Volkmer; Björn Bredenkötter; Jörg Tellenbröker; Paul Kögerler; Dirk G. Kurth; Pit Lehmann; Heimo Schnablegger; Dietmar Schwahn; Markus Piepenbrink; Bernt Krebs","Structure and Properties of the Dendron-Encapsulated Polyoxometalate (C52H60NO12)12[(Mn(H2O))3(SbW9O33)2], a First Generation Dendrizyme","Journal of the American Chemical Society","2002","124","","10489","10496","10.1021/ja017613b","","","0.71073","MoKα","","0.0512","0.0488","","","0.1278","0.1294","","","","","","1.227","","","","has coordinates,has disorder","178921","2020-10-21","18:00:00","" "4115315","5.782","0.0002","5.782","0.0002","14.149","0.0008","90","","90","","120","","409.65","0.03","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba3 Li O9 Ru2 -","- Ba3 Li O9 Ru2 -","- Ba6 Li2 O18 Ru4 -","2","0.0833333","","Katharine E. Stitzer; Mark D. Smith; William R. Gemmill; Hans-Conrad zur Loye","Novel Mixed-Valent (V/VI) Triple Perovskite Ruthenates: Observation of a Complex Low-Temperature Structural and Magnetic Transition","Journal of the American Chemical Society","2002","124","","13877","13885","10.1021/ja0271781","","","0.71073","MoKα","","0.0368","0.0293","","","0.0673","0.0708","","","","","","1.089","","","","has coordinates","178924","2020-10-21","18:00:00","" "4115316","5.8729","0.0002","5.8729","0.0002","14.4676","0.0007","90","","90","","120","","432.15","0.03","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba3 Na O9 Ru2 -","- Ba3 Na O9 Ru2 -","- Ba6 Na2 O18 Ru4 -","2","0.0833333","","Katharine E. Stitzer; Mark D. Smith; William R. Gemmill; Hans-Conrad zur Loye","Novel Mixed-Valent (V/VI) Triple Perovskite Ruthenates: Observation of a Complex Low-Temperature Structural and Magnetic Transition","Journal of the American Chemical Society","2002","124","","13877","13885","10.1021/ja0271781","","","0.71073","MoKα","","0.0233","0.0213","","","0.0485","0.0494","","","","","","1.138","","","","has coordinates","178924","2020-10-21","18:00:00","" "4119777","8.21693","0.00058","8.21693","","13.1705","0.0017","90","","90","","120","","770.11","0.11","295","","295","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- C2 N2 Zn -","- C2 N2 Zn -","- C8 N8 Zn4 -","4","0.166667","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.615183","synchrotron","","","","","","","","","","0.621","","","","","","","has coordinates","178968","2020-10-21","18:00:00","" "4119778","8.1756","0.00068","8.175597","","12.9513","0.0014","90","","90","","120","","749.69","0.1","295","","295","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- C2 N2 Zn -","- C2 N2 Zn -","- C8 N8 Zn4 -","4","0.166667","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.615183","synchrotron","","","","","","","","","","1.104","","","","","","","has coordinates","178968","2020-10-21","18:00:00","" "4120830","19.2095","0.0005","19.2095","0.0005","36.0245","0.0009","90","","90","","120","","11512.3","0.5","228","2","228","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C86 H42 Br6 Cr3 N6 O42 Zn6 -","- C85.98 H42 Br6 Cr3 N6 O42 Zn6 -","- C171.96 H84 Br12 Cr6 N12 O84 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.0571","0.0459","","","0.1493","0.1591","","","","","","1.079","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00","" "4120831","19.0306","0.0005","19.0306","0.0005","36.2445","0.0008","90","","90","","120","","11367.8","0.5","228","2","228","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C77 H36 Cr3 N6 O48 Zn6 -","- C76.98 H36 Cr3 N6 O48 Zn6 -","- C153.96 H72 Cr6 N12 O96 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.0379","0.0334","","","0.0923","0.0956","","","","","","1.068","","","","has coordinates","178985","2020-10-21","18:00:00","" "4120832","18.9479","0.0004","18.9479","0.0004","35.9127","0.0008","90","","90","","120","","11166.1","0.4","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C86 H48 Cr3 N6 O42 Zn6 -","- C85.98 H48 Cr3 N6 O42 Zn6 -","- C171.96 H96 Cr6 N12 O84 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.0655","0.0513","","","0.1701","0.1792","","","","","","1.073","","","","has coordinates","178985","2020-10-21","18:00:00","" "4120833","19.277","0.005","19.277","0.005","36.023","0.009","90","","90","","120","","11593","5","228","2","228","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C92 H60 Cr3 N6 O42 Zn6 -","- C91.98 H60 Cr3 N6 O42 Zn6 -","- C183.96 H120 Cr6 N12 O84 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.065","0.0471","","","0.1231","0.1297","","","","","","1.011","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00","" "4120834","19.1692","0.0012","19.1692","0.0012","35.986","0.004","90","","90","","120","","11451.8","1.6","228","2","228","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C85 H54 Cr3 N12 O43 Zn6 -","- C85.002 H54 Cr3 N12 O43.002 Zn6 -","- C170.004 H108 Cr6 N24 O86.004 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.0626","0.0549","","","0.1808","0.1887","","","","","","1.148","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00","" "4120835","19.2087","0.001","19.2087","0.001","36.042","0.004","90","","90","","120","","11516.9","1.5","228","2","228","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C86 H42 Cr3 N12 O54 Zn6 -","- C85.98 H42 Cr3 N12 O54 Zn6 -","- C171.96 H84 Cr6 N24 O108 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.0701","0.0493","","","0.1234","0.1301","","","","","","1.096","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00","" "4120836","19.204","0.0014","19.204","0.0014","35.998","0.003","90","","90","","120","","11497.2","1.5","228","2","228","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C87.5 H48 Cr3 N6 O48 Zn6 -","- C87.48 H48 Cr3 N6 O48 Zn6 -","- C174.96 H96 Cr6 N12 O96 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.0515","0.0408","","","0.1187","0.1241","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4120837","19.2343","0.0007","19.2343","0.0007","36.009","0.0013","90","","90","","120","","11537","0.7","228","2","228","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C92 H60 Cr3 N6 O48 Zn6 -","- C91.98 H60 Cr3 N6 O48 Zn6 -","- C183.96 H120 Cr6 N12 O96 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.0553","0.0471","","","0.1487","0.1568","","","","","","1.094","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00","" "4120838","19.0495","0.0005","19.0495","0.0005","36.0366","0.0009","90","","90","","120","","11325.1","0.5","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C110 H96 Cr3 N6 O42 Zn6 -","- C109.98 H96 Cr3 N6 O42 Zn6 -","- C219.96 H192 Cr6 N12 O84 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.0673","0.0605","","","0.1845","0.1925","","","","","","1.11","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00","" "4121376","2.85176","","2.85176","","10.98618","","90","","90","","120","","77.375","","","","300","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Co0.6 Mo1.4 N2 -","- Co0.6 Mo1.4 N2 -","- Co1.2 Mo2.8 N4 -","2","0.0833333","","Bingfei Cao; Gabriel M. Veith; Joerg C. Neuefeind; Radoslav R. Adzic; Peter G. Khalifah","Mixed Close-Packed Cobalt Molybdenum Nitrides as Non-noble Metal Electrocatalysts for the Hydrogen Evolution Reaction","Journal of the American Chemical Society","2013","135","","19186","19192","10.1021/ja4081056","","","","Neutron,TOF","","4.975","","","5.935","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4121377","2.85148","0.000033","2.85148","0.000033","10.98899","0.0003","90","","90","","120","","77.38","0.002","","","300","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Co0.6 Mo1.4 N2 -","- Co0.5655 Mo1.4345 N2 -","- Co1.131 Mo2.869 N4 -","2","0.0833333","","Bingfei Cao; Gabriel M. Veith; Joerg C. Neuefeind; Radoslav R. Adzic; Peter G. Khalifah","Mixed Close-Packed Cobalt Molybdenum Nitrides as Non-noble Metal Electrocatalysts for the Hydrogen Evolution Reaction","Journal of the American Chemical Society","2013","135","","19186","19192","10.1021/ja4081056","","","","x-ray","","9.414","","","11.344","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4123309","4.63839","0.00002","4.63839","0.00002","16.83143","0.00014","90","","90","","120","","313.607","0.003","295","","295","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Au La Sb -","- Au La Sb -","- Au4 La4 Sb4 -","4","0.166667","","Seibel, Elizabeth M.; Schoop, Leslie M.; Xie, Weiwei; Gibson, Quinn D.; Webb, James B.; Fuccillo, Michael K.; Krizan, Jason W.; Cava, Robert J.","Gold-Gold Bonding: The Key to Stabilizing the 19-Electron Ternary Phases LnAuSb (Ln = La-Nd and Sm).","Journal of the American Chemical Society","2015","137","3","1282","1289","10.1021/ja511394q","powder diffraction","","0.41372","","","","","","","","","","20.9","1.644","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4123310","4.58003","","4.58003","","16.47753","","90","","90","","120","","299.336","","295","","295","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Au Nd Sb -","- Au1.0001 Nd Sb1.0001 -","- Au4.0004 Nd4 Sb4.0004 -","4","0.166667","","Seibel, Elizabeth M.; Schoop, Leslie M.; Xie, Weiwei; Gibson, Quinn D.; Webb, James B.; Fuccillo, Michael K.; Krizan, Jason W.; Cava, Robert J.","Gold-Gold Bonding: The Key to Stabilizing the 19-Electron Ternary Phases LnAuSb (Ln = La-Nd and Sm).","Journal of the American Chemical Society","2015","137","3","1282","1289","10.1021/ja511394q","powder diffraction","","0.41372","","","","","","","","","","7.68","1.805","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4123311","4.61403","0.00002","4.61403","0.00002","16.6348","0.0001","90","","90","","120","","306.697","0.003","295","","295","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Au Ce Sb -","- Au Ce Sb -","- Au4 Ce4 Sb4 -","4","0.166667","","Seibel, Elizabeth M.; Schoop, Leslie M.; Xie, Weiwei; Gibson, Quinn D.; Webb, James B.; Fuccillo, Michael K.; Krizan, Jason W.; Cava, Robert J.","Gold-Gold Bonding: The Key to Stabilizing the 19-Electron Ternary Phases LnAuSb (Ln = La-Nd and Sm).","Journal of the American Chemical Society","2015","137","3","1282","1289","10.1021/ja511394q","powder diffraction","","0.41372","","","","","","","","","","15.3","1.9","","","","","","","has coordinates","205567","2020-10-21","18:00:00","" "4123335","16.7775","0.0012","16.7775","0.0012","15.184","0.003","90","","90","","120","","3701.4","0.8","174","2","174","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 N6 Ni3 O13 -","- C42 H24 N6 Ni3 O13 -","- C84 H48 N12 Ni6 O26 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.04","0.0294","","","0.0662","0.0693","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00","" "4123336","16.7427","0.0004","16.7427","0.0004","15.3279","0.0008","90","","90","","120","","3721","0.2","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H18 N6 Ni3 O19 -","- C42 H18 N6 Ni3 O19 -","- C84 H36 N12 Ni6 O38 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.0747","0.052","","","0.1429","0.1514","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00","" "4123337","16.7446","0.0006","16.7446","0.0006","15.1964","0.0009","90","","90","","120","","3690","0.3","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H18 N9 Ni3 O13 -","- C42 H18 N9 Ni3 O13 -","- C84 H36 N18 Ni6 O26 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.0718","0.0548","","","0.1554","0.1629","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00","" "4123340","16.6492","0.0015","16.6492","0.0015","25.836","0.003","90","","90","","120","","6202.2","1.1","174","2","174","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C60 H36 N6 Ni3 O13 -","- C60 H36 N6 Ni3 O13 -","- C120 H72 N12 Ni6 O26 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.055","0.0355","","","0.0768","0.0817","","","","","","1.005","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00","" "4123341","20.6087","0.0002","20.6087","0.0002","22.7238","0.0005","90","","90","","120","","8358.2","0.2","174","2","174","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C66 H36 N6 Ni3 O16 -","- C66 H36 N6 Ni3 O16 -","- C132 H72 N12 Ni6 O32 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.1247","0.1058","","","0.3364","0.3604","","","","","","1.592","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00","" "4123952","6.313","","6.313","","5.074","","90","","90","","120","","175.127","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Cd Mg3 -","- Cd Mg3 -","- Cd2 Mg6 -","2","0.0833333","","Edwards, D.A.; Craig, R.S.; Wallace, W.E.","Magnesium-cadmium alloys. IV. The cadmium-rich alloys; some lattice parameters and phase relationships between 25 and 300 C. Structure of Mg Cd3","Journal of the American Chemical Society","1952","74","","5256","5262","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "4123953","6.2335","","6.2335","","5.0449","","90","","90","","120","","169.765","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Cd3 Mg -","- Cd3 Mg -","- Cd6 Mg2 -","2","0.0833333","","Edwards, D.A.; Wallace, W.E.; Craig, R.S.","Magnesium-cadmium alloys. IV. The cadmium-rich alloys; some lattice parameters and phase relationships between 25 and 300 C. Structure of Mg Cd3","Journal of the American Chemical Society","1952","52","","5256","5262","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "4123954","2.9999","","2.9999","","5.5158","","90","","90","","120","","42.989","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Cd0.9 Mg0.1)","","- Cd0.9 Mg0.1 -","- Cd0.906 Mg0.094 -","- Cd1.812 Mg0.188 -","2","0.0833333","","Edwards, D.A.; Wallace, W.E.; Craig, R.S.","Magnesium-cadmium alloys. IV. The cadmium-rich alloys; some lattice parameters and phase relationships between 25 and 300 C. Structure of Mg Cd3","Journal of the American Chemical Society","1952","52","","5256","5262","","","","","","","","","","","","","","","","","","","","","","has coordinates","145020","2020-10-21","18:00:00","" "4124514","3.611","","3.611","","12.818","","90","","90","","120","","144.746","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Zr2 N2 S","","- N2 S Zr2 -","- N2 S Zr2 -","- N4 S2 Zr4 -","2","0.0833333","","Stoltz, C.; Sirchio, S.A.; Ramesha, K.; Gonen, Z.S.; Eichhorn, B.W.; Salamanca-Riba, L.; Gopalakrishnan, J.","Topochemical anion metathesis routes to the Zr2 N2 S phases and the Na2 S and A Cl derivatives (A = Na, K, Rb)","Journal of the American Chemical Society","2003","125","","4285","4292","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4124647","3.99","","3.99","","5.66","","90","","90","","120","","78.036","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Rh Te -","- Rh Te -","- Rh2 Te2 -","2","0.0833333","","Geller, S.","The Crystal Structures of Rh Te and Rh Te2","Journal of the American Chemical Society","1955","77","","2641","2644","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "4124649","5.59","","5.59","","4.82","","90","","90","","120","","130.437","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ba (Co O3)","","- Ba Co O3 -","- Ba Co O3 -","- Ba2 Co2 O6 -","2","0.0833333","","Gushee, B.E.; Katz, L.; Ward, R.","The preparation of a barium cobalt oxide and other phases with similar structures","Journal of the American Chemical Society","1957","79","","5601","5603","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4124672","7.49","","7.49","","8.01","","90","","90","","120","","389.159","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Sb Cl5","","- Cl5 Sb -","- Cl5 Sb -","- Cl10 Sb2 -","2","0.0833333","","Ohlberg, S.M.","The crystal structure of antimony pentachloride at -30 C","Journal of the American Chemical Society","1959","81","","811","813","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4126000","31.731","0.006","31.731","0.006","28.412","0.006","90","","90","","120","","24774","8","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","ZIF-615","","","- C40 H23 Cl4 N20 O8 Zn4 -","- C40 H23 Cl4 N20 O8 Zn4 -","- C480 H276 Cl48 N240 O96 Zn48 -","12","0.5","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","0.8999","synchrotron","","0.2577","0.1933","","","0.4933","0.55","","","","","","1.084","","","","has coordinates,has disorder","197442","2020-10-21","18:00:00","" "4126004","27.0807","0.0016","27.0807","0.0016","16.7619","0.0016","90","","90","","120","","10645.7","1.4","100","2","100","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","ZIF-486","","","- C7.5 H7.4 N4.2 O0.4 Zn -","- C7.5 H7.4 N4.2 O0.4 Zn -","- C180 H177.6 N100.8 O9.6 Zn24 -","24","1","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","0.7749","","","0.1382","0.1153","","","0.3275","0.3525","","","","","","1.02","","","","has coordinates,has disorder","197442","2020-10-21","18:00:00","" "4126185","25.9453","0.0006","25.9453","0.0006","19.5015","0.0006","90","","90","","120","","11368.8","0.5","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","ZIF-410","","","- C11 H7 Cl N4 O Zn -","- C11 H7 Cl N4 O Zn -","- C264 H168 Cl24 N96 O24 Zn24 -","24","1","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","1.54178","CuKα","","0.0765","0.0692","","","0.2403","0.2506","","","","","","1.138","","","","has coordinates,has disorder","197307","2020-10-21","18:00:00","" "4126412","27.0265","0.0008","27.0265","0.0008","17.8985","0.0009","90","","90","","120","","11322.1","0.7","250","","250","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C12 H11 N9 O2 Zn2 -","- C12 H11 N9 O2 Zn2 -","- C144 H132 N108 O24 Zn24 -","12","0.5","","Furlong, Brandon J.; Katz, Michael J.","Bistable Dithienylethene-Based Metal-Organic Framework Illustrating Optically Induced Changes in Chemical Separations.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07856","","x-ray","0.71073","MoKα","","0.2066","0.1464","","0.3549","0.3125","0.303","","","","","","0.8295","","","","has coordinates,has disorder","204144","2020-10-21","18:00:00","" "4126413","27.2188","0.0005","27.2188","0.0005","17.0357","0.0008","90","","90","","120","","10930.2","0.6","250","0.1","250","0.1","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C12.67 H8.6 N7.42 O2.84 S0.5 Zn1.5 -","- C12.6663 H8.598 N7.4175 O2.835 S0.49995 Zn1.5 -","- C202.661 H137.568 N118.68 O45.36 S7.9992 Zn24 -","16","0.666667","","Furlong, Brandon J.; Katz, Michael J.","Bistable Dithienylethene-Based Metal-Organic Framework Illustrating Optically Induced Changes in Chemical Separations.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07856","","x-ray","1.54184","CuKα","","0.1476","0.123","","0.41","0.3719","0.3664","","","","","","3.3025","","","","has coordinates,has disorder","204144","2020-10-21","18:00:00","" "4126414","27.2188","0.0005","27.2188","0.0005","17.0357","0.0008","90","","90","","120","","10930.2","0.6","250","0.1","250","0.1","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C9.69 H8.32 N7.43 O2.86 S0.09 Zn1.5 -","- C9.693 H8.32575 N7.43025 O2.8605 S0.0945 Zn1.5 -","- C155.088 H133.212 N118.884 O45.768 S1.512 Zn24 -","16","0.666667","","Furlong, Brandon J.; Katz, Michael J.","Bistable Dithienylethene-Based Metal-Organic Framework Illustrating Optically Induced Changes in Chemical Separations.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07856","","x-ray","1.54184","CuKα","","0.1379","0.1143","","0.1974","0.1393","0.1581","","","","","","1.0152","","","","has coordinates,has disorder","204144","2020-10-21","18:00:00","" "4127329","7.4001","0.0008","7.4001","0.0008","13.0435","0.0007","90","","90","","120","","618.59","0.1","473","2","473","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C6 Co Dy N6 -","- C6 Co Dy N6 -","- C12 Co2 Dy2 N12 -","2","0.0833333","","Xin, Yue; Wang, Junhao; Zychowicz, Mikolaj; Zakrzewski, Jakub J.; Nakabayashi, Koji; Sieklucka, Barbara; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Dehydration-Hydration Switching of Single-Molecule Magnet Behavior and Visible Photoluminescence in a Cyanido-Bridged DyIIICoIII Framework.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09103","","x-ray","0.71075","MoKα","","0.0628","0.0605","","","0.0712","0.0716","","","","","","1.699","","","","has coordinates","220596","2020-10-21","18:00:00","" "4127955","3.9548","0.00012","3.9548","0.00012","24.0993","0.0012","90","","90","","120","","326.43","0.02","180","0.1","180","0.1","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Bi2.72 Cs1.03 Mn1.28 S6 -","- Bi2.7204 Cs1.03 Mn1.2796 S6 -","- Bi2.7204 Cs1.03 Mn1.2796 S6 -","1","0.0416667","","Wang, Ruiqi; Chen, Haijie; Xiao, Yi; Hadar, Ido; Bu, Kejun; Zhang, Xian; Pan, Jie; Gu, Yuhao; Guo, Zhongnan; Huang, Fuqiang; Kanatzidis, Mercouri G.","K x [Bi4-xMn x S6], Design of a Highly Selective Ion Exchange Material and Direct Gap 2D Semiconductor.","Journal of the American Chemical Society","2019","141","42","16903","16914","10.1021/jacs.9b08674","","","0.71073","MoKα","","0.0344","0.0337","","","0.0828","0.0833","","","","","","1.274","","","","has coordinates","221107","2020-10-21","18:00:00","" "4127956","3.95293","0.00014","3.95293","0.00014","23.5976","0.0015","90","","90","","120","","319.33","0.03","179.99","0.1","179.99","0.1","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Bi2.72 Mn1.28 Rb0.88 S6 -","- Bi2.7204 Mn1.28 Rb0.88 S6 -","- Bi2.7204 Mn1.28 Rb0.88 S6 -","1","0.0416667","","Wang, Ruiqi; Chen, Haijie; Xiao, Yi; Hadar, Ido; Bu, Kejun; Zhang, Xian; Pan, Jie; Gu, Yuhao; Guo, Zhongnan; Huang, Fuqiang; Kanatzidis, Mercouri G.","K x [Bi4-xMn x S6], Design of a Highly Selective Ion Exchange Material and Direct Gap 2D Semiconductor.","Journal of the American Chemical Society","2019","141","42","16903","16914","10.1021/jacs.9b08674","","","0.71073","MoKα","","0.0386","0.0386","","","0.0848","0.0848","","","","","","1.319","","","","has coordinates","221108","2020-10-21","18:00:00","" "4127957","3.9521","0.00014","3.9521","0.00014","23.0937","0.0016","90","","90","","120","","312.38","0.03","180","0.02","180","0.02","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Bi2.72 K1.28 Mn1.28 S6 -","- Bi2.7196 K1.282 Mn1.2804 S6 -","- Bi2.7196 K1.282 Mn1.2804 S6 -","1","0.0416667","","Wang, Ruiqi; Chen, Haijie; Xiao, Yi; Hadar, Ido; Bu, Kejun; Zhang, Xian; Pan, Jie; Gu, Yuhao; Guo, Zhongnan; Huang, Fuqiang; Kanatzidis, Mercouri G.","K x [Bi4-xMn x S6], Design of a Highly Selective Ion Exchange Material and Direct Gap 2D Semiconductor.","Journal of the American Chemical Society","2019","141","42","16903","16914","10.1021/jacs.9b08674","","","0.71073","MoKα","","0.0266","0.0238","","","0.0512","0.0519","","","","","","1.269","","","","has coordinates","221109","2020-10-21","18:00:00","" "4127958","3.94702","0.00017","3.94702","0.00017","23.4271","0.0017","90","","90","","120","","316.07","0.03","180","0.1","180","0.1","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Bi2.72 Mn1.28 S6 Zn0.64 -","- Bi2.7204 Mn1.28 S6 Zn0.64 -","- Bi2.7204 Mn1.28 S6 Zn0.64 -","1","0.0416667","","Wang, Ruiqi; Chen, Haijie; Xiao, Yi; Hadar, Ido; Bu, Kejun; Zhang, Xian; Pan, Jie; Gu, Yuhao; Guo, Zhongnan; Huang, Fuqiang; Kanatzidis, Mercouri G.","K x [Bi4-xMn x S6], Design of a Highly Selective Ion Exchange Material and Direct Gap 2D Semiconductor.","Journal of the American Chemical Society","2019","141","42","16903","16914","10.1021/jacs.9b08674","","","0.71073","MoKα","","0.0345","0.0326","","","0.0761","0.0772","","","","","","1.392","","","","has coordinates","221110","2020-10-21","18:00:00","" "4128230","12.9009","0.001","12.9009","0.001","18.2641","0.001","90","","90","","120","","2632.5","0.3","150","2","150.15","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C24 H12 Fe3 N3 O16 -","- C24 H12 Fe3 N3 O16 -","- C48 H24 Fe6 N6 O32 -","2","0.0833333","","Wei, Yong-Sheng; Zhang, Mei; Kitta, Mitsunori; Liu, Zheng; Horike, Satoshi; Xu, Qiang","A Single-Crystal Open-Capsule Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","19","7906","7916","10.1021/jacs.9b02417","","","0.71073","MoKα","","0.0833","0.0626","","","0.2096","0.2274","","","","","","1.159","","","","has coordinates","221359","2020-10-21","18:00:00","" "4128231","16.8853","0.0004","16.8853","0.0004","14.8612","0.0005","90","","90","","120","","3669.46","0.17","150","2","150.15","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C44 H20 Fe3 N7 O13 -","- C44.0001 H20.0013 Fe3 N6.9999 O13 -","- C88.0002 H40.0026 Fe6 N13.9998 O26 -","2","0.0833333","","Wei, Yong-Sheng; Zhang, Mei; Kitta, Mitsunori; Liu, Zheng; Horike, Satoshi; Xu, Qiang","A Single-Crystal Open-Capsule Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","19","7906","7916","10.1021/jacs.9b02417","","","0.71073","MoKα","","0.0465","0.0416","","","0.1281","0.1318","","","","","","1.066","","","","has coordinates,has disorder","221360","2020-10-21","18:00:00","" "4128524","8.0135","0.0002","8.0135","0.0002","13.1776","0.0003","90","","90","","120","","732.84","0.03","301","2","301","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Cs2 F16 Mn U3 -","- Cs2 F16 Mn U3 -","- Cs4 F32 Mn2 U6 -","2","0.0833333","","Klepov, Vladislav V.; Pace, Kristen A.; Calder, Stuart; Felder, Justin B.; Loye, Hans-Conrad Zur","3d-Metal Induced Magnetic Ordering on U(IV) Atoms as a Route toward U(IV) Magnetic Materials.","Journal of the American Chemical Society","2019","141","9","3838","3842","10.1021/jacs.9b00345","","","0.71073","MoKα","","0.012","0.012","","","0.0277","0.0277","","","","","","1.022","","","","has coordinates","221606","2020-10-21","18:00:00","" "4128525","7.9849","0.0002","7.9849","0.0002","12.9721","0.0003","90","","90","","120","","716.28","0.03","300","2","300","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Cs2 F16 U3 Zn -","- Cs2 F16 U3 Zn -","- Cs4 F32 U6 Zn2 -","2","0.0833333","","Klepov, Vladislav V.; Pace, Kristen A.; Calder, Stuart; Felder, Justin B.; Loye, Hans-Conrad Zur","3d-Metal Induced Magnetic Ordering on U(IV) Atoms as a Route toward U(IV) Magnetic Materials.","Journal of the American Chemical Society","2019","141","9","3838","3842","10.1021/jacs.9b00345","","","0.71073","MoKα","","0.0112","0.0112","","","0.0251","0.0251","","","","","","1.005","","","","has coordinates","221607","2020-10-21","18:00:00","" "4128526","7.9778","0.0005","7.9778","0.0005","12.9039","0.001","90","","90","","120","","711.24","0.08","300","2","300","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Cs2 F16 Ni U3 -","- Cs2 F16 Ni U3 -","- Cs4 F32 Ni2 U6 -","2","0.0833333","","Klepov, Vladislav V.; Pace, Kristen A.; Calder, Stuart; Felder, Justin B.; Loye, Hans-Conrad Zur","3d-Metal Induced Magnetic Ordering on U(IV) Atoms as a Route toward U(IV) Magnetic Materials.","Journal of the American Chemical Society","2019","141","9","3838","3842","10.1021/jacs.9b00345","","","0.71073","MoKα","","0.0145","0.0145","","","0.0322","0.0322","","","","","","1.04","","","","has coordinates","221608","2020-10-21","18:00:00","" "4128527","7.9891","0.0001","7.9891","0.0001","13.006","0.0002","90","","90","","120","","718.903","0.017","301","2","301","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Co Cs2 F16 U3 -","- Co Cs2 F16 U3 -","- Co2 Cs4 F32 U6 -","2","0.0833333","","Klepov, Vladislav V.; Pace, Kristen A.; Calder, Stuart; Felder, Justin B.; Loye, Hans-Conrad Zur","3d-Metal Induced Magnetic Ordering on U(IV) Atoms as a Route toward U(IV) Magnetic Materials.","Journal of the American Chemical Society","2019","141","9","3838","3842","10.1021/jacs.9b00345","","","0.71073","MoKα","","0.0116","0.0116","","","0.0261","0.0261","","","","","","1.073","","","","has coordinates","221609","2020-10-21","18:00:00","" "4128528","7.9753","0.0002","7.9753","0.0002","12.8826","0.0003","90","","90","","120","","709.62","0.03","301","2","301","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Cs2 F16 Mg U3 -","- Cs2 F16 Mg U3 -","- Cs4 F32 Mg2 U6 -","2","0.0833333","","Klepov, Vladislav V.; Pace, Kristen A.; Calder, Stuart; Felder, Justin B.; Loye, Hans-Conrad Zur","3d-Metal Induced Magnetic Ordering on U(IV) Atoms as a Route toward U(IV) Magnetic Materials.","Journal of the American Chemical Society","2019","141","9","3838","3842","10.1021/jacs.9b00345","","","0.71073","MoKα","","0.0091","0.0091","","","0.0209","0.0209","","","","","","1","","","","has coordinates","221610","2020-10-21","18:00:00","" "4128775","28.6282","0.0014","28.6282","0.0014","25.6439","0.0012","90","","90","","120","","18201.3","1.5","100","2","100.02","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C120 H60 Hf6 N12 O32 -","- C120 H60 Hf6 N12 O32 -","- C240 H120 Hf12 N24 O64 -","2","0.0833333","","Zhao, Yanming; Qi, Shibo; Niu, Zheng; Peng, Yunlei; Shan, Chuan; Verma, Gaurav; Wojtas, Lukasz; Zhang, Zhenjie; Zhang, Bao; Feng, Yaqing; Chen, Yu-Sheng; Ma, Shengqian","Robust Corrole-Based Metal-Organic Frameworks with Rare 9-Connected Zr/Hf-Oxo Clusters.","Journal of the American Chemical Society","2019","141","36","14443","14450","10.1021/jacs.9b07700","","","0.41328","synchrotron","","0.1384","0.0879","","","0.2468","0.3126","","","","","","1.04","","","","has coordinates,has disorder","221839","2020-10-21","18:00:00","" "4128776","28.6282","0.0014","28.6282","0.0014","25.6439","0.0012","90","","90","","120","","18201.3","1.5","100","2","100.02","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C120 H60 N12 O32 Zr6 -","- C118.5 H60 N12 O32 Zr6 -","- C237 H120 N24 O64 Zr12 -","2","0.0833333","","Zhao, Yanming; Qi, Shibo; Niu, Zheng; Peng, Yunlei; Shan, Chuan; Verma, Gaurav; Wojtas, Lukasz; Zhang, Zhenjie; Zhang, Bao; Feng, Yaqing; Chen, Yu-Sheng; Ma, Shengqian","Robust Corrole-Based Metal-Organic Frameworks with Rare 9-Connected Zr/Hf-Oxo Clusters.","Journal of the American Chemical Society","2019","141","36","14443","14450","10.1021/jacs.9b07700","","","1.54178","CuKα","","0.1144","0.0871","","","0.2788","0.3285","","","","","","1.192","","","","has coordinates,has disorder","221840","2020-10-21","18:00:00","" "4130912","13.81","0.02","13.81","0.02","18.33","0.03","90","","90","","120","","3027","8","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Cl2 In3 N9 O17 Zn2 -","- C30 H18 Cl1.698 In3 N9 O17.302 Zn2 -","- C60 H36 Cl3.396 In6 N18 O34.604 Zn4 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0873","0.0536","","","0.1391","0.1568","","","","","","1.05","","","","has coordinates","241266","2020-10-21","18:00:00","" "4130913","13.8618","0.0013","13.8618","0.0013","18.5079","0.0019","90","","90","","120","","3079.8","0.5","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Cl2 In3 N9 Ni2 O17 -","- C30 H18 Cl2.538 In3 N9 Ni2 O16.462 -","- C60 H36 Cl5.076 In6 N18 Ni4 O32.924 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0577","0.0372","","","0.0926","0.0983","","","","","","1.104","","","","has coordinates","241266","2020-10-21","18:00:00","" "4130914","13.857","0.007","13.857","0.007","17.925","0.009","90","","90","","120","","2981","3","174","2","174","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Fe4 Mg N9 O19 -","- C30 H18 Fe3.94 Mg1.06 N9 O19 -","- C60 H36 Fe7.88 Mg2.12 N18 O38 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.1848","0.1072","","","0.273","0.316","","","","","","1.036","","","","has coordinates","241266","2020-10-21","18:00:00","" "4130915","13.873","0.004","13.873","0.004","18.455","0.007","90","","90","","120","","3076","1.7","174","2","174","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Cl3 In5 N9 O16 -","- C30 H18 Cl2.82 In5 N9 O16.18 -","- C60 H36 Cl5.64 In10 N18 O32.36 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.1254","0.1001","","","0.3114","0.3381","","","","","","1.332","","","","has coordinates","241266","2020-10-21","18:00:00","" "4130916","14.0529","0.001","14.0529","0.001","18.4071","0.0013","90","","90","","120","","3148.1","0.4","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Cl3 In3 Mn2 N9 O16 -","- C30 H18 Cl3.06 In3 Mn2 N9 O15.94 -","- C60 H36 Cl6.12 In6 Mn4 N18 O31.88 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0564","0.0456","","","0.1552","0.1622","","","","","","1.228","","","","has coordinates","241266","2020-10-21","18:00:00","" "4130917","13.905","0.0006","13.905","0.0006","18.4663","0.0008","90","","90","","120","","3092.1","0.2","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Cl2 Co2 In3 N9 O17 -","- C30 H18 Cl2.04 Co2 In3 N9 O16.96 -","- C60 H36 Cl4.08 Co4 In6 N18 O33.92 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0347","0.029","","","0.0756","0.0791","","","","","","1.181","","","","has coordinates","241266","2020-10-21","18:00:00","" "4130918","13.9818","0.0002","13.9818","0.0002","18.3209","0.0003","90","","90","","120","","3101.73","0.08","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Cl3 Co2 In3 N12 O16 -","- C30 H18 Cl3.24 Co2 In3 N12 O15.76 -","- C60 H36 Cl6.48 Co4 In6 N24 O31.52 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0615","0.0498","","","0.1489","0.1539","","","","","","1.192","","","","has coordinates","241266","2020-10-21","18:00:00","" "4130920","14.1065","0.0009","14.1065","0.0009","18.2678","0.0012","90","","90","","120","","3148.2","0.4","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H24 Cl2 Co2 In3 N15 O17 -","- C30 H24 Cl2.4 Co2 In3 N15 O16.6 -","- C60 H48 Cl4.8 Co4 In6 N30 O33.2 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0529","0.0424","","","0.1273","0.1327","","","","","","1.112","","","","has coordinates","241266","2020-10-21","18:00:00","" "4130921","13.893","0.005","13.893","0.005","18.368","0.007","90","","90","","120","","3070","2","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H16 Cl2 Co2 In3 N9 O20 -","- C30 H6 Cl2.1 Co2 In3 N9 O19.9 -","- C60 H12 Cl4.2 Co4 In6 N18 O39.8 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0855","0.0622","","","0.185","0.1946","","","","","","1.169","","","","has coordinates","241266","2020-10-21","18:00:00","" "4130922","13.9738","0.0019","13.9738","0.0019","18.373","0.003","90","","90","","120","","3107","0.8","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H6 Cl2 Co2 In3 N12 O20 -","- C30 H6 Cl2.58 Co2 In3 N12 O19.42 -","- C60 H12 Cl5.16 Co4 In6 N24 O38.84 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0752","0.0501","","","0.1384","0.1475","","","","","","1.129","","","","has coordinates","241266","2020-10-21","18:00:00","" "4130923","13.804","0.003","13.804","0.003","18.435","0.003","90","","90","","120","","3042.2","1.1","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H6 Cl2 Co2 In3 N9 O23 -","- C30 H6 Cl1.02 Co2 In3 N9 O23.98 -","- C60 H12 Cl2.04 Co4 In6 N18 O47.96 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0675","0.0562","","","0.169","0.1772","","","","","","1.117","","","","has coordinates","241266","2020-10-21","18:00:00","" "4130925","15.727","0.003","15.727","0.003","16.957","0.004","90","","90","","120","","3632.2","1.3","174","2","174","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Ag3 In3 N9 O13 -","- C30 H18 Ag3 In3 N9 O13 -","- C60 H36 Ag6 In6 N18 O26 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0575","0.0441","","","0.1314","0.1387","","","","","","1.158","","","","has coordinates","241266","2020-10-21","18:00:00","" "4130926","15.7672","0.0007","15.7672","0.0007","16.6814","0.0008","90","","90","","120","","3591.5","0.3","174","2","174","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C30 H6 Cu3 Fe3 N9 O20 -","- C30 H6 Cu3 Fe3 N9 O20 -","- C60 H12 Cu6 Fe6 N18 O40 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.1328","0.1196","","","0.3559","0.3647","","","","","","2.997","","","","has coordinates","241266","2020-10-21","18:00:00","" "4131313","21.996","0.002","21.996","0.002","24.912","0.002","90","","90","","120","","10438.2","1.6","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C104 H103 N O52.5 Y9 -","- C104 H54 N0.9996 O49.202 Y9 -","- C208.001 H108 N1.9992 O98.404 Y18 -","2","0.0833333","","AbdulHalim, Rasha G.; Bhatt, Prashant M.; Belmabkhout, Youssef; Shkurenko, Aleksander; Adil, Karim; Barbour, Leonard J.; Eddaoudi, Mohamed","A Fine-Tuned Metal-Organic Framework for Autonomous Indoor Moisture Control.","Journal of the American Chemical Society","2017","139","31","10715","10722","10.1021/jacs.7b04132","","","0.71073","MoKα","","0.125","0.0839","","","0.2453","0.2731","","","","","","1.06","","","","has coordinates,has disorder","241544","2020-10-21","18:00:00","" "4131314","22.0149","0.0002","22.0149","0.0002","24.6746","0.0002","90","","90","","120","","10356.5","0.16","100","0.1","100","0.1","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C108 H106 N3 O47 Y9 -","- C108 H78 N3 O47 Y9 -","- C216 H156 N6 O94 Y18 -","2","0.0833333","","AbdulHalim, Rasha G.; Bhatt, Prashant M.; Belmabkhout, Youssef; Shkurenko, Aleksander; Adil, Karim; Barbour, Leonard J.; Eddaoudi, Mohamed","A Fine-Tuned Metal-Organic Framework for Autonomous Indoor Moisture Control.","Journal of the American Chemical Society","2017","139","31","10715","10722","10.1021/jacs.7b04132","","","1.54184","CuKα","","0.0806","0.0765","","","0.2505","0.2561","","","","","","1.061","","","","has coordinates,has disorder","241545","2020-10-21","18:00:00","" "4131315","22.1501","0.0005","22.1501","0.0005","24.4015","0.0007","90","","90","","120","","10368.1","0.4","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C104 H86 N O44 Y9 -","- C104 H54 N0.9996 O44 Y9 -","- C208.001 H108 N1.9992 O88 Y18 -","2","0.0833333","","AbdulHalim, Rasha G.; Bhatt, Prashant M.; Belmabkhout, Youssef; Shkurenko, Aleksander; Adil, Karim; Barbour, Leonard J.; Eddaoudi, Mohamed","A Fine-Tuned Metal-Organic Framework for Autonomous Indoor Moisture Control.","Journal of the American Chemical Society","2017","139","31","10715","10722","10.1021/jacs.7b04132","","","1.54178","CuKα","","0.0629","0.0572","","","0.1696","0.1756","","","","","","1.038","","","","has coordinates,has disorder","241546","2020-10-21","18:00:00","" "4131316","22.098","0.001","22.098","0.001","24.706","0.002","90","","90","","120","","10448.1","1.1","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C104 H240 N O121 Y9 -","- C104 H54 N0.9996 O56.5007 Y9 -","- C208.001 H108 N1.9992 O113.001 Y18 -","2","0.0833333","","AbdulHalim, Rasha G.; Bhatt, Prashant M.; Belmabkhout, Youssef; Shkurenko, Aleksander; Adil, Karim; Barbour, Leonard J.; Eddaoudi, Mohamed","A Fine-Tuned Metal-Organic Framework for Autonomous Indoor Moisture Control.","Journal of the American Chemical Society","2017","139","31","10715","10722","10.1021/jacs.7b04132","","","0.71073","MoKα","","0.1399","0.0824","","","0.2357","0.2731","","","","","","1.024","","","","has coordinates,has disorder","241547","2020-10-21","18:00:00","" "4131764","10.031","0.019","10.031","0.019","6.977","0.019","90","","90","","120","","608","2","433","2","433","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C0.21 H0.58 Br0.21 Mn0.05 N0.05 -","- C0.210442 H0.552411 Br0.210505 Mn0.0526316 N0.0526105 -","- C7.9968 H20.9916 Br7.9992 Mn2 N1.9992 -","38","1.58333","","Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen","Large Piezoelectric Effect in a Lead-Free Molecular Ferroelectric Thin Film.","Journal of the American Chemical Society","2017","139","49","18071","18077","10.1021/jacs.7b10449","","","0.71073","MoKα","","0.1973","0.1791","","","0.3923","0.4054","","","","","","1.41","","","","has coordinates,has disorder","241932","2020-10-21","18:00:00","" "4131892","9.59","0.0004","9.59","0.0004","7.0146","0.0005","90","","90","","120","","558.69","0.05","373","2","373","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C4 H11 Br3 Cd Cl N -","- C3.9984 H10.9956 Br3 Cd Cl0.9996 N0.9996 -","- C7.9968 H21.9912 Br6 Cd2 Cl1.9992 N1.9992 -","2","0.0833333","","Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen","Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response.","Journal of the American Chemical Society","2018","140","11","3975","3980","10.1021/jacs.7b12524","","","0.71073","MoKα","","0.0735","0.0644","","","0.1936","0.2059","","","","","","1.204","","","","has coordinates,has disorder","241983","2020-10-21","18:00:00","" "4132899","24.8037","0.0008","24.8037","0.0008","44.986","0.003","90","","90","","120","","23968.5","1.9","170","2","170","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C9 In35 N0 O15 S48 -","- C9 In35 O15 S48 -","- C36 In140 O60 S192 -","4","0.166667","","Yang, Huajun; Zhang, Jiaxu; Luo, Min; Wang, Wei; Lin, Haiping; Li, Youyong; Li, Dongsheng; Feng, Pingyun; Wu, Tao","The Largest Supertetrahedral Oxychalcogenide Nanocluster and Its Unique Assembly.","Journal of the American Chemical Society","2018","140","36","11189","11192","10.1021/jacs.8b07349","","","0.71073","MoKα","","0.115","0.0878","","","0.2804","0.3154","","","","","","1.142","","","","has coordinates,has disorder","242773","2020-10-21","18:00:00","" "4133058","10.0295","0.0004","10.0295","0.0004","8.0329","0.0004","90","","90","","120","","699.78","0.05","298","2","298","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C4 H11 Cl I3 N Pb -","- C4.0002 H11.0004 Cl I3 N Pb -","- C8.0004 H22.0008 Cl2 I6 N2 Pb2 -","2","0.0833333","","Hua, Xiu-Ni; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Zhao, Dewei; Xiong, Ren-Gen","A Room-Temperature Hybrid Lead Iodide Perovskite Ferroelectric.","Journal of the American Chemical Society","2018","140","38","12296","12302","10.1021/jacs.8b08286","","","0.71073","MoKα","","0.0541","0.0329","","","0.1158","0.127","","","","","","1.096","","","","has coordinates","242905","2020-10-21","18:00:00","" "4133060","10.0802","0.0005","10.0802","0.0005","8.0696","0.0005","90","","90","","120","","710.1","0.07","298","2","298","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C4 H11 Br I3 N Pb -","- C4.0002 H11.0004 Br1.0002 I3 N Pb -","- C8.0004 H22.0008 Br2.0004 I6 N2 Pb2 -","2","0.0833333","","Hua, Xiu-Ni; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Zhao, Dewei; Xiong, Ren-Gen","A Room-Temperature Hybrid Lead Iodide Perovskite Ferroelectric.","Journal of the American Chemical Society","2018","140","38","12296","12302","10.1021/jacs.8b08286","","","0.71073","MoKα","","0.0549","0.0486","","","0.16","0.1686","","","","","","1.055","","","","has coordinates","242907","2020-10-21","18:00:00","" "4133792","22.6832","0.0009","22.6832","0.0009","50.192","0.002","90","","90","","120","","22365.3","1.5","100","0.1","100","0.1","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C148 H180 Dy15 N31 Na2 O79 -","- C132 H80 Dy15 N24 Na2 O73 -","- C264 H160 Dy30 N48 Na4 O146 -","2","0.0833333","","Chen, Zhijie; Thiam, Zeynabou; Shkurenko, Aleksander; Weselinski, Lukasz J.; Adil, Karim; Jiang, Hao; Alezi, Dalal; Assen, Ayalew H.; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire with Minimal Edge-Transitive Related Nets: Access to Highly Coordinated Metal-Organic Frameworks Based on Double Six-Membered Rings as Net-Coded Building Units.","Journal of the American Chemical Society","2019","141","51","20480","20489","10.1021/jacs.9b11260","","","1.54178","CuKα","","0.1499","0.135","","","0.427","0.4365","","","","","","1.901","","","","has coordinates,has disorder","246550","2020-10-21","18:00:00","" "4133796","22.7138","0.0009","22.7138","0.0009","50.592","0.003","90","","90","","120","","22604.4","1.8","100","0.1","100","0.1","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C142 H160 N29 O73 Tb15 -","- C132 H92 N24 O73 Tb15 -","- C264 H184 N48 O146 Tb30 -","2","0.0833333","","Chen, Zhijie; Thiam, Zeynabou; Shkurenko, Aleksander; Weselinski, Lukasz J.; Adil, Karim; Jiang, Hao; Alezi, Dalal; Assen, Ayalew H.; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire with Minimal Edge-Transitive Related Nets: Access to Highly Coordinated Metal-Organic Frameworks Based on Double Six-Membered Rings as Net-Coded Building Units.","Journal of the American Chemical Society","2019","141","51","20480","20489","10.1021/jacs.9b11260","","","1.54178","CuKα","","0.0939","0.0846","","","0.2713","0.2785","","","","","","1.226","","","","has coordinates","246550","2020-10-21","18:00:00","" "4134048","16.871","0.003","16.871","0.003","14.955","0.002","90","","90","","120","","3686.4","1","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 Co2.06 N6 O13 Ti0.94 -","- C42 H24 Co2.07 N6 O13 Ti0.93 -","- C84 H48 Co4.14 N12 O26 Ti1.86 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.0427","0.0338","","","0.1439","0.1493","","","","","","1.17","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00","" "4134049","16.89","0.02","16.89","0.02","14.94","0.02","90","","90","","120","","3691","8","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 Co2 N6 O13 V -","- C42 H24 Co2.0001 N6 O13 V0.9999 -","- C84 H48 Co4.0002 N12 O26 V1.9998 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.0634","0.0443","","","0.1094","0.114","","","","","","1.042","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00","" "4134050","17.234","0.004","17.234","0.004","14.537","0.003","90","","90","","120","","3739.2","1.4","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C45 H27 Mg2.25 N3 O13 Ti0.75 -","- C45 H27 Mg2.244 N3 O13 Ti0.756 -","- C90 H54 Mg4.488 N6 O26 Ti1.512 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.0571","0.0405","","","0.1509","0.1602","","","","","","1.062","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00","" "4134051","17.2","0.03","17.2","0.03","14.75","0.03","90","","90","","120","","3779","12","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C44 H26 Mg2.16 N4 O13 Ti0.84 -","- C44.0001 H26.0001 Mg2.178 N3.9999 O13 Ti0.822 -","- C88.0002 H52.0002 Mg4.356 N7.9998 O26 Ti1.644 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.0542","0.0397","","","0.1173","0.1267","","","","","","1.083","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00","" "4134052","17.014","0.012","17.014","0.012","14.838","0.01","90","","90","","120","","3720","4","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 Mg2.22 N6 O13 Ti0.78 -","- C42 H24 Mg2.196 N6 O13 Ti0.804 -","- C84 H48 Mg4.392 N12 O26 Ti1.608 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.0425","0.0338","","","0.1301","0.1354","","","","","","0.997","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00","" "4134053","16.985","0.015","16.985","0.015","14.669","0.013","90","","90","","120","","3665","6","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 Mg2 N6 O13 V -","- C42 H24 Mg2.001 N6 O13 V0.999 -","- C84 H48 Mg4.002 N12 O26 V1.998 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.05","0.0381","","","0.1284","0.1321","","","","","","1.164","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00","" "4134054","16.79","0.04","16.79","0.04","14.84","0.04","90","","90","","120","","3623","16","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C48 H30 Mg1.92 N6 O13 V1.08 -","- C48 H30 Mg1.893 N6 O13 V1.107 -","- C96 H60 Mg3.786 N12 O26 V2.214 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.0991","0.0675","","","0.1759","0.1904","","","","","","1.187","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00","" "4303157","13.0732","0.001","13.0732","0.001","13.435","0.002","90","","90","","120","","1988.5","0.4","173","2","173","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C9 H25 Cd5 N37 O11 -","- C9 H9 Cd5 N37 O11 -","- C18 H18 Cd10 N74 O22 -","2","0.0833333","","Di-Chang Zhong; Jian-Bin Lin; Wen-Guan Lu; Long Jiang; Tong-Bu Lu","Strong Hydrogen Binding within a 3D Microporous Metal-Organic Framework","Inorganic Chemistry","2009","48","","8656","8658","10.1021/ic900968d","","","0.71073","MoKα","","0.0852","0.0761","","","0.2145","0.2255","","","","","","1.039","","","","has coordinates","179069","2020-10-21","18:00:00","" "4303251","4.4527","0.0002","4.4527","0.0002","7.1969","0.0003","90","","90","","120","","123.573","0.009","293","2","293","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","ytterbium-gallium","","- Ga2 Yb -","- Ga2 Yb -","- Ga4 Yb2 -","2","0.0833333","","Monique Tillard; Claude Belin","Investigation in the Binary System Yb-Ga: Crystal Structure of the Ga-Rich Compound YbGa3.34","Inorganic Chemistry","2009","48","","9250","9257","10.1021/ic901059q","","","0.71073","MoKα","","0.0224","0.0126","","","0.0281","0.0293","","","","","","1.341","","","","has coordinates","211196","2020-10-21","18:00:00","" "4306483","4.2067","0.0003","4.2067","0.0003","17.8891","0.0019","90","","90","","120","","274.16","0.04","90","2","90","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- As2 Eu In2 -","- As2 Eu In2 -","- As4 Eu2 In4 -","2","0.0833333","","Andrea M. Goforth; Peter Klavins; James C. Fettinger; Susan M. Kauzlarich","Magnetic Properties and Negative Colossal Magnetoresistance of the Rare Earth Zintl phase EuIn2As2","Inorganic Chemistry","2008","47","","11048","11056","10.1021/ic801290u","","","0.71073","MoKα","","0.0165","0.0101","","","0.0218","0.0234","","","","","","1.175","","","","has coordinates","179102","2020-10-21","18:00:00","" "4307548","3.2129","0.0004","3.2129","0.0004","9.3901","0.0016","90","","90","","120","","83.95","0.02","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- C Co N2 -","- C Co N2 -","- C2 Co2 N4 -","2","0.0833333","","Manuel Krott; Xiaohui Liu; Boniface P. T. Fokwa; Manfred Speldrich; Heiko Lueken; Richard Dronskowski","Synthesis, Crystal-Structure Determination and Magnetic Properties of Two New Transition-Metal Carbodiimides: CoNCN and NiNCN","Inorganic Chemistry","2007","46","","2204","2207","10.1021/ic062051o","","","0.71073","MoKα","","0.0214","0.0158","","","0.0374","0.0389","","","","","","1.231","","","","has coordinates","179113","2020-10-21","18:00:00","" "4307549","3.1533","0.0008","3.1533","0.0008","9.272","0.003","90","","90","","120","","79.84","0.04","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- C N2 Ni -","- C N2 Ni -","- C2 N4 Ni2 -","2","0.0833333","","Manuel Krott; Xiaohui Liu; Boniface P. T. Fokwa; Manfred Speldrich; Heiko Lueken; Richard Dronskowski","Synthesis, Crystal-Structure Determination and Magnetic Properties of Two New Transition-Metal Carbodiimides: CoNCN and NiNCN","Inorganic Chemistry","2007","46","","2204","2207","10.1021/ic062051o","","","0.71073","MoKα","","0.1397","0.1045","","","0.1543","0.1638","","","","","","1.441","","","","has coordinates","179113","2020-10-21","18:00:00","" "4307744","3.0899","0.0002","3.0899","0.0002","19.135","0.003","90","","90","","120","","158.22","0.03","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- C2 Al Ta3 -","- C2 Al Ta3 -","- C4 Al2 Ta6 -","2","0.0833333","","Johannes Etzkorn; Martin Ade; Harald Hillebrecht","Ta3AlC2 and Ta4AlC3- Single-Crystal Investigations of Two New Ternary Carbides of Tantalum Synthesized by the Molten Metal Technique","Inorganic Chemistry","2007","46","","1410","1418","10.1021/ic062231y","","","0.71073","MoKα","","0.0406","0.0296","","","0.0541","0.0567","","","","","","1.11","","","","has coordinates","190297","2020-10-21","18:00:00","" "4307745","3.1004","0.0004","3.1004","0.0004","19.2","0.004","90","","90","","120","","159.83","0.04","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- C2 Al Ta3 -","- C2 Al Ta3 -","- C4 Al2 Ta6 -","2","0.0833333","","Johannes Etzkorn; Martin Ade; Harald Hillebrecht","Ta3AlC2 and Ta4AlC3- Single-Crystal Investigations of Two New Ternary Carbides of Tantalum Synthesized by the Molten Metal Technique","Inorganic Chemistry","2007","46","","1410","1418","10.1021/ic062231y","","","0.71073","MoKα","","0.0603","0.0338","","","0.0383","0.0407","","","","","","1.025","","","","has coordinates","190297","2020-10-21","18:00:00","" "4307746","3.1123","0.0005","3.1123","0.0005","24.111","0.005","90","","90","","120","","202.26","0.06","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- C3 Al Ta4 -","- C3 Al Ta4 -","- C6 Al2 Ta8 -","2","0.0833333","","Johannes Etzkorn; Martin Ade; Harald Hillebrecht","Ta3AlC2 and Ta4AlC3- Single-Crystal Investigations of Two New Ternary Carbides of Tantalum Synthesized by the Molten Metal Technique","Inorganic Chemistry","2007","46","","1410","1418","10.1021/ic062231y","","","0.71073","MoKα","","0.0491","0.0341","","","0.0535","0.0578","","","","","","1.05","","","","has coordinates","179115","2020-10-21","18:00:00","" "4307821","4.934573","0.000007","4.934573","0.000007","24.5716457","0.0000003","90","","90","","120","","518.16","0.001","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ce2 Ni7 -","- Ce2 Ni7 -","- Ce8 Ni28 -","4","0.166667","","Yaroslav E. Filinchuk; Klaus Yvon; Herman Emerich","Tetrahedral D Atom Coordination of Nickel and Evidence for Anti-isostructural Phase Transition in Orthorhombic Ce2Ni7D~4","Inorganic Chemistry","2007","46","","2914","2920","10.1021/ic062312u","powder diffraction","","","X-ray","","","","","","","","","14.0599","","","","","","","","has coordinates","179116","2020-10-21","18:00:00","" "4307822","4.93841","0.000002","4.93841","0.000002","24.49565","","90","","90","","120","","517.361","0.0003","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ce2 Ni7 -","- Ce2 Ni7 -","- Ce8 Ni28 -","4","0.166667","","Yaroslav E. Filinchuk; Klaus Yvon; Herman Emerich","Tetrahedral D Atom Coordination of Nickel and Evidence for Anti-isostructural Phase Transition in Orthorhombic Ce2Ni7D~4","Inorganic Chemistry","2007","46","","2914","2920","10.1021/ic062312u","powder diffraction","","","X-ray","","","","","","","","","6.1456","","","","","","","","has coordinates","179116","2020-10-21","18:00:00","" "4307823","4.96135","","4.96135","","16.52157","","90","","90","","120","","352.194","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ce Ni3 -","- Ce Ni3 -","- Ce6 Ni18 -","6","0.25","","Yaroslav E. Filinchuk; Klaus Yvon; Herman Emerich","Tetrahedral D Atom Coordination of Nickel and Evidence for Anti-isostructural Phase Transition in Orthorhombic Ce2Ni7D~4","Inorganic Chemistry","2007","46","","2914","2920","10.1021/ic062312u","powder diffraction","","","X-ray","","","","","","","","","9.2787","","","","","","","","has coordinates","179116","2020-10-21","18:00:00","" "4311320","6.2889","0.0016","6.2889","0.0016","20.605","0.008","90","","90","","120","","705.8","0.4","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al2 Ba4 Mg6 -","- Al2 Ba4 Mg6 -","- Al4 Ba8 Mg12 -","2","0.0833333","","Shahrad Amerioun; Tadahiro Yokosawa; Sven Lidin; Ulrich Häussermann","Phase Stability in the Systems AeAl2-xMgx (Ae = Ca, Sr, Ba): Electron Concentration and Size Controlled Variations on the Laves Phase Structural Theme","Inorganic Chemistry","2004","43","","4751","4760","10.1021/ic0400235","","","0.71073","MoKα","","0.0619","0.0467","","","0.1344","0.1492","","","","","","1.184","","","","has coordinates","288183","2023-12-08","14:42:58","" "4311321","6.6699","0.0009","6.6699","0.0009","10.602","0.002","90","","90","","120","","408.47","0.11","293","2","293","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ba Mg2 -","- Ba Mg2 -","- Ba4 Mg8 -","4","0.166667","","Shahrad Amerioun; Tadahiro Yokosawa; Sven Lidin; Ulrich Häussermann","Phase Stability in the Systems AeAl2-xMgx (Ae = Ca, Sr, Ba): Electron Concentration and Size Controlled Variations on the Laves Phase Structural Theme","Inorganic Chemistry","2004","43","","4751","4760","10.1021/ic0400235","","","0.71073","MoKα","","0.0343","0.0267","","","0.0575","0.0603","","","","","","1.083","","","","has coordinates","288183","2023-12-08","14:42:58","" "4311322","6.0977","0.0014","6.0977","0.0014","19.815","0.006","90","","90","","120","","638.1","0.3","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al1.45 Mg0.55 Sr -","- Al4 Sr2 -","- Al32 Sr16 -","8","0.333333","","Shahrad Amerioun; Tadahiro Yokosawa; Sven Lidin; Ulrich Häussermann","Phase Stability in the Systems AeAl2-xMgx (Ae = Ca, Sr, Ba): Electron Concentration and Size Controlled Variations on the Laves Phase Structural Theme","Inorganic Chemistry","2004","43","","4751","4760","10.1021/ic0400235","","","0.71073","MoKα","","0.0326","0.0169","","","0.0284","0.03","","","","","","0.87","","","","has coordinates","288183","2023-12-08","14:42:58","" "4311323","6.194","0.0003","6.194","0.0003","20.1576","0.0015","90","","90","","120","","669.75","0.07","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al0.96 Mg1.04 Sr -","- Al1.25 Mg0.75 Sr -","- Al10 Mg6 Sr8 -","8","0.333333","","Shahrad Amerioun; Tadahiro Yokosawa; Sven Lidin; Ulrich Häussermann","Phase Stability in the Systems AeAl2-xMgx (Ae = Ca, Sr, Ba): Electron Concentration and Size Controlled Variations on the Laves Phase Structural Theme","Inorganic Chemistry","2004","43","","4751","4760","10.1021/ic0400235","","","0.71073","MoKα","","0.0708","0.0353","","","0.059","0.0653","","","","","","1.102","","","","has coordinates","288183","2023-12-08","14:42:58","" "4311324","6.3699","0.0008","6.3699","0.0008","10.14","0.002","90","","90","","120","","356.31","0.09","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al3 Mg Sr2 -","- Al3 Mg Sr2 -","- Al6 Mg2 Sr4 -","2","0.0833333","","Shahrad Amerioun; Tadahiro Yokosawa; Sven Lidin; Ulrich Häussermann","Phase Stability in the Systems AeAl2-xMgx (Ae = Ca, Sr, Ba): Electron Concentration and Size Controlled Variations on the Laves Phase Structural Theme","Inorganic Chemistry","2004","43","","4751","4760","10.1021/ic0400235","","","0.71073","MoKα","","0.0337","0.0307","","","0.1302","0.1328","","","","","","1.446","","","","has coordinates","288183","2023-12-08","14:42:58","" "4311325","6.4838","0.0003","6.4838","0.0003","10.4514","0.0008","90","","90","","120","","380.51","0.04","293","2","293","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mg2 Sr -","- Mg2 Sr -","- Mg8 Sr4 -","4","0.166667","","Shahrad Amerioun; Tadahiro Yokosawa; Sven Lidin; Ulrich Häussermann","Phase Stability in the Systems AeAl2-xMgx (Ae = Ca, Sr, Ba): Electron Concentration and Size Controlled Variations on the Laves Phase Structural Theme","Inorganic Chemistry","2004","43","","4751","4760","10.1021/ic0400235","","","0.71073","MoKα","","0.0197","0.0122","","","0.0273","0.0282","","","","","","1.158","","","","has coordinates","288183","2023-12-08","14:42:58","" "4311611","10.6575","0.0011","10.6575","0.0011","6.8232","0.001","90","","90","","120","","671.17","0.14","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C3 Eu4 I3 Li N6 -","- C3 Eu4 I3 Li N6 -","- C6 Eu8 I6 Li2 N12 -","2","0.0833333","","Wuping Liao; Chunhua Hu; Reinhard K. Kremer; Richard Dronskowski","Formation of Complex Three- and One-Dimensional Interpenetrating Networks within Carbodiimide Chemistry: NCN2‒Coordinated Rare-Earth-Metal Tetrahedra and Condensed Alkali-Metal Iodide Octahedra in Two Novel Lithium Europium Carbodiimide Iodides, LiEu2(NCN)I3 and LiEu4(NCN)3I3","Inorganic Chemistry","2004","43","","5884","5890","10.1021/ic049432r","","","0.71073","MoKα","","0.0252","0.0246","","","0.0551","0.0554","","","","","","1.245","","","","has coordinates","179155","2020-10-21","18:00:00","" "4313192","5.8858","0.0001","5.8858","0.0001","14.3451","0.0005","90","","90","","120","","430.373","0.018","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba3 Na O9 Os2 -","- Ba3 Na O9 Os2 -","- Ba6 Na2 O18 Os4 -","2","0.0833333","","Katharine E. Stitzer; Ahmed El Abed; Mark D. Smith; Matthew J. Davis; Seung-Joo Kim; Jacques Darriet; Hans-Conrad zur Loye","Crystal Growth of Novel Osmium-Containing Triple Perovskites","Inorganic Chemistry","2003","42","","947","949","10.1021/ic026124p","","","0.71073","MoKα","","0.0354","0.0342","","","0.0786","0.0793","","","","","","1.234","","","","has coordinates","179185","2020-10-21","18:00:00","" "4313193","5.8025","0.0001","5.8025","0.0001","14.1468","0.0004","90","","90","","120","","412.495","0.015","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba3 Li O9 Os2 -","- Ba3 Li O9 Os2 -","- Ba6 Li2 O18 Os4 -","2","0.0833333","","Katharine E. Stitzer; Ahmed El Abed; Mark D. Smith; Matthew J. Davis; Seung-Joo Kim; Jacques Darriet; Hans-Conrad zur Loye","Crystal Growth of Novel Osmium-Containing Triple Perovskites","Inorganic Chemistry","2003","42","","947","949","10.1021/ic026124p","","x-ray","0.71069","MoKα","","0.0331","0.0331","","","0.0698","0.0698","","","","2.57","2.57","2.57","","","","has coordinates","176467","2020-10-21","18:00:00","" "4313238","6.2613","0.0005","6.2613","0.0005","10.1573","0.001","90","","90","","120","","344.86","0.05","293","2","293","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ca Mg2 -","- Ca Mg2 -","- Ca4 Mg8 -","4","0.166667","","Shahrad Amerioun; Sergei I. Simak; Ulrich Häussermann","Laves-Phase Structural Changes in the System CaAl2-xMgx","Inorganic Chemistry","2003","42","","1467","1474","10.1021/ic020596m","","","0.71073","MoKα","","0.015","0.0109","","","0.0233","0.0238","","","","","","1.187","","","","has coordinates","288183","2023-12-08","14:42:59","" "4313239","6.0755","0.0004","6.0755","0.0004","9.7708","0.0007","90","","90","","120","","312.34","0.04","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al0.44 Ca Mg1.56 -","- Ca Mg2 -","- Ca4 Mg8 -","4","0.166667","","Shahrad Amerioun; Sergei I. Simak; Ulrich Häussermann","Laves-Phase Structural Changes in the System CaAl2-xMgx","Inorganic Chemistry","2003","42","","1467","1474","10.1021/ic020596m","","","0.71073","MoKα","","0.053","0.0303","","","0.0478","0.1029","","","","","","6.642","","","","has coordinates","288183","2023-12-08","14:42:59","" "4313240","5.935","0.001","5.935","0.001","19.258","0.006","90","","90","","120","","587.5","0.2","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al0.93 Ca Mg1.07 -","- Al1.25 Ca Mg0.75 -","- Al10 Ca8 Mg6 -","8","0.333333","","Shahrad Amerioun; Sergei I. Simak; Ulrich Häussermann","Laves-Phase Structural Changes in the System CaAl2-xMgx","Inorganic Chemistry","2003","42","","1467","1474","10.1021/ic020596m","","","0.71073","MoKα","","0.0497","0.0184","","","0.0175","0.0321","","","","","","1.881","","","","has coordinates","288183","2023-12-08","14:42:59","" "4313241","5.8353","0.0004","5.8353","0.0004","18.897","0.003","90","","90","","120","","557.25","0.1","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al1.34 Ca Mg0.66 -","- Ca Mg2 -","- Ca8 Mg16 -","8","0.333333","","Shahrad Amerioun; Sergei I. Simak; Ulrich Häussermann","Laves-Phase Structural Changes in the System CaAl2-xMgx","Inorganic Chemistry","2003","42","","1467","1474","10.1021/ic020596m","","","0.71073","MoKα","","0.0728","0.0294","","","0.0352","0.0409","","","","","","1.004","","","","has coordinates","288183","2023-12-08","14:42:59","" "4313492","9.369","0.002","9.369","0.002","7.129","0.001","90","","90","","120","","541.93","0.18","295","2","295","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","(1,4-diazobicyclo-[2.2.2]-octane)(tricyanomethanide)silver(I)","","- C10 H12 Ag N5 -","- C10 Ag N5 -","- C20 Ag2 N10 -","2","0.0833333","","Brendan F. Abrahams; Stuart R. Batten; Bernard F. Hoskins; Richard Robson","AgC(CN)3- Based Coordination Polymers","Inorganic Chemistry","2003","42","","2654","2664","10.1021/ic026189s","","","0.71069","MoKα","","0.0547","0.0381","","","0.0786","0.0837","","","","","","1.218","","","","has coordinates","179193","2020-10-21","18:00:00","" "4313502","7.9863","0.0005","7.9863","0.0005","16.566","0.001","90","","90","","120","","915.04","0.1","193","","193","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- F16 Ni2 O9 U3 -","- F16 Ni2 O9 U3 -","- F32 Ni4 O18 U6 -","2","0.0833333","","Amanda C. Bean; Tyler A. Sullens; Wolfgang Runde; Thomas E. Albrecht-Schmitt","Hydrothermal Preparation of Nickel(II)/Uranium(IV) Fluorides with One-, Two-, and Three-Dimensional Topologies","Inorganic Chemistry","2003","42","","2628","2633","10.1021/ic0262076","","","0.71073","MoKα","","0.0246","0.0237","","","0.0641","0.0648","","","","","","1.18","","","","has coordinates","179196","2020-10-21","18:00:00","" "4313884","10.6721","0.0015","10.6721","0.0015","10.617","0.002","90","","90","","120","","1047.2","0.3","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C15 H22 N2 O9 Re2 -","- C15 H22 N2 O9 Re2 -","- C30 H44 N4 O18 Re4 -","2","0.0833333","","Youngjo Kim; John G. Verkade","Organic-Organometallic Crystal Engineering: Novel Formation of a Honeycomb Supramolecular Architecture of [Re2(μ-OMe)3(CO)6]- Anions Encapsulating a Linear H-Bonded Chain of [DABCO-H]+ Cations","Inorganic Chemistry","2003","42","","4262","4264","10.1021/ic034510g","","","0.71073","MoKα","","0.0312","0.0179","","","0.0391","0.044","","","","","","1.043","","","","has coordinates","179204","2020-10-21","18:00:00","" "4315664","18.452","0.003","18.452","0.003","40.925","0.011","90","","90","","120","","12067","4","253","2","253","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","FeCuBPTC-5","FeCuBPTC-5","","- C30 H14 Cu2 Fe O15.33 -","- C30 H14 Cu2 Fe O15.3333 -","- C180 H84 Cu12 Fe6 O92 -","6","0.25","","Choong-Sun Lim; Jennifer K. Schnobrich; Antek G. Wong-Foy; Adam J. Matzger","Metal-Dependent Phase Selection in Coordination Polymers Derived from a C2v-Symmetric Tricarboxylate","Inorganic Chemistry","2010","49","","5271","5275","10.1021/ic100378p","","x-ray","1.5418","CuKα","","0.0509","0.0418","","","0.1094","0.1141","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4315666","18.431","0.014","18.431","0.014","40.52","0.04","90","","90","","120","","11921","17","253","2","253","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","CoCuBPTC-4","CoCuBPTC","","- C30 H14 Co Cu2 O15 -","- C30 H16.6667 Co Cu2 O14.6667 -","- C180 H100 Co6 Cu12 O88 -","6","0.25","","Choong-Sun Lim; Jennifer K. Schnobrich; Antek G. Wong-Foy; Adam J. Matzger","Metal-Dependent Phase Selection in Coordination Polymers Derived from a C2v-Symmetric Tricarboxylate","Inorganic Chemistry","2010","49","","5271","5275","10.1021/ic100378p","","x-ray","1.5418","CuKα","","0.1346","0.0928","","","0.271","0.2971","","","","","","1.018","","","","has coordinates","179236","2020-10-21","18:00:00","" "4316268","7.0154","0.0004","7.0154","0.0004","12.5423","0.0014","90","","90","","120","","534.58","0.07","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba Cu7.31 Sb5 -","- Ba Cu7.311 Sb5 -","- Ba2 Cu14.622 Sb10 -","2","0.0833333","","Wu-Zui Zheng; Peng Wang; Li-Ming Wu; Ling Chen","Synthesis, Crystal and Electronic Structures, and Physical Properties of Caged Ternary Cu-Rich Antimonide: BaCu7.31(3)Sb5","Inorganic Chemistry","2010","49","","7491","7496","10.1021/ic100790r","","","0.71073","MoKα","","0.0301","0.0299","","","0.0606","0.0607","","","","","","1.179","","","","has coordinates","179242","2020-10-21","18:00:00","" "4318706","4.2907","0.0003","4.2907","0.0003","16.3878","0.0017","90","","90","","120","","261.28","0.04","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al5 Gd Pt2 -","- Al5.119 Gd0.69 Pt2 -","- Al10.238 Gd1.38 Pt4 -","2","0.0833333","","S. E. Latturner; M. G. Kanatzidis","Gd1.33Pt3(Al,Si)8 and Gd0.67Pt2(Al,Si)5: Two Structures Containing a Disordered Gd/Al Layer Grown in Liquid Aluminum","Inorganic Chemistry","2002","41","","5479","5486","10.1021/ic025623n","","","0.71073","MoKα","","0.0271","0.0231","","","0.0551","0.0565","","","","","","1.23","","","","has coordinates","179267","2020-10-21","18:00:00","" "4318707","4.2482","0.0006","4.2482","0.0006","16.156","0.003","90","","90","","120","","252.51","0.07","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Al4 Gd0.66 Pt2 Si -","- Al4.963 Gd0.525 Pt2 -","- Al9.926 Gd1.05 Pt4 -","2","0.0833333","","S. E. Latturner; M. G. Kanatzidis","Gd1.33Pt3(Al,Si)8 and Gd0.67Pt2(Al,Si)5: Two Structures Containing a Disordered Gd/Al Layer Grown in Liquid Aluminum","Inorganic Chemistry","2002","41","","5479","5486","10.1021/ic025623n","","","0.71073","MoKα","","0.0309","0.03","","","0.0693","0.07","","","","","","1.302","","","","has coordinates","179267","2020-10-21","18:00:00","" "4321104","23.612","0.003","23.612","0.003","26.859","0.005","90","","90","","120","","12968","3","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- H227 Mo57 N21 O283 V12 -","- Mo57 N6 O275 V12 -","- Mo114 N12 O550 V24 -","2","0.0833333","","Wenbin Yang; Xiang Lin; Canzhong Lu; Honghui Zhuang; Jinshun Huang","(NH4)15[H3Mo57V6(NO)6O189(H2O)12(VO)6].~60H2O: New Nanocompound Obtained by Chemical Embellishment of {M57V6}","Inorganic Chemistry","2000","39","","2706","2707","10.1021/ic991249o","","","0.71073","MoKα","","0.0844","0.0546","","","0.1699","0.1877","","","","","","0.938","","","","has coordinates","179314","2020-10-21","18:00:00","" "4326721","4.3923","0.0002","4.3923","0.0002","21.3004","0.0008","90","","90","","120","","355.88","0.03","296","2","296","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","praseodymium cadmium arsenide (1/3/3)","praseodymium cadmium arsenide (1/3/3)","","- As3 Cd3 Pr -","- As2.99 Cd2.99 Pr -","- As5.98 Cd5.98 Pr2 -","2","0.0833333","","Stanislav S. Stoyko; Arthur Mar","Ternary Rare-Earth Arsenides REZn3As3 (RE = La-Nd, Sm) and RECd3As3 (RE = La-Pr)","Inorganic Chemistry","2011","50","","11152","11161","10.1021/ic201708x","","","0.71073","MoKα","","0.0684","0.0666","","","0.1765","0.177","","","","","","1.398","","","","has coordinates","179370","2020-10-21","18:00:00","" "4326723","4.1709","0.0002","4.1709","0.0002","20.4429","0.001","90","","90","","120","","307.99","0.03","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","praseodymium zinc arsenide (1/3/3)","praseodymium zinc arsenide (1/3/3)","","- As3 Pr Zn3 -","- As2.99 Pr Zn2.99 -","- As5.98 Pr2 Zn5.98 -","2","0.0833333","","Stanislav S. Stoyko; Arthur Mar","Ternary Rare-Earth Arsenides REZn3As3 (RE = La-Nd, Sm) and RECd3As3 (RE = La-Pr)","Inorganic Chemistry","2011","50","","11152","11161","10.1021/ic201708x","","","0.71073","MoKα","","0.0748","0.0748","","","0.1915","0.1915","","","","","","1.393","","","","has coordinates","179370","2020-10-21","18:00:00","" "4326724","4.1655","0.0002","4.1655","0.0002","20.4267","0.0009","90","","90","","120","","306.95","0.02","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","neodymium zinc arsenide (1/3/3)","neodymium zinc arsenide (1/3/3)","","- As3 Nd Zn3 -","- As2.99 Nd Zn2.99 -","- As5.98 Nd2 Zn5.98 -","2","0.0833333","","Stanislav S. Stoyko; Arthur Mar","Ternary Rare-Earth Arsenides REZn3As3 (RE = La-Nd, Sm) and RECd3As3 (RE = La-Pr)","Inorganic Chemistry","2011","50","","11152","11161","10.1021/ic201708x","","","0.71073","MoKα","","0.0739","0.0739","","","0.1932","0.1932","","","","","","1.48","","","","has coordinates","179370","2020-10-21","18:00:00","" "4326725","4.1501","0.0002","4.1501","0.0002","20.357","0.0008","90","","90","","120","","303.64","0.02","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","samarium zinc arsenide (1/3/3)","samarium zinc arsenide (1/3/3)","","- As3 Sm Zn3 -","- As2.99 Sm Zn2.99 -","- As5.98 Sm2 Zn5.98 -","2","0.0833333","","Stanislav S. Stoyko; Arthur Mar","Ternary Rare-Earth Arsenides REZn3As3 (RE = La-Nd, Sm) and RECd3As3 (RE = La-Pr)","Inorganic Chemistry","2011","50","","11152","11161","10.1021/ic201708x","","","0.71073","MoKα","","0.0735","0.0735","","","0.1921","0.1921","","","","","","1.504","","","","has coordinates","179370","2020-10-21","18:00:00","" "4326726","4.419","0.0003","4.419","0.0003","21.4407","0.0013","90","","90","","120","","362.59","0.04","296","2","296","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","lanthanum cadmium arsenide (1/3/3)","lanthanum cadmium arsenide (1/3/3)","","- As3 Cd3 La -","- As2.99 Cd2.99 La -","- As5.98 Cd5.98 La2 -","2","0.0833333","","Stanislav S. Stoyko; Arthur Mar","Ternary Rare-Earth Arsenides REZn3As3 (RE = La-Nd, Sm) and RECd3As3 (RE = La-Pr)","Inorganic Chemistry","2011","50","","11152","11161","10.1021/ic201708x","","","0.71073","MoKα","","0.0797","0.0785","","","0.2251","0.2255","","","","","","1.247","","","","has coordinates","179370","2020-10-21","18:00:00","" "4326727","4.405","0.0001","4.405","0.0001","21.3511","0.0007","90","","90","","120","","358.792","0.016","296","2","296","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","cerium cadmium arsenide (1/3/3)","cerium cadmium arsenide (1/3/3)","","- As3 Cd3 Ce -","- As2.99 Cd2.99 Ce -","- As5.98 Cd5.98 Ce2 -","2","0.0833333","","Stanislav S. Stoyko; Arthur Mar","Ternary Rare-Earth Arsenides REZn3As3 (RE = La-Nd, Sm) and RECd3As3 (RE = La-Pr)","Inorganic Chemistry","2011","50","","11152","11161","10.1021/ic201708x","","","0.71073","MoKα","","0.0732","0.0728","","","0.2122","0.2124","","","","","","1.342","","","","has coordinates","179370","2020-10-21","18:00:00","" "4328980","5.0486","0.0011","5.0486","0.0011","10.095","0.002","90","","90","","120","","222.83","0.08","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","disodium magnesium stannide","","- Mg Na2 Sn -","- Mg Na2 Sn -","- Mg2 Na4 Sn2 -","2","0.0833333","","Takahiro Yamada; Volker L. Deringer; Richard Dronskowski; Hisanori Yamane","Synthesis, Crystal Structure, Chemical Bonding, and Physical Properties of the Ternary Na/Mg Stannide Na2MgSn","Inorganic Chemistry","2012","51","","4810","4816","10.1021/ic300184d","","","0.71075","MoKα","","0.031","0.0296","","","0.0645","0.0655","","","","","","1.161","","","","has coordinates","179392","2020-10-21","18:00:00","" "4329013","3.09884","0.00016","3.09884","0.00016","12.566","0.002","90","","90","","120","","104.502","0.018","293","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","Potassium Lithiostannate","Potassium Lithiostannate","","- K0.72 Li0.24 O2 Sn0.76 -","- K1.5924 Li0.4 O4 Sn1.52 -","- K1.5924 Li0.4 O4 Sn1.52 -","1","0.0416667","","Igor L. Shukaev; Vera V. Butova","New P2 Compound with Brucite-Like Layers: Potassium Lithiostannate","Inorganic Chemistry","2012","51","","4931","4937","10.1021/ic201952x","powder diffraction","","1.5406","X-ray","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "4331931","10.6395","0.0013","10.6395","0.0013","6.8114","0.0011","90","","90","","120","","667.74","0.16","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C3 Eu4 I3 In0.08 N6 -","- C3 Eu4 I3 In0.074 N6 -","- C6 Eu8 I6 In0.148 N12 -","2","0.0833333","","Liao, Wuping; Dronskowski, Richard","Crystal Structures of Extended Europium Cyanamide−Carbodiimide Compounds Derived from Different Reaction Conditions: Temperature-Controlled Syntheses of In0.08Eu4(NCN)3I3, Eu8I9(CN)(NCN)3, and In0.28Eu12(NCN)5I14.91","Inorganic Chemistry","2006","45","10","3828","3830","10.1021/ic051899u","","","0.71073","MoKα","","0.0544","0.0374","","","0.0852","0.0902","","","","","","1.173","","","","has coordinates","179422","2020-10-21","18:00:00","" "4332941","3.9348","0.0006","3.9348","0.0006","15.268","0.003","90","","90","","120","","204.72","0.06","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Dy1.2 Fe4 Si9.9 -","- Dy1.166 Fe4 Si9.938 -","- Dy1.166 Fe4 Si9.938 -","1","0.0416667","","Han, Mi-Kyung; Wu, Ya-Qiao; Kramer, Matthew; Vatovez, Benjamin; Grandjean, Fernande; Long, Gary J.; Miller, Gordon J.","Superstructure in RE2-xFe4Si14-y(RE = Y, Gd−Lu) Characterized by Diffraction, Electron Microscopy, and Mössbauer Spectroscopy","Inorganic Chemistry","2006","45","26","10503","10519","10.1021/ic061117c","","","0.71073","MoKα","","0.0165","0.0156","","","0.0317","0.0322","","","","","","1.182","","","","has coordinates","176467","2020-10-21","18:00:00","" "4332942","3.939","0.0006","3.939","0.0006","15.276","0.003","90","","90","","120","","205.26","0.06","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Er1.2 Fe4 Si9.9 -","- Er1.054 Fe4 Si9.896 -","- Er1.054 Fe4 Si9.896 -","1","0.0416667","","Han, Mi-Kyung; Wu, Ya-Qiao; Kramer, Matthew; Vatovez, Benjamin; Grandjean, Fernande; Long, Gary J.; Miller, Gordon J.","Superstructure in RE2-xFe4Si14-y(RE = Y, Gd−Lu) Characterized by Diffraction, Electron Microscopy, and Mössbauer Spectroscopy","Inorganic Chemistry","2006","45","26","10503","10519","10.1021/ic061117c","","","0.71073","MoKα","","0.0148","0.0147","","","0.0313","0.0313","","","","","","1.192","","","","has coordinates","176467","2020-10-21","18:00:00","" "4332943","3.9516","0.0006","3.9516","0.0006","15.342","0.003","90","","90","","120","","207.47","0.06","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Fe4 Gd1.2 Si9.9 -","- Fe4 Gd1.196 Si9.884 -","- Fe4 Gd1.196 Si9.884 -","1","0.0416667","","Han, Mi-Kyung; Wu, Ya-Qiao; Kramer, Matthew; Vatovez, Benjamin; Grandjean, Fernande; Long, Gary J.; Miller, Gordon J.","Superstructure in RE2-xFe4Si14-y(RE = Y, Gd−Lu) Characterized by Diffraction, Electron Microscopy, and Mössbauer Spectroscopy","Inorganic Chemistry","2006","45","26","10503","10519","10.1021/ic061117c","","","0.71073","MoKα","","0.0187","0.0185","","","0.0415","0.0416","","","","","","1.215","","","","has coordinates","176467","2020-10-21","18:00:00","" "4332944","3.9371","0.0006","3.9371","0.0006","15.292","0.003","90","","90","","120","","205.28","0.06","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Fe4 Ho1.2 Si9.9 -","- Fe4 Ho1.164 Si9.86 -","- Fe4 Ho1.164 Si9.86 -","1","0.0416667","","Han, Mi-Kyung; Wu, Ya-Qiao; Kramer, Matthew; Vatovez, Benjamin; Grandjean, Fernande; Long, Gary J.; Miller, Gordon J.","Superstructure in RE2-xFe4Si14-y(RE = Y, Gd−Lu) Characterized by Diffraction, Electron Microscopy, and Mössbauer Spectroscopy","Inorganic Chemistry","2006","45","26","10503","10519","10.1021/ic061117c","","","0.71073","MoKα","","0.0181","0.0176","","","0.0348","0.0349","","","","","","1.351","","","","has coordinates","176467","2020-10-21","18:00:00","" "4332945","3.9225","0.0006","3.9225","0.0006","15.249","0.003","90","","90","","120","","203.19","0.06","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Fe4 Lu1.2 Si9.9 -","- Fe4 Lu1.21 Si9.776 -","- Fe4 Lu1.21 Si9.776 -","1","0.0416667","","Han, Mi-Kyung; Wu, Ya-Qiao; Kramer, Matthew; Vatovez, Benjamin; Grandjean, Fernande; Long, Gary J.; Miller, Gordon J.","Superstructure in RE2-xFe4Si14-y(RE = Y, Gd−Lu) Characterized by Diffraction, Electron Microscopy, and Mössbauer Spectroscopy","Inorganic Chemistry","2006","45","26","10503","10519","10.1021/ic061117c","","","0.71073","MoKα","","0.0167","0.0167","","","0.0382","0.0382","","","","","","1.193","","","","has coordinates","176467","2020-10-21","18:00:00","" "4332946","3.9352","0.0006","3.9352","0.0006","15.299","0.003","90","","90","","120","","205.18","0.06","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Fe4 Si9.9 Tb1.2 -","- Fe4 Si9.848 Tb1.248 -","- Fe4 Si9.848 Tb1.248 -","1","0.0416667","","Han, Mi-Kyung; Wu, Ya-Qiao; Kramer, Matthew; Vatovez, Benjamin; Grandjean, Fernande; Long, Gary J.; Miller, Gordon J.","Superstructure in RE2-xFe4Si14-y(RE = Y, Gd−Lu) Characterized by Diffraction, Electron Microscopy, and Mössbauer Spectroscopy","Inorganic Chemistry","2006","45","26","10503","10519","10.1021/ic061117c","","","0.71073","MoKα","","0.0185","0.0185","","","0.048","0.048","","","","","","1.297","","","","has coordinates","176467","2020-10-21","18:00:00","" "4332947","3.9256","0.0006","3.9256","0.0006","15.263","0.003","90","","90","","120","","203.7","0.06","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Fe4 Si9.9 Tm1.2 -","- Fe4 Si9.896 Tm1.206 -","- Fe4 Si9.896 Tm1.206 -","1","0.0416667","","Han, Mi-Kyung; Wu, Ya-Qiao; Kramer, Matthew; Vatovez, Benjamin; Grandjean, Fernande; Long, Gary J.; Miller, Gordon J.","Superstructure in RE2-xFe4Si14-y(RE = Y, Gd−Lu) Characterized by Diffraction, Electron Microscopy, and Mössbauer Spectroscopy","Inorganic Chemistry","2006","45","26","10503","10519","10.1021/ic061117c","","","0.71073","MoKα","","0.0169","0.0169","","","0.0394","0.0394","","","","","","1.197","","","","has coordinates","176467","2020-10-21","18:00:00","" "4332948","3.9493","0.0006","3.9493","0.0006","15.327","0.003","90","","90","","120","","207.03","0.06","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Fe4 Si9.9 Yb1.2 -","- Fe4 Si9.914 Yb1.07 -","- Fe4 Si9.914 Yb1.07 -","1","0.0416667","","Han, Mi-Kyung; Wu, Ya-Qiao; Kramer, Matthew; Vatovez, Benjamin; Grandjean, Fernande; Long, Gary J.; Miller, Gordon J.","Superstructure in RE2-xFe4Si14-y(RE = Y, Gd–Lu) Characterized by Diffraction, Electron Microscopy, and Mössbauer Spectroscopy","Inorganic Chemistry","2006","45","26","10503","10519","10.1021/ic061117c","","","0.71073","MoKα","","0.0189","0.0188","","","0.0487","0.0487","","","","","","1.154","","","","has coordinates","288069","2023-12-06","11:45:40","" "4332949","3.9408","0.0006","3.9408","0.0006","15.302","0.003","90","","90","","120","","205.8","0.06","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Fe4 Si9.9 Y1.2 -","- Fe4 Si9.884 Y1.214 -","- Fe4 Si9.884 Y1.214 -","1","0.0416667","","Han, Mi-Kyung; Wu, Ya-Qiao; Kramer, Matthew; Vatovez, Benjamin; Grandjean, Fernande; Long, Gary J.; Miller, Gordon J.","Superstructure in RE2-xFe4Si14-y(RE = Y, Gd−Lu) Characterized by Diffraction, Electron Microscopy, and Mössbauer Spectroscopy","Inorganic Chemistry","2006","45","26","10503","10519","10.1021/ic061117c","","","0.71073","MoKα","","0.0208","0.0208","","","0.0502","0.0502","","","","","","1.199","","","","has coordinates","176467","2020-10-21","18:00:00","" "4333990","5.3","0.0002","5.3","0.0002","13.9302","0.0008","90","","90","","120","","338.88","0.03","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C2 F K O6 Pb2 -","- C2 F K O6 Pb2 -","- C4 F2 K2 O12 Pb4 -","2","0.0833333","","T. Thao Tran; P. Shiv Halasyamani","New Fluoride Carbonates: Centrosymmetric KPb2(CO3)2F and Noncentrosymmetric K2.70Pb5.15(CO3)5F3","Inorganic Chemistry","2013","52","","2466","2473","10.1021/ic302357h","","","0.71073","MoKα","","0.0188","0.0187","","","0.0512","0.0513","","","","","","1.34","","","","has coordinates","179442","2020-10-21","18:00:00","" "4334090","4.1673","0.0006","4.1673","0.0006","6.7543","0.0014","90","","90","","120","","101.58","0.03","125","","125","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ge3 Li2 Zn -","- Ge3 Li2 Zn -","- Ge3 Li2 Zn -","1","0.0416667","","Saskia Stegmaier; Thomas F. Fässler","Lithium-Stuffed Diamond Polytype Zn-Tt Structures (Tt = Sn, Ge): The Two Lithium-Zinc-Tetrelides Li3Zn2Sn4 and Li2ZnGe3","Inorganic Chemistry","2013","52","","2809","2816","10.1021/ic3011037","","x-ray","0.71073","MoKα","","0.0184","0.015","","","0.0326","0.0328","","","","","","1.242","","","","has coordinates","179443","2020-10-21","18:00:00","" "4334091","4.5282","0.0002","4.5282","0.0002","22.119","0.002","90","","90","","120","","392.78","0.04","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Li3 Sn4 Zn2 -","- Li3 Sn4 Zn2 -","- Li6 Sn8 Zn4 -","2","0.0833333","","Saskia Stegmaier; Thomas F. Fässler","Lithium-Stuffed Diamond Polytype Zn-Tt Structures (Tt = Sn, Ge): The Two Lithium-Zinc-Tetrelides Li3Zn2Sn4 and Li2ZnGe3","Inorganic Chemistry","2013","52","","2809","2816","10.1021/ic3011037","","x-ray","0.71073","MoKα","","0.0239","0.0231","","","0.0464","0.0467","","","","","","1.58","","","","has coordinates","179443","2020-10-21","18:00:00","" "4335614","4.49277","0.00009","4.49277","0.00009","8.097","0.0003","90","","90","","120","","141.541","0.007","295","2","295.15","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- As0.98 Li0.95 Sr -","- As0.982 Li0.95 Sr -","- As1.964 Li1.9 Sr2 -","2","0.0833333","","Xian-Juan Feng; Yurii Prots; Marcus Peter Schmidt; Stefan Hoffmann; Igor Veremchuk; Walter Schnelle; Ulrich Burkhardt; Jing-Tai Zhao; Yuri Grin","Synthesis, Structure, and Properties of Two Zintl Phases around the Composition SrLiAs","Inorganic Chemistry","2013","52","","8971","8978","10.1021/ic401166v","","","0.71073","MoKα","","","0.026","","","0.026","","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00","" "4336263","18.8028","0.0008","18.8028","0.0008","51.883","0.003","90","","90","","120","","15885.5","1.3","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C8.5 H3.5 Cu0.75 O3.75 -","- C8.5 H3.5 Cu0.75 O3.75 -","- C204 H84 Cu18 O90 -","24","1","","Zhiqiang Liang; Jingjing Du; Libo Sun; Jin Xu; Ying Mu; Yi Li; Jihong Yu; Ruren Xu","Design and Synthesis of Two Porous Metal-Organic Frameworks with nboandagw Topologies Showing High CO2 Adsorption Capacity","Inorganic Chemistry","2013","52","","10720","10722","10.1021/ic4017189","","","0.71073","MoKα","","0.2102","0.0816","","","0.264","0.2832","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00","" "4338303","5.11","0.002","5.11","0.002","10.171","0.004","90","","90","","120","","230","0.16","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","disodium magnesium stannide","","- Mg Na2 Pb -","- Mg Na2 Pb -","- Mg2 Na4 Pb2 -","2","0.0833333","","Yamada, Takahiro; Ikeda, Takuji; Stoffel, Ralf P.; Deringer, Volker L.; Dronskowski, Richard; Yamane, Hisanori","Synthesis, Crystal Structure, and High-Temperature Phase Transition of the Novel Plumbide Na2MgPb.","Inorganic chemistry","2014","53","10","5253","5259","10.1021/ic500466w","","","0.71075","MoKα","","0.0507","0.0461","","","0.078","0.0795","","","","","","1.088","","","","has coordinates","179486","2020-10-21","18:00:00","" "4339609","4.2646","0.0006","4.2646","0.0006","18.041","0.005","90","","90","","120","","284.15","0.1","292","2","292","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Eu Ga Ge -","- Eu Ga Ge -","- Eu4 Ga4 Ge4 -","4","0.166667","","You, Tae-Soo; Grin, Yuri; Miller, Gordon J.","Planar versus puckered nets in the polar intermetallic series EuGaTt (Tt = Si, Ge, Sn).","Inorganic chemistry","2007","46","21","8801","8811","10.1021/ic701111e","","","0.71073","MoKα","","0.0324","0.0247","","","0.0504","0.0531","","","","","","1.262","","","","has coordinates","179499","2020-10-21","18:00:00","" "4339610","4.5243","0.0005","4.5243","0.0005","18.067","0.003","90","","90","","120","","320.27","0.07","292","2","292","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Eu Ga Sn -","- Eu Ga Sn -","- Eu4 Ga4 Sn4 -","4","0.166667","","You, Tae-Soo; Grin, Yuri; Miller, Gordon J.","Planar versus puckered nets in the polar intermetallic series EuGaTt (Tt = Si, Ge, Sn).","Inorganic chemistry","2007","46","21","8801","8811","10.1021/ic701111e","","","0.71073","MoKα","","0.0363","0.0293","","","0.0565","0.0587","","","","","","1.297","","","","has coordinates","179499","2020-10-21","18:00:00","" "4340112","5.377","0.004","5.377","0.004","13.987","0.01","90","","90","","120","","350.2","0.4","296","2","296","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","Rubidium Uranium(III) sulfate","","","- O8 Rb S2 U -","- O8 Rb S2 U -","- O16 Rb2 S4 U2 -","2","0.0833333","","Cross, Justin N.; Villa, Eric M.; Darling, Victoria R.; Polinski, Matthew J.; Lin, Jian; Tan, Xiaoyan; Kikugawa, Naoki; Shatruk, Michael; Baumbach, Ryan; Albrecht-Schmitt, Thomas E","Straightforward Reductive Routes to Air-Stable Uranium(III) and Neptunium(III) Materials.","Inorganic chemistry","2014","53","14","7455","7466","10.1021/ic500771t","","","0.71073","MoKα","","0.0536","0.0498","","","0.0925","0.0932","","","","","","1.54","","","","has coordinates","179504","2020-10-21","18:00:00","" "4340886","8.3519","0.0002","8.3519","0.0002","9.0845","0.0004","90","","90","","120","","548.79","0.03","299","2","299","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Al7 Mn3 Sc3 Si5 -","- Al7 Mn3 Sc3 Si5 -","- Al14 Mn6 Sc6 Si10 -","2","0.0833333","","He, Hua; Miiller, Wojciech; Aronson, Meigan C.","New Kagome Metal Sc3Mn3Al7Si5 and Its Gallium-Doped Analogues: Synthesis, Crystal Structure, and Physical Properties.","Inorganic chemistry","2014","53","17","9115","9121","10.1021/ic501088t","","","0.71073","MoKα","","0.0148","0.0148","","","0.0458","0.0458","","","","","","1.085","","","","has coordinates","179511","2020-10-21","18:00:00","" "4340895","12.166","0.005","12.166","0.005","12.537","0.005","90","","90","","120","","1607","1.1","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","cerium tellurium vanadate","","","- Ce O20 Te3 V3 -","- Ce O20 Te3 V3 -","- Ce4 O80 Te12 V12 -","4","0.166667","","Lin, Jian; Diefenbach, Kariem; Fu, Jingcheng; Cross, Justin N.; Clark, Ronald J.; Albrecht-Schmitt, Thomas E","LnV3Te3O15(OH)3·nH2O (Ln = Ce, Pr, Nd, Sm, Eu, Gd; n = 1-2): A New Series of Semiconductors with Mixed-Valent Tellurium (IV,VI) Oxoanions.","Inorganic chemistry","2014","53","17","9058","9064","10.1021/ic501068e","","","0.71073","MoKα","","0.0427","0.0389","","","0.0992","0.1017","","","","","","1.149","","","","has coordinates","179511","2020-10-21","18:00:00","" "4340896","12.1147","0.0009","12.1147","0.0009","12.4949","0.0009","90","","90","","120","","1588.1","0.2","296","2","296","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","praseodymium tellurium vanadate","","","- O20 Pr Te3 V3 -","- O20 Pr Te3 V3 -","- O80 Pr4 Te12 V12 -","4","0.166667","","Lin, Jian; Diefenbach, Kariem; Fu, Jingcheng; Cross, Justin N.; Clark, Ronald J.; Albrecht-Schmitt, Thomas E","LnV3Te3O15(OH)3·nH2O (Ln = Ce, Pr, Nd, Sm, Eu, Gd; n = 1-2): A New Series of Semiconductors with Mixed-Valent Tellurium (IV,VI) Oxoanions.","Inorganic chemistry","2014","53","17","9058","9064","10.1021/ic501068e","","","0.71073","MoKα","","0.0433","0.0396","","","0.1044","0.1074","","","","","","1.139","","","","has coordinates","179511","2020-10-21","18:00:00","" "4340897","12.1075","0.0014","12.1075","0.0014","12.4572","0.0015","90","","90","","120","","1581.5","0.3","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","neodymium tellurium vanadate","","","- Nd O19 Te3 V3 -","- Nd O19 Te3 V3 -","- Nd4 O76 Te12 V12 -","4","0.166667","","Lin, Jian; Diefenbach, Kariem; Fu, Jingcheng; Cross, Justin N.; Clark, Ronald J.; Albrecht-Schmitt, Thomas E","LnV3Te3O15(OH)3·nH2O (Ln = Ce, Pr, Nd, Sm, Eu, Gd; n = 1-2): A New Series of Semiconductors with Mixed-Valent Tellurium (IV,VI) Oxoanions.","Inorganic chemistry","2014","53","17","9058","9064","10.1021/ic501068e","","","0.71073","MoKα","","0.0285","0.028","","","0.0895","0.0899","","","","","","1.226","","","","has coordinates","179511","2020-10-21","18:00:00","" "4340898","12.1068","0.0006","12.1068","0.0006","12.4509","0.0006","90","","90","","120","","1580.48","0.13","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","samarium tellurium vanadate","","","- O19 Sm Te3 V3 -","- O19 Sm Te3 V3 -","- O76 Sm4 Te12 V12 -","4","0.166667","","Lin, Jian; Diefenbach, Kariem; Fu, Jingcheng; Cross, Justin N.; Clark, Ronald J.; Albrecht-Schmitt, Thomas E","LnV3Te3O15(OH)3·nH2O (Ln = Ce, Pr, Nd, Sm, Eu, Gd; n = 1-2): A New Series of Semiconductors with Mixed-Valent Tellurium (IV,VI) Oxoanions.","Inorganic chemistry","2014","53","17","9058","9064","10.1021/ic501068e","","","0.71073","MoKα","","0.0264","0.0261","","","0.081","0.0812","","","","","","1.25","","","","has coordinates","179511","2020-10-21","18:00:00","" "4340899","12.0731","0.0009","12.0731","0.0009","12.3674","0.001","90","","90","","120","","1561.2","0.2","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","europium tellurium vanadate","","","- Eu O19 Te3 V3 -","- Eu O19 Te3 V3 -","- Eu4 O76 Te12 V12 -","4","0.166667","","Lin, Jian; Diefenbach, Kariem; Fu, Jingcheng; Cross, Justin N.; Clark, Ronald J.; Albrecht-Schmitt, Thomas E","LnV3Te3O15(OH)3·nH2O (Ln = Ce, Pr, Nd, Sm, Eu, Gd; n = 1-2): A New Series of Semiconductors with Mixed-Valent Tellurium (IV,VI) Oxoanions.","Inorganic chemistry","2014","53","17","9058","9064","10.1021/ic501068e","","","0.71073","MoKα","","0.0386","0.0357","","","0.0998","0.1028","","","","","","1.215","","","","has coordinates","179511","2020-10-21","18:00:00","" "4340900","12.0745","0.0013","12.0745","0.0013","12.3701","0.0014","90","","90","","120","","1561.9","0.3","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","gadolinium tellurium vanadate","","","- Gd O19 Te3 V3 -","- Gd O19 Te3 V3 -","- Gd4 O76 Te12 V12 -","4","0.166667","","Lin, Jian; Diefenbach, Kariem; Fu, Jingcheng; Cross, Justin N.; Clark, Ronald J.; Albrecht-Schmitt, Thomas E","LnV3Te3O15(OH)3·nH2O (Ln = Ce, Pr, Nd, Sm, Eu, Gd; n = 1-2): A New Series of Semiconductors with Mixed-Valent Tellurium (IV,VI) Oxoanions.","Inorganic chemistry","2014","53","17","9058","9064","10.1021/ic501068e","","","0.71073","MoKα","","0.0242","0.0228","","","0.071","0.0717","","","","","","1.177","","","","has coordinates","179512","2020-10-21","18:00:00","" "4340929","16.636","0.009","16.636","0.009","21.933","0.012","90","","90","","120","","5257","5","223","2","223","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C2 H Cl0.25 Cr0.25 N2 O0.08 -","- C2 H Cl0.25 Cr0.25 N2 O0.0833333 -","- C48 H24 Cl6 Cr6 N48 O2 -","24","1","","Kongpatpanich, Kanokwan; Horike, Satoshi; Sugimoto, Masayuki; Fukushima, Tomohiro; Umeyama, Daiki; Tsutsumi, Yosuke; Kitagawa, Susumu","Synthesis and porous properties of chromium azolate porous coordination polymers.","Inorganic chemistry","2014","53","18","9870","9875","10.1021/ic501459m","","","0.71075","MoKα","","0.0946","0.0703","","","0.197","0.2149","","","","","","1.059","","","","has coordinates","179512","2020-10-21","18:00:00","" "4341423","3.6798","0.0001","3.6798","0.0001","10.496","0.001","90","","90","","120","","123.084","0.013","300","2","300","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C0.33 Al O3.66 Y -","- C0.33 Al0.99999 O3.66 Y -","- C0.66 Al1.99998 O7.32 Y2 -","2","0.0833333","","Li, Jun; Smith, Andrew E.; Jiang, Peng; Stalick, Judith K.; Sleight, Arthur W.; Subramanian, M. A.","True Composition and Structure of Hexagonal ""YAlO3"", Actually Y3Al3O8CO3.","Inorganic chemistry","2015","54","3","837","844","10.1021/ic502027k","powder diffraction","","1.5402","neutron","","0.0251","0.0243","","","0.0294","0.0303","","","","","","1.157","","","","has coordinates","176467","2020-10-21","18:00:00","" "4341424","3.7076","0.0001","3.7076","0.0001","10.552","0.001","90","","90","","120","","125.618","0.013","300","2","300","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C0.33 Al O3.66 Y -","- C0.34 Al0.99999 O3.68 Y -","- C0.68 Al1.99998 O7.36 Y2 -","2","0.0833333","","Li, Jun; Smith, Andrew E.; Jiang, Peng; Stalick, Judith K.; Sleight, Arthur W.; Subramanian, M. A.","True Composition and Structure of Hexagonal ""YAlO3"", Actually Y3Al3O8CO3.","Inorganic chemistry","2015","54","3","837","844","10.1021/ic502027k","powder diffraction","","1.5402","neutron","","0.0364","0.0326","","","0.0403","0.0455","","","","","","1.552","","","","has coordinates","176467","2020-10-21","18:00:00","" "4341832","26.272","0.003","26.272","0.003","21.354","0.002","90","","90","","120","","12764","2","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","U18W2P6","","","- O129 P12 U18 W2 -","- O129 P12 U18 W2 -","- O258 P24 U36 W4 -","2","0.0833333","","Ling, Jie; Hobbs, Franklin; Prendergast, Steven; Adelani, Pius O.; Babo, Jean-Marie; Qiu, Jie; Weng, Zhehui; Burns, Peter C.","Hybrid Uranium-Transition-Metal Oxide Cage Clusters.","Inorganic chemistry","2014","","","141201075026001","","10.1021/ic5018449","","","0.71073","MoKα","","0.0686","0.0601","","","0.1609","0.1663","","","","","","1.088","","","","has coordinates","211332","2020-10-21","18:00:00","" "4343633","7.35","","7.35","","6.045","","90","","90","","120","","282.814","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs Sc Cl3","","- Cl3 Cs Sc -","- Cl3 Cs Sc -","- Cl6 Cs2 Sc2 -","2","0.0833333","","Poeppelmeier, K.R.; Corbett, J.D.; McMullen, T.P.; Torgeson, D.R.; Barnes, R.G.","Study of the crystal structures and nonstoichiometry in the system Cs3 Sc2 Cl9 - Cs Sc Cl3","Inorganic Chemistry","1980","19","","129","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4343763","7.095","","7.095","","17.578","","90","","90","","120","","766.311","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Rb Mg Cl3","","- Cl3 Mg Rb -","- Cl3 Mg Rb -","- Cl18 Mg6 Rb6 -","6","0.25","","Devaney, K.O.; Freedman, M.R.; Atwood, J.L.; McPherson, G.L.","Electron paramagnetic resonance studies of manganese(II) and nickel(II) in three structural phases of rubidium magnesium chloride and the crystal structure of 6H-rubidium magnesium chloride","Inorganic Chemistry","1981","20","","140","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4343774","6.846","","6.846","","5.744","","90","","90","","120","","233.141","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ba Ta S3","","- Ba S3 Ta -","- Ba S3 Ta -","- Ba2 S6 Ta2 -","2","0.0833333","","Gardner, R.A.; Vlasse, M.; Wold, A.","Electrical properties and crystal structure of barium tantalum sulfide, Ba Ta S3","Inorganic Chemistry","1969","8","","2784","2787","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4343807","5.7005","","5.7005","","9.3776","","90","","90","","120","","263.905","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","(Ba0.5 Sr0.5) Mn O2.02","","- Ba0.5 Mn O2.02 Sr0.5 -","- Ba0.5 Mn O2.0205 Sr0.5 -","- Ba2 Mn4 O8.082 Sr2 -","4","0.166667","","Adkin, J.J.; Hayward, M.A.","Room temperature antiferromagnetic order in the Mn(II) oxide 4H-Ba(0.5) Sr(0.5) Mn O(2-delta)","Inorganic Chemistry","2008","47","","10959","10964","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4343902","3.9292","","3.9292","","9.712","","90","","90","","120","","129.852","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","La I","","- I La -","- I La -","- I2 La2 -","2","0.0833333","","Ryazanov, M.; Kienle, L.; Mattausch, H.J.; Simon, A.","New synthesis route to and physical properties of lanthanum monoiodide","Inorganic Chemistry","2006","45","","2068","2074","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4343931","10.0486","","10.0486","","7.1375","","90","","90","","120","","624.148","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Na4 Ca Sn6","","- Ca Na4 Sn6 -","- Ca Na4 Sn6 -","- Ca2 Na8 Sn12 -","2","0.0833333","","Todorov, I.; Sevov, S.C.","In search of benzene-like Sn6(6-): synthesis of Na4 Ca Sn6 with interconnected cyclohexane-like Sn6(6-)","Inorganic Chemistry","2006","45","","4478","4483","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4344135","4.2","","4.2","","5.398","","90","","90","","120","","82.464","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","V Co Sb","","- Co Sb V -","- Co Sb V -","- Co2 Sb2 V2 -","2","0.0833333","","Noda, Y.; Shimada, M.; Koizumi, M.","Synthesis of High-Pressure Phases of V Co Sb and V Fe Sb with a Ni2 In (B82) Type Structure","Inorganic Chemistry","1979","18","","3244","3246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4344136","4.233","","4.233","","5.398","","90","","90","","120","","83.765","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","V Fe Sb","","- Fe Sb V -","- Fe Sb V -","- Fe2 Sb2 V2 -","2","0.0833333","","Noda, Y.; Shimada, M.; Koizumi, M.","Synthesis of High-Pressure Phases of V Co Sb and V Fe Sb with a Ni2 In (B82) Type Structure","Inorganic Chemistry","1979","18","","3244","3246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4344180","5.63591","","5.63591","","16.2843","","90","","90","","120","","447.948","","","","","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","(La1.8 Ba0.8 Sr0.4) (Mn2 O9) ((Ca0.8 La0.1 Sr0.1)2 O)","","- Ba0.8 Ca1.6 La2 Mn2 O10 Sr0.6 -","- Ba0.8 Ca1.6 La2 Mn2 O10.002 Sr0.6 -","- Ba1.6 Ca3.2 La4 Mn4 O20.004 Sr1.2 -","2","0.0833333","","Bie Lijian; Wang Yingxia; Lin Jianhua; Loong Chun-K","n=2 member of the hexagonal perovskite-intergrowth manganate family An+1 Mnn O3n+3 (Ca2 O)","Inorganic Chemistry Communications","2002","5","","966","970","","","","","","","","","","","","","","","","","","","","","","has coordinates","160049","2020-10-21","18:00:00","" "4344192","5.63","","5.63","","31.85","","90","","90","","120","","874.293","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","(Na2 O) (Mg O)4 (Al2 O3)15","","- Al30 Mg4 Na2 O50 -","- Al30.0016 Mg3.9984 Na2 O50 -","- Al30.0016 Mg3.9984 Na2 O50 -","1","0.0416667","","Bettman, M.; Terner, L.L.","On the structure of (Na2 O) (Mg O)4 (Al2 O3)15, a Variant of beta-Alumina","Inorganic Chemistry","1971","10","","1442","1446","","","","","","","","","","","","","","","","","","","","","","has coordinates","160808","2020-10-21","18:00:00","" "4344207","3.32","","3.32","","18.16","","90","","90","","120","","173.35","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ta S2 (N H3)","","- H3 N S2 Ta -","- N S2 Ta -","- N4 S8 Ta4 -","4","0.166667","","Chianelli, R.R.; Scanlon, J.C.; Whittingham, M.S.; Gamble, F.R.","Structural Studies of the Intercalation Complexes Ti S2 (N H3) and Ta S2 (N H3)","Inorganic Chemistry","1975","14","","1691","1696","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4344299","8.406","","8.406","","21.28","","90","","90","","120","","1302.21","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs3 Y2 I9","","- Cs3 I9 Y2 -","- Cs3 I9 Y2 -","- Cs6 I18 Y4 -","2","0.0833333","","Guthrie, D.H.; Meyer, G.; Corbett, J.D.","Metal-Metal Repulsion and Bonding in Confacial Bioctahedra. Crystal Structures of Cs3 Y2 I9 and Cs3 Zr2 I9 and Comparison with Related Phases","Inorganic Chemistry","1981","20","","1192","1196","","","","","","","","","","","","","","","","","","","","","","has coordinates","165472","2020-10-21","18:00:00","" "4344300","8.269","","8.269","","19.908","","90","","90","","120","","1178.86","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs3 Zr2 I9","","- Cs3 I9 Zr2 -","- Cs3 I9 Zr2 -","- Cs6 I18 Zr4 -","2","0.0833333","","Guthrie, D.H.; Corbett, J.D.; Meyer, G.","Metal-Metal Repulsion and Bonding in Confacial Bioctahedra. Crystal Structures of Cs3 Y2 I9 and Cs3 Zr2 I9 and Comparison with Related Phases","Inorganic Chemistry","1981","20","","1192","1196","","","","","","","","","","","","","","","","","","","","","","has coordinates","165474","2020-10-21","18:00:00","" "4344345","7.507","","7.507","","18.68","","90","","90","","120","","911.676","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs3 Cr2 Br9","","- Br9 Cr2 Cs3 -","- Br9 Cr2 Cs3 -","- Br18 Cr4 Cs6 -","2","0.0833333","","Saillant, R.; Jackson, R.B.; Streib, W.E.; Folting, K.; Wentworth, R.A.D.","The Crystal Structures of Cs3 Cr2 Br9, Cs3 Mo2 Cl9 and Cs3 Mo2 Br9","Inorganic Chemistry","1971","10","","1453","1457","","","","","","","","","","","","","","","","","","","","","","has coordinates","167175","2020-10-21","18:00:00","" "4344346","7.357","","7.357","","17.545","","90","","90","","120","","822.405","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs3 (Cl3 (Mo Cl3)2)","","- Cl9 Cs3 Mo2 -","- Cl9 Cs3 Mo2 -","- Cl18 Cs6 Mo4 -","2","0.0833333","","Saillant, R.; Streib, W.E.; Jackson, R.B.; Folting, K.; Wentworth, R.A.D.","The crystal structures of Cs3 Cr2 Br9, Cs3 Mo2 Cl9 and Cs3 Mo2 Br9","Inorganic Chemistry","1971","10","","1453","1457","","","","","","","","","","","","","","","","","","","","","","has coordinates","167176","2020-10-21","18:00:00","" "4344347","7.648","","7.648","","18.339","","90","","90","","120","","928.971","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs3 (Br3 (Mo Br3)2)","","- Br9 Cs3 Mo2 -","- Br9 Cs3 Mo2 -","- Br18 Cs6 Mo4 -","2","0.0833333","","Saillant, R.; Jackson, R.B.; Folting, K.; Streib, W.E.; Wentworth, R.A.D.","The crystal structures of Cs3 Cr2 Br9, Cs3 Mo2 Cl9 and Cs3 Mo2 Br9","Inorganic Chemistry","1971","10","","1453","1457","","","","","","","","","","","","","","","","","","","","","","has coordinates","167177","2020-10-21","18:00:00","" "4344520","4.2482","","4.2482","","16.156","","90","","90","","120","","252.508","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Gd0.52 Pt2 Al4 Si","","- Al4 Gd0.52 Pt2 Si -","- Al3.971 Gd0.525 Pt2 Si0.992 -","- Al7.942 Gd1.05 Pt4 Si1.984 -","2","0.0833333","","Latturner, S.E.; Kanatzidis, M.G.","Gd1.33 Pt3 (Al, Si)8 and Gd0.67 Pt2 (Al, Si)5: two structures containing a disordered Gd/Al layer grown in liquid aluminium","Inorganic Chemistry","2002","41","","5479","5486","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4344959","8.568","0.002","8.568","0.002","21.757","0.007","90","","90","","120","","1383.2","0.6","300","2","300","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C6 H18 Bi2 I9 -","- C6 H22.3234 Bi2 I9 -","- C12 H44.6468 Bi4 I18 -","2","0.0833333","","Kamminga, Machteld E.; Stroppa, Alessandro; Picozzi, Silvia; Chislov, Mikhail; Zvereva, Irina A.; Baas, Jacob; Meetsma, Auke; Blake, Graeme R.; Palstra, Thomas T. M.","Polar Nature of (CH3NH3)3Bi2I9 Perovskite-Like Hybrids.","Inorganic chemistry","2017","56","1","33","41","10.1021/acs.inorgchem.6b01699","","","0.71073","MoKα","","0.0554","0.0515","","","0.1184","0.12","","","","","","1.374","","","","has coordinates","191347","2020-10-21","18:00:00","" "4345806","17.1184","0.0008","17.1184","0.0008","42.734","0.002","90","","90","","120","","10845","0.9","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C45 H53.5 Cu7 Mn4 N5 O30 -","- C45.0002 H62.0004 Cu7 Mn4 N5 O30 -","- C180.001 H248.002 Cu28 Mn16 N20 O120 -","4","0.166667","","Lin, Li-Dan; Li, Xin-Xiong; Qi, Yan-Jie; Ma, Xiang; Zheng, Shou-Tian","Cluster Organic Frameworks Constructed from Heterometallic Supertetrahedral Cluster Secondary Building Units.","Inorganic chemistry","2017","56","8","4636","4643","10.1021/acs.inorgchem.7b00267","","","0.71073","MoKα","","0.1168","0.0959","","","0.2778","0.2921","","","","","","1.026","","","","has coordinates","195979","2020-10-21","18:00:00","" "4346637","5.2989","0.0003","5.2989","0.0003","23.2326","0.0018","90","","90","","120","","564.94","0.06","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C3 F2 K2 O9 Pb3 -","- C3 F2 K2 O9 Pb3 -","- C6 F4 K4 O18 Pb6 -","2","0.0833333","","Lin, Yuan; Hu, Chun-Li; Mao, Jiang-Gao","K2Pb3(CO3)3F2 and KCdCO3F: Novel Fluoride Carbonates with Layered and 3D Framework Structures.","Inorganic chemistry","2015","54","21","10407","10414","10.1021/acs.inorgchem.5b01848","","","0.71073","MoKα","","0.0219","0.0216","","","0.0598","0.0603","","","","","","1.085","","","","has coordinates","231892","2020-10-21","18:00:00","" "4347430","18.557","0.007","18.557","0.007","24.189","0.01","90","","90","","120","","7214","5","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C22 H10 F N O10 Zn2 -","- C22 H10 F N O10 Zn2 -","- C132 H60 F6 N6 O60 Zn12 -","6","0.25","","Pal, Tapan K.; De, Dinesh; Senthilkumar, S.; Neogi, Subhadip; Bharadwaj, Parimal K.","A Partially Fluorinated, Water-Stable Cu(II)-MOF Derived via Transmetalation: Significant Gas Adsorption with High CO2 Selectivity and Catalysis of Biginelli Reactions.","Inorganic chemistry","2016","55","16","7835","7842","10.1021/acs.inorgchem.6b00154","","","0.71073","MoKα","","0.0872","0.0595","","","0.1953","0.2095","","","","","","1.074","","","","has coordinates","232312","2020-10-21","18:00:00","" "4347431","18.4347","0.0006","18.4347","0.0006","23.832","0.001","90","","90","","120","","7014","0.4","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C22 H10 Cu2 F N O10 -","- C22 H10 Cu2 F N O10 -","- C132 H60 Cu12 F6 N6 O60 -","6","0.25","","Pal, Tapan K.; De, Dinesh; Senthilkumar, S.; Neogi, Subhadip; Bharadwaj, Parimal K.","A Partially Fluorinated, Water-Stable Cu(II)-MOF Derived via Transmetalation: Significant Gas Adsorption with High CO2 Selectivity and Catalysis of Biginelli Reactions.","Inorganic chemistry","2016","55","16","7835","7842","10.1021/acs.inorgchem.6b00154","","","0.71073","MoKα","","0.109","0.0677","","","0.2259","0.2393","","","","","","1.04","","","","has coordinates","232312","2020-10-21","18:00:00","" "4347871","21.404","0.005","21.404","0.005","35.979","0.008","90","","90","","120","","14275","6","293","2","293","2","","","","","","","","8","P 63/m m c","-P 6c 2c","194","","","","- C84 H228 F78 N38 O42 P13 Pt12 Ru9 -","- C84 H228 F78.02 N38 O42 P13 Pt12 Ru9 -","- C168 H456 F156.04 N76 O84 P26 Pt24 Ru18 -","2","0.0833333","","Uemura, Kazuhiro; Uesugi, Naoyuki; Matsuyama, Akina; Ebihara, Masahiro; Yoshikawa, Hirofumi; Awaga, Kunio","Integration of Paramagnetic Diruthenium Complexes into an Extended Chain by Heterometallic Metal-Metal Bonds with Diplatinum Complexes.","Inorganic chemistry","2016","55","14","7003","7011","10.1021/acs.inorgchem.6b00741","","","0.7107","MoKα","","0.3256","0.2496","","","0.427","0.4557","","","","","","1.993","","","","has coordinates","232553","2020-10-21","18:00:00","" "4349510","9.3526","0.0009","9.3526","0.0009","22.285","0.003","90","","90","","120","","1688.1","0.3","445","2","445","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C9 H15 I9 N6 Sb2 -","- C8.97 H14.85 I9 N6 Sb2 -","- C17.94 H29.7 I18 N12 Sb4 -","2","0.0833333","","Węcławik, M.; Gągor, A.; Jakubas, R.; Piecha-Bisiorek, A.; Medycki, W.; Baran, J.; Zieliński, P.; Gałązka, M.","Structure‒property relationships in hybrid (C3H5N2)3[Sb2I9] and (C3H5N2)3[Bi2I9] isomorphs","Inorganic Chemistry Frontiers","2016","3","10","1306","","10.1039/C6QI00260A","","","0.71073","MoKα","","0.153","0.0651","","","0.1752","0.2337","","","","","","0.952","","","","has coordinates","234841","2020-10-21","18:00:00","" "4349513","9.2914","0.0009","9.2914","0.0009","22.503","0.003","90","","90","","120","","1682.4","0.3","350","2","350","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C9 H15 Bi2 I9 N6 -","- C8.97 H14.85 Bi2 I9 N6 -","- C17.94 H29.7 Bi4 I18 N12 -","2","0.0833333","","Węcławik, M.; Gągor, A.; Jakubas, R.; Piecha-Bisiorek, A.; Medycki, W.; Baran, J.; Zieliński, P.; Gałązka, M.","Structure‒property relationships in hybrid (C3H5N2)3[Sb2I9] and (C3H5N2)3[Bi2I9] isomorphs","Inorganic Chemistry Frontiers","2016","3","10","1306","","10.1039/C6QI00260A","","","0.71073","MoKα","","0.1491","0.0411","","","0.0837","0.1006","","","","","","0.88","","","","has coordinates","234841","2020-10-21","18:00:00","" "4502407","12.3634","0.0019","12.3634","0.0019","12.539","0.004","90","","90","","120","","1659.9","0.6","173","2","173","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C9 H25 Cu5 N37 O11 -","- C9 H9 Cu5 N37 O11 -","- C18 H18 Cu10 N74 O22 -","2","0.0833333","","Zhong, Di-Chang; Lu, Wen-Guan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Three Coordination Polymers Based on 1H-Tetrazole (HTz) Generated via in Situ Decarboxylation: Synthesis, Structures, and Selective Gas Adsorption Properties","Crystal Growth & Design","2010","10","2","739","","10.1021/cg901128k","","","0.71073","MoKα","","0.1489","0.08","","","0.214","0.272","","","","","","1.012","","","","has coordinates,has disorder","179555","2020-10-21","18:00:00","" "4505652","2.7603","0.0001","2.7603","0.0001","4.3275","0.0006","90","","90","","120","","28.555","0.004","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Cu0.68 Ge0.02 Sn0.3 -","- Cu0.44 Ge0 Sn0.569 -","- Cu0.88 Ge0 Sn1.138 -","2","0.0833333","","Purdy, Andrew P.; Case, Sean; George, Clifford","Ammonothermal Crystal Growth of Germanium and Its Alloys: Synthesis of a Hollow Metallic Crystal","Crystal Growth & Design","2003","3","2","121","","10.1021/cg025590m","","","0.71073","MoKα","","0.0321","0.0305","","","0.0762","0.0797","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00","" "4505653","2.9491","0.0006","2.9491","0.0006","4.7734","0.0014","90","","90","","120","","35.953","0.015","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ag0.72 Ge0.02 Sn0.26 -","- Ag0.7 Sn0.3 -","- Ag1.4 Sn0.6 -","2","0.0833333","","Purdy, Andrew P.; Case, Sean; George, Clifford","Ammonothermal Crystal Growth of Germanium and Its Alloys: Synthesis of a Hollow Metallic Crystal","Crystal Growth & Design","2003","3","2","121","","10.1021/cg025590m","","","0.71073","MoKα","","0.0204","0.0204","","","0.0487","0.0487","","","","","","1.294","","","","has coordinates","176467","2020-10-21","18:00:00","" "4509604","13.014","0.004","13.014","0.004","13.457","0.006","90","","90","","120","","1973.8","1.2","298","2","298","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C9 H22 Cd5 Cl N45 O2 -","- C15 H18 Cd5 Cl0.94 N39 O -","- C30 H36 Cd10 Cl1.88 N78 O2 -","2","0.0833333","","Liu, Dongsheng; Huang, Gansheng; Huang, Changcang; Huang, Xihe; Chen, Jianzhong; You, XiaoZeng","Cadmium Coordination Polymers Constructed from in Situ Generated Amino-Tetrazole Ligand: Effect of the Conditions on the Structures and Topologies","Crystal Growth & Design","2009","9","12","5117","","10.1021/cg900505v","","","0.71073","MoKα","","0.0944","0.0914","","","0.2072","0.2082","","","","","","1.19","","","","has coordinates","176432","2020-10-21","18:00:00","" "4509608","13.0628","0.0018","13.0628","0.0018","13.522","0.003","90","","90","","120","","1998.2","0.6","298","2","298","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C9 H22 Cd5 N45 O4 S0.5 -","- C15 H18 Cd5 N39 O2.64 S0.49 -","- C30 H36 Cd10 N78 O5.28 S0.98 -","2","0.0833333","","Liu, Dongsheng; Huang, Gansheng; Huang, Changcang; Huang, Xihe; Chen, Jianzhong; You, XiaoZeng","Cadmium Coordination Polymers Constructed from in Situ Generated Amino-Tetrazole Ligand: Effect of the Conditions on the Structures and Topologies","Crystal Growth & Design","2009","9","12","5117","","10.1021/cg900505v","","","0.71073","MoKα","","0.0725","0.0725","","","0.2684","0.2684","","","","","","1.108","","","","has coordinates","176432","2020-10-21","18:00:00","" "4511262","19.9724","0.0009","19.9724","0.0009","26.0567","0.0009","90","","90","","120","","9001.4","0.7","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","Fe-Pd-BTC","","","- C22 H4 Fe4 O17 Pd -","- C22 H4 Fe4 O17 Pd -","- C132 H24 Fe24 O102 Pd6 -","6","0.25","","Aiyappa, Harshitha Barike; Saha, Subhadeep; Garai, Bikash; Thote, Jayshri; Kurungot, Sreekumar; Banerjee, Rahul","A Distinctive PdCl2-Mediated Transformation of Fe-Based Metallogels into Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","7","3434","","10.1021/cg500368q","","","0.71073","","","0.1912","0.1344","","","","0.3819","","","","","","1.071","","","","has coordinates","179659","2020-10-21","18:00:00","" "4511459","11.6208","0.0007","11.6208","0.0007","5.964","0.0008","90","","90","","120","","697.49","0.11","293","2","293","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C6 H6 Cl3 Cu4 N9 O -","- C6 H6 Cl3 Cu4 N9 O -","- C12 H12 Cl6 Cu8 N18 O2 -","2","0.0833333","","Zhai, Quan-Guo; Lu, Can-Zhong; Chen, Shu-Mei; Xu, Xin-Jiang; Yang, Wen-Bin","Design of Novel Three-Dimensional Coordination Polymers Based on Triangular Trinuclear Copper 1,2,4-Triazolate Units","Crystal Growth & Design","2006","6","6","1393","","10.1021/cg0600142","","","0.71073","MoKα","","0.0451","0.0432","","","0.0823","0.0831","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00","" "4512056","5.8981","0.0001","5.8981","0.0001","23.2029","0.0007","90","","90","","120","","699.03","0.03","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba2 Fe22.46 O38 Ti1.54 -","- Ba2 Fe22.74 O38 Ti1.26 -","- Ba2 Fe22.74 O38 Ti1.26 -","1","0.0416667","","Vinnik, Denis A.; Zherebtsov, Dmitry A.; Mashkovtseva, Lubov S.; Nemrava, Sandra; Perov, Nikolai S.; Semisalova, Anna S.; Krivtsov, Igor V.; Isaenko, Ludmila I.; Mikhailov, Gennady G.; Niewa, Rainer","Ti-Substituted BaFe12O19Single Crystal Growth and Characterization","Crystal Growth & Design","2014","14","11","5834","","10.1021/cg501075c","","","0.71073","MoKα","","0.0273","0.025","","","0.059","0.0602","","","","","","3.324","","","","has coordinates","179667","2020-10-21","18:00:00","" "4514174","16.7486","0.0003","16.7486","0.0003","19.0019","0.0006","90","","90","","120","","4616.2","0.19","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H25 N18 O7 Zn3 -","- C42 H24 N18 O7 Zn3 -","- C84 H48 N36 O14 Zn6 -","2","0.0833333","","Chen, Di-Ming; Zhang, Nan-Nan; Liu, Chun-Sen; Du, Miao","Dual-Emitting Dye@MOF Composite as a Self-Calibrating Sensor for 2,4,6-Trinitrophenol.","ACS applied materials & interfaces","2017","9","29","24671","24677","10.1021/acsami.7b07901","","x-ray","1.54184","CuKα","","0.0676","0.066","","","0.1935","0.1947","","","","","","1.107","","","","has coordinates,has disorder","200216","2020-10-21","18:00:00","" "4514513","29.191","0.0011","29.191","0.0011","12.9618","0.0007","90","","90","","120","","9565.2","0.7","298","2","298","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C153 H171 Cd3 N45 O54 -","- C144 H96 Cd3 N36 O30 -","- C288 H192 Cd6 N72 O60 -","2","0.0833333","","Han, Xue; Xu, Ya-Xin; Yang, Jin; Xu, Xianxiu; Li, Cheng-Peng; Ma, Jian-Fang","Metal-Assembled, Resorcin[4]arene-Based Molecular Trimer for Efficient Removal of Toxic Dichromate Pollutants and Knoevenagel Condensation Reaction.","ACS applied materials & interfaces","2019","11","17","15591","15597","10.1021/acsami.9b02068","","","0.71073","MoKα","","0.1431","0.0804","","","0.2409","0.2804","","","","","","1.031","","","","has coordinates","219698","2020-10-21","18:00:00","" "4515309","16.3125","0.0004","16.3125","0.0004","7.5267","0.0003","90","","90","","120","","1734.51","0.09","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C21 H12 Co N13 -","- C21 H12 Co N13 -","- C42 H24 Co2 N26 -","2","0.0833333","","Zhang, Jindan; Ouyang, Jun; Ye, Yingxiang; Li, Ziyin; Lin, Quanjie; Chen, Ting; Zhang, Zhangjing; Xiang, Shengchang","Mixed-Valence Cobalt(II/III) Metal-Organic Framework for Ammonia Sensing with Naked-Eye Color Switching.","ACS applied materials & interfaces","2018","10","32","27465","27471","10.1021/acsami.8b07770","","","1.54184","CuKα","","0.0556","0.0522","","","0.1667","0.1703","","","","","","1.026","","","","has coordinates","225476","2020-10-21","18:00:00","" "4515310","16.2883","0.001","16.2883","0.001","7.4885","0.0007","90","","90","","120","","1720.6","0.2","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C21 H12 Co N13 -","- C21 H12 Co N13 -","- C42 H24 Co2 N26 -","2","0.0833333","","Zhang, Jindan; Ouyang, Jun; Ye, Yingxiang; Li, Ziyin; Lin, Quanjie; Chen, Ting; Zhang, Zhangjing; Xiang, Shengchang","Mixed-Valence Cobalt(II/III) Metal-Organic Framework for Ammonia Sensing with Naked-Eye Color Switching.","ACS applied materials & interfaces","2018","10","32","27465","27471","10.1021/acsami.8b07770","","","1.54184","CuKα","","0.073","0.0616","","","0.1691","0.1805","","","","","","1.091","","","","has coordinates,has disorder","225476","2020-10-21","18:00:00","" "4515311","16.3316","0.0007","16.3316","0.0007","7.5701","0.0003","90","","90","","120","","1748.6","0.13","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C21 H21 Co N16 -","- C21 H21 Co N16 -","- C42 H42 Co2 N32 -","2","0.0833333","","Zhang, Jindan; Ouyang, Jun; Ye, Yingxiang; Li, Ziyin; Lin, Quanjie; Chen, Ting; Zhang, Zhangjing; Xiang, Shengchang","Mixed-Valence Cobalt(II/III) Metal-Organic Framework for Ammonia Sensing with Naked-Eye Color Switching.","ACS applied materials & interfaces","2018","10","32","27465","27471","10.1021/acsami.8b07770","","","1.54184","CuKα","","0.0847","0.0679","","","0.2077","0.2202","","","","","","0.987","","","","has coordinates","225476","2020-10-21","18:00:00","" "4515312","16.302","0.004","16.302","0.004","7.5069","0.0014","90","","90","","120","","1727.7","0.7","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C21 H18 Co N13 O3 -","- C21 H18 Co N13 O3 -","- C42 H36 Co2 N26 O6 -","2","0.0833333","","Zhang, Jindan; Ouyang, Jun; Ye, Yingxiang; Li, Ziyin; Lin, Quanjie; Chen, Ting; Zhang, Zhangjing; Xiang, Shengchang","Mixed-Valence Cobalt(II/III) Metal-Organic Framework for Ammonia Sensing with Naked-Eye Color Switching.","ACS applied materials & interfaces","2018","10","32","27465","27471","10.1021/acsami.8b07770","","","1.54184","CuKα","","0.1078","0.0816","","","0.2346","0.263","","","","","","0.986","","","","has coordinates","225476","2020-10-21","18:00:00","" "4515313","15.9688","0.0008","15.9688","0.0008","6.9541","0.0007","90","","90","","120","","1535.73","0.19","296","2","296","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C21 H12 Co N13 -","- C21 H12 Co N13 -","- C42 H24 Co2 N26 -","2","0.0833333","","Zhang, Jindan; Ouyang, Jun; Ye, Yingxiang; Li, Ziyin; Lin, Quanjie; Chen, Ting; Zhang, Zhangjing; Xiang, Shengchang","Mixed-Valence Cobalt(II/III) Metal-Organic Framework for Ammonia Sensing with Naked-Eye Color Switching.","ACS applied materials & interfaces","2018","10","32","27465","27471","10.1021/acsami.8b07770","","","1.54184","CuKα","","0.0713","0.0651","","","0.1886","0.195","","","","","","1.114","","","","has coordinates","225476","2020-10-21","18:00:00","" "4515397","16.929","0.004","16.929","0.004","15.306","0.004","90","","90","","120","","3798.9","1.6","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 Co3 N6 O13 -","- C42 H24 Co3 N6 O13 -","- C84 H48 Co6 N12 O26 -","2","0.0833333","","Zhang, Tao; Hu, Yue-Qiao; Han, Tian; Zhai, Yuan-Qi; Zheng, Yan-Zhen","Redox-Active Cobalt(II/III) Metal-Organic Framework for Selective Oxidation of Cyclohexene.","ACS applied materials & interfaces","2018","10","18","15786","15792","10.1021/acsami.7b19323","","","0.71073","MoKα","","0.0386","0.0299","","","0.0799","0.0855","","","","","","1.1","","","","has coordinates","225550","2020-10-21","18:00:00","" "4515407","15.4117","0.0005","15.4117","0.0005","20.0413","0.0006","90","","90","","120","","4122.5","0.2","292.53","0.1","292.53","0.1","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C9 H7 Co N4 O3.33 -","- C9 H7 Co N4 O3.33333 -","- C54 H42 Co6 N24 O20 -","6","0.25","","Ye, Yingxiang; Chen, Shimin; Chen, Liangji; Huang, Jitao; Ma, Zhenlin; Li, Ziyin; Yao, Zizhu; Zhang, Jindan; Zhang, Zhangjing; Xiang, Shengchang","Additive-Induced Supramolecular Isomerism and Enhancement of Robustness in Co(II)-Based MOFs for Efficiently Trapping Acetylene from Acetylene-Containing Mixtures.","ACS applied materials & interfaces","2018","10","36","30912","30918","10.1021/acsami.8b11999","","x-ray","1.54184","CuKα","","0.0995","0.0898","","","0.2438","0.258","","","","","","1.114","","","","has coordinates,has disorder","225561","2020-10-21","18:00:00","" "4518197","19.3699","0.0003","19.3699","0.0003","17.2897","0.0002","90","","90","","120","","5617.89","0.14","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C18 H10 N5 O9 Zn2 -","- C18 H9 N5 O9 Zn2 -","- C108 H54 N30 O54 Zn12 -","6","0.25","","Yin, Jia-Cheng; Chang, Ze; Li, Na; He, Jie; Fu, Zi-Xuan; Bu, Xian-He","Efficient Regulation of Energy Transfer in a Multicomponent Dye-Loaded MOF for White-Light Emission Tuning","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c12867","","x-ray","1.54184","CuKα","","0.0834","0.0742","","","0.2142","0.2274","","","","","","1.094","","","","has coordinates,has disorder","258686","2020-11-03","22:14:04","" "4518868","20.918","0.01","20.918","0.01","16.08","0.009","90","","90","","120","","6093","5","293","2","293","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C60 H15 Co2.04 N6 O16 V0.96 -","- C60 H15 Co2.04 N6 O16 V0.96 -","- C120 H30 Co4.08 N12 O32 V1.92 -","2","0.0833333","","Hong, Anh N.; Yang, Huajun; Li, Tong; Wang, Yong; Wang, Yanxiang; Jia, Xiaoxia; Zhou, Angel; Kusumoputro, Emily; Li, Jinping; Bu, Xianhui; Feng, Pingyun","Pore-Space Partition and Optimization for Propane-Selective High-Performance Propane/Propylene Separation","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.1c10391","","","0.71073","MoKα","","0.1159","0.0839","","","0.2516","0.2917","","","","","","1.174","","","","has coordinates","267401","2021-07-08","21:16:42","" "4518869","16.799","0.005","16.799","0.005","20.706","0.007","90","","90","","120","","5061","3","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C54 H30 Co1.98 N6 O13 V1.02 -","- C54 H30 Co1.98 N6 O13 V1.02 -","- C108 H60 Co3.96 N12 O26 V2.04 -","2","0.0833333","","Hong, Anh N.; Yang, Huajun; Li, Tong; Wang, Yong; Wang, Yanxiang; Jia, Xiaoxia; Zhou, Angel; Kusumoputro, Emily; Li, Jinping; Bu, Xianhui; Feng, Pingyun","Pore-Space Partition and Optimization for Propane-Selective High-Performance Propane/Propylene Separation","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.1c10391","","","0.71073","MoKα","","0.1133","0.0905","","","0.2327","0.2513","","","","","","1.096","","","","has coordinates","267401","2021-07-08","21:16:43","" "5910003","3.18","","3.18","","12.5","","90","","90","","120","","109.47","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Tungsten disulphide","","- S2 W -","- S4 W2 -","- S4 W2 -","","","","Wyckoff, R. W. G.","Pages 233 & 239 from the second edition of Structure of Crystals by Wyckoff R W G. Published by The Chemical Catalog Company, INC, New York in 1931.","The second edition of Structure of Crystals","1931","","","233","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00","" "5910009","2.994","","2.994","","4.722","","90","","90","","120","","36.657","","","","","","","","","","","","","2","P 63/m m c","","194","","Dimolybdenum carbide","","- C Mo2 -","- C Mo2 -","- C2 Mo4 -","2","0.0833333","","Wyckoff, R. W. G.","Pages 25 & 27 from the second edition supplement of The Structure of Crystals by Wyckoff R W G. published by Reinhold Publishing Corporation, INC,Camden,N. J. in 1935 & http://cimesg1.epfl.ch/CIOLS/crystal1.pl","The second edition supplement of The Structure of Crystals","1935","","","25","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00","" "5910078","5.15","","5.15","","8.48","","90","","90","","120","","194.778","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","mgZn2","","- Mg Zn2 -","- Mg Zn2 -","- Mg4 Zn8 -","4","0.166667","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00","" "5910079","2.51","","2.51","","6.69","","90","","90","","120","","36.501","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Boron Nitride","","- B N -","- B8 N4 -","- B8 N4 -","","","","Wyckoff, R. W. G.","Pages 224 from the second edition of Structure of Crystals by Wyckoff R W G.published by The Chemical Catalog Company, INC, New York in 1931 and http://cst-www.nrl.navy.mil/lattice.","The second edition of Structure of Crystals","1931","","","224","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00","" "5910147","5.03","","5.03","","8.22","","90","","90","","120","","180.11","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Beta Tridymite","","- O2 Si -","- O8 Si4 -","- O8 Si4 -","","","","Wyckoff, R. W. G.","Pages 239 & 248 from the second edition of Structure of Crystals by Wyckoff R W G. Published by The Chemical Catalog Company, INC, New York in 1931.","The second edition of Structure of Crystals","1931","","","239","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00","" "5910148","6.06","","6.06","","23.69","","90","","90","","120","","753.427","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Magneto-plumbite","","- Fe12 O19 Pb -","- Fe26 O38 Pb12 -","- Fe26 O38 Pb12 -","","","","Wyckoff, R. W. G.","Page 320 from the second edition of Structure of Crystals by Wyckoff. published by The Chemical Catalog Company, INC, New York in 1931 & http://database.iem.ac.ru/mincryst/","The second edition of Structure of Crystals","1931","","","320","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00","" "5910175","7.24","","7.24","","17.94","","90","","90","","120","","814.386","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Tricesium vanadium nonachloride","","- Cl9 Cs3 V2 -","- Cl144 Cs20 V16 -","- Cl144 Cs20 V16 -","","","","Wyckoff, R. W. G.","Page 475 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","475","475","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00","" "5910180","7.32","","7.32","","17.97","","90","","90","","120","","833.875","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Triesium titanium nonachloride","","- Cl9 Cs3 Ti2 -","- Cl144 Cs20 Ti16 -","- Cl144 Cs20 Ti16 -","","","","Wyckoff, R. W. G.","Page 475 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","475","475","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00","" "5910350","7.22","","7.22","","17.93","","90","","90","","120","","809.441","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Triesium chromium nonachloride","","- Cl9 Cr2 Cs3 -","- Cl132 Cr16 Cs20 -","- Cl132 Cr16 Cs20 -","","","","Wyckoff, R. W. G.","Page 475 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","475","475","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00","" "6000051","5.7506","0.0003","5.7506","0.0003","61.413","0.002","90","","90","","120","","1758.8","0.2","","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba11 Fe8 O41 Ti9 -","- Ba11 Fe6 O41 Ti11 -","- Ba22 Fe12 O82 Ti22 -","2","0.0833333","","Siegrist, Theo; Svensson, Christer; Vanderah, Terreil A.; Roth, Robert S.","Structural study of Ba11Fe8Ti9O41 by X-ray diffraction","Solid State Sciences","2000","2","","539","544","10.1016/S1293-2558(00)01073-6","","x-ray","0.71073","MoKα","","","0.0449","","","0.0584","","","","","","","","","","","has coordinates","190905","2020-10-21","18:00:00","" "6000070","5.7676","","5.7676","","49.58","","90","","90","","120","","1428.33","","","","","","","","","","","","","4","P 63/m m c","","","","","","- Ba Co0.29 Mn0.72 O3 -","","","","","","Cherepanov, V. A.; Filonova, E. A.; Voronin, V. I.; Berger, I. F.","Phase equilibria in the LaCoO3-LaMnO3-BaCoOz-BaMnO3 system","Journal of Solid State Chemistry","2000","153","","205","211","10.1006/jssc.2000.8743","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "6000110","4.3955","","4.3955","","6.015","","90","","90","","120","","100.65","","","","","","","","","","","","","3","P 63/m m c","","","","","","- Cu Sn Ti -","","","","","","Weitzer, F.; Perring, L.; Shibayanagi, T.; Naka, M.; Schuster, J. C.","Determination of the crystal structure of CuSnTi by full profile Rietveld analysis","Powder Diffraction","2000","15","","91","93","10.1017/S0885715600010897","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "6000185","5.732","","5.732","","9.383","","90","","90","","120","","266.98","","","","","","","","","","","","","3","P 63/m m c","","","","","","- Cu1.2 Pd1.8 Y -","","","","","","Kotur, B. Y.; Michor, H.; Bauer, E.; Hilscher, G.","The Y-Cu-Pd ternary system at 600 degrees c (0-25 at.% Y): a reinvestigation","Journal of Alloys and Compounds","2000","296","","285","289","10.1016/S0925-8388(99)00541-1","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "6000614","2.8809","","2.8809","","10.3456","","90","","90","","120","","74.36","","","","","","","","","","","","","3","P 63/m m c","","","","","","- Li0.84 N2 W1.16 -","","","","","","Kaskel, S.; Hohlwein, D.; Strahle, J.","Study of ammonolysis reactions with in situ X-ray diffraction: Detection and crystal structure of Li0.84W1.16N2","Journal of Solid State Chemistry","1998","138","","154","159","10.1006/jssc.1998.7767","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "6000621","6.048","0.001","6.048","0.001","6.061","0.002","90","","90","","120","","192","0.1","150","1","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba H3 Na Pd -","- Ba H3 Na Pd -","- Ba2 H6 Na2 Pd2 -","2","0.0833333","","Malin Olofsson; Mikael Kritikos; Dag Noréus","The first trigonal planar transition metal-hydrogen complex in NaBaPdH3","Inorganic Chemistry","1998","37","","2900","2902","10.1021/ic971386q","","","0.71073","MoKa","","0.0221","0.0197","","0.0421","0.04","","","","1.254","1.248","1.248","","","","","has coordinates","277869","2022-09-15","09:06:00","" "6000739","2.8809","","2.8809","","10.3456","","90","","90","","120","","74.36","","","","","","","","","","","","","3","P 63/m m c","","","","","","- Li0.84 N W1.16 -","","","","","","Kaskel, S.; Hohlwein, D.; Strahle, J.","Study of ammonolysis reactions with in situ X-ray diffraction: Detection and crystal structure of Li0.84W1.16N2","Journal of Solid State Chemistry","1998","138","","154","159","10.1006/jssc.1998.7767","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "7005202","9.073","0.004","9.073","0.004","7.607","0.005","90","","90","","120","","542.3","0.5","298","2","298","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C7 H8 Cd Cu N3 O2 -","- C6.9996 H8.0016 Cd Cu N3 O2 -","- C13.9992 H16.0032 Cd2 Cu2 N6 O4 -","2","0.0833333","","Sato, Naoki; Nishikiori, Shin-Ichi","Crystal structure and dynamic properties of a bimetallic cyano complex Cd(C4H8O2)Cu(CN)3 with an interpenetrating 3D framework containing a 1,4-dioxane bridging ligand as a rotor.","Dalton transactions (Cambridge, England : 2003)","2007","","11","1115","1119","10.1039/b617894d","","","0.710688","MoKα","","0.0416","0.0379","","","0.1109","0.1134","","","","","","1.134","","","","has coordinates","179756","2020-10-21","18:00:00","" "7005926","9.9655","0.0007","9.9655","0.0007","7.7523","0.0007","90","","90","","120","","666.74","0.09","120","2","120","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","catena-((tris(mu$3!-3-amino-1,2,4-triazolato-N$1!,N$2!,N$4!))- chloro dicobalt(ii))","catena-((tris(μ^3^-3-amino-1,2,4-triazolato-N^1^,N^2^,N^4^))- chloro dicobalt(II))","","- C6 H9 Cl Co2 N12 -","- C6 H9 Cl Co2 N12 -","- C12 H18 Cl2 Co4 N24 -","2","0.0833333","","Patel, Rina; Weller, Mark T.; Price, Daniel J.","Topological ferrimagnetism and superparamagnetic-like behaviour in a disordered homometallic coordination network.","Dalton transactions (Cambridge, England : 2003)","2007","","36","4034","4039","10.1039/b706829h","","","0.71073","MoKα","","0.0904","0.0722","","","0.1357","0.141","","","","","","1.257","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7007008","14.549","0.0018","14.549","0.0018","17.767","0.004","90","","90","","120","","3256.9","0.9","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C8 H4 O7.33 Sc -","- C8 H4 O7.33333 Sc -","- C48 H24 O44 Sc6 -","6","0.25","","Dietzel, Pascal D. C.; Blom, Richard; Fjellvåg, Helmer","A scandium coordination polymer constructed from trimeric octahedral building blocks and 2,5-dihydroxyterephthalate.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2055","2057","10.1039/b516365j","","","0.71073","MoKα","","0.0705","0.0466","","","0.1236","0.131","","","","","","0.906","","","","has coordinates,has disorder","179774","2020-10-21","18:00:00","" "7009730","8.292","0.001","8.292","0.001","12.537","0.001","90","","90","","120","","746.52","0.14","223","2","223","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C12 H12 B2 F8 Ru -","- C12 H12 B2 F8 Ru -","- C24 H24 B4 F16 Ru2 -","2","0.0833333","","Braga, Dario; Cojazzi, Gianna; Abati, Alexander; Maini, Lucia; Polito, Marco; Scaccianoce, Laura; Grepioni, Fabrizia","Making and converting organometallic pseudo-polymorphs via non-solution methods †","Journal of the Chemical Society, Dalton Transactions","2000","","21","3969","","10.1039/b003160g","","","0.71073","MoKα","","0.0235","0.0227","","","0.0601","0.0618","","","","","","0.696","","","","has coordinates","179801","2020-10-21","18:00:00","" "7013584","14.478","0.008","14.478","0.008","32.08","0.02","90","","90","","120","","5823","6","110","2","110","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- H96 Na12 O116 Sn8 W18 -","- Na12 O131 Sn8 W18 -","- Na24 O262 Sn16 W36 -","2","0.0833333","","Sokolov, Maxim N.; Izarova, Natalya V.; Virovets, Alexander V.; Fedin, Vladimir P.; Starikova, Zoya A.; Antipin, Mikhail Yu.","Preparation and structure of [Sn8W18O66]8? ? a 26-nuclear stannotungstate with a hexagonal belt of six Sn(ii) ions with outward-looking lone pairs","Dalton Transactions","2003","","23","4389","","10.1039/b310235a","","","0.71073","MoKα","","0.1191","0.0632","","","0.1516","0.198","","","","","","1.137","","","","has coordinates","179839","2020-10-21","18:00:00","" "7013843","39.488","0.006","39.488","0.006","25.498","0.005","90","","90","","120","","34432","10","180","2","293","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C115 H125 F30 N30 O19 P5 Zn4 -","- C59.8333 H40 F17.2 N13 O9.33333 P3.00667 Zn2 -","- C718 H480 F206.4 N156 O112 P36.08 Zn24 -","12","0.5","","He, Zheng; He, Cheng; Wang, Zhe-Ming; Gao, En-Qing; Liu, Yuan; Yan, Chun-Hua","Self-assembly of molecular squares based on easy-to-prepare multidentate Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","4","502","504","10.1039/b315281b","","","0.71073","MoKα","","0.145","0.0852","","","0.2267","0.2542","","","","","","0.916","","","","has coordinates","179842","2020-10-21","18:00:00","" "7013943","20.463","0.002","20.463","0.002","17.989","0.002","90","","90","","120","","6523.4","1.2","223","2","223","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","Copper(i) Iodide 3:1 Complex with 1,2,3,6,7,8-Hexahydro- cinnolino(5,4,3-cde)cinnoline, acetonitrile solvate","Copper(I) Iodide 3:1 Complex with 1,2,3,6,7,8-Hexahydro-cinnolino[5,4,3-cde]cinnoline, acetonitrile solvate","","- C80 H84 Cu18 I18 N28 -","- C77 H72 Cu18 I18 N28 -","- C154 H144 Cu36 I36 N56 -","2","0.0833333","","Solntsev, Pavlo V.; Sieler, Joachim; Krautscheid, Harald; Domasevitch, Konstantin V.","Fused pyridazines: rigid multidentates for designing and fine-tuning the structure of hybrid organic/inorganic frameworks.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1153","1158","10.1039/b316561b","","","0.71073","MoKα","","0.0469","0.0434","","","0.102","0.1035","","","","","","1.178","","","","has coordinates","179843","2020-10-21","18:00:00","" "7014520","4.286","0.001","4.286","0.001","7.557","0.001","90","","90","","120","","120.22","0.04","150","","150","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6 Th -","- Ba F6 Th -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.47686","synchrotron","","0.0257","0.0238","","","0.032","0.0326","","","","1.18","1.18","1.14","","","","has coordinates","176432","2020-10-21","18:00:00","" "7014521","4.255","0.001","4.255","0.001","7.498","0.001","90","","90","","120","","117.56","0.04","293","","293","","2120000","","2120000","","","","BaThF6_anharmonic_2.12GPa","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6 Th -","- Ba F6 Th -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.4","Synchrotron","","0.0531","0.0531","","","0.0539","0.0539","","","","3.57","3.57","3.57","","","","has coordinates","282883","2023-04-27","16:14:28","" "7014522","4.29","0.001","4.29","0.001","7.56","0.001","90","","90","","120","","120.49","0.04","200","","200","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6 Th -","- Ba F6 Th -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.47686","synchrotron","","0.0257","0.0234","","","0.0319","0.0327","","","","1","1","0.96","","","","has coordinates","176432","2020-10-21","18:00:00","" "7014523","4.293","0.001","4.293","0.001","7.568","0.001","90","","90","","120","","120.79","0.04","250","","250","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6 Th -","- Ba F6 Th -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.47686","synchrotron","","0.0244","0.0231","","","0.0325","0.0329","","","","1.87","1.87","1.82","","","","has coordinates","176432","2020-10-21","18:00:00","" "7014524","4.217","0.001","4.217","0.001","7.431","0.001","90","","90","","120","","114.44","0.04","293","","293","","4090000","","4090000","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6 Th -","- Ba F6 Th -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.4","Synchrotron","","0.0496","0.0496","","","0.0542","0.0542","","","","3.76","3.76","3.76","","","","has coordinates","176432","2020-10-21","18:00:00","" "7014525","4.296","0.001","4.296","0.001","7.571","0.001","90","","90","","120","","121.01","0.04","293","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6 Th -","- Ba F6 Th -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.47686","synchrotron","","0.0228","0.0216","","","0.0309","0.0316","","","","1.67","1.67","1.66","","","","has coordinates","176432","2020-10-21","18:00:00","" "7014526","4.286","0.001","4.286","0.001","7.557","0.001","90","","90","","120","","120.22","0.04","150","","150","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6 Th -","- Ba F6 Th -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.47686","synchrotron","","0.0846","0.0737","","","0.2014","0.2031","","","","7.4","7.4","7.12","","","","has coordinates","176432","2020-10-21","18:00:00","" "7014527","4.255","0.001","4.255","0.001","7.498","0.001","90","","90","","120","","117.56","0.04","293","","293","","2120000","","2120000","","","","BaThF6_ideal_2.12GPa","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6 Th -","- Ba F6 Th -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.4","Synchrotron","","0.0683","0.0683","","","0.0743","0.0743","","","","4.9","4.9","4.9","","","","has coordinates","282883","2023-04-27","16:14:28","" "7014528","4.29","0.001","4.29","0.001","7.56","0.001","90","","90","","120","","120.49","0.04","200","","200","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6 Th -","- Ba F6 Th -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.47686","synchrotron","","0.0823","0.0686","","","0.1848","0.1877","","","","5.79","5.79","5.53","","","","has coordinates","176432","2020-10-21","18:00:00","" "7014529","4.293","0.001","4.293","0.001","7.568","0.001","90","","90","","120","","120.79","0.04","250","","250","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6 Th -","- Ba F6 Th -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.47686","synchrotron","","0.0776","0.07","","","0.2082","0.2093","","","","11.96","11.96","11.58","","","","has coordinates","176432","2020-10-21","18:00:00","" "7014531","4.296","0.001","4.296","0.001","7.571","0.001","90","","90","","120","","121.01","0.04","293","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6 Th -","- Ba F6 Th -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.47686","synchrotron","","0.0778","0.0709","","","0.2179","0.2192","","","","11.79","11.79","11.46","","","","has coordinates","176432","2020-10-21","18:00:00","" "7014532","4.286","0.001","4.286","0.001","7.557","0.001","90","","90","","120","","120.22","0.04","150","","150","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6.0008 Th1.0002 -","- Ba F6.0008 Th1.0002 -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.47686","synchrotron","","0.0261","0.024","","","0.0393","0.0398","","","","1.46","1.46","1.4","","","","has coordinates","176432","2020-10-21","18:00:00","" "7014533","4.255","0.001","4.255","0.001","7.498","0.001","90","","90","","120","","117.56","0.04","293","","293","","2120000","","2120000","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6.0008 Th1.0002 -","- Ba F6.0008 Th1.0002 -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.4","Synchrotron","","0.0511","0.0511","","","0.0497","0.0497","","","","3.34","3.34","3.34","","","","has coordinates","176432","2020-10-21","18:00:00","" "7014534","4.29","0.001","4.29","0.001","7.56","0.001","90","","90","","120","","120.49","0.04","200","","200","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6.0008 Th1.0002 -","- Ba F6.0008 Th1.0002 -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.47686","synchrotron","","0.0257","0.0232","","","0.0368","0.0375","","","","1.16","1.16","1.11","","","","has coordinates","176432","2020-10-21","18:00:00","" "7014535","4.293","0.001","4.293","0.001","7.568","0.001","90","","90","","120","","120.79","0.04","250","","250","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6.0008 Th1.0002 -","- Ba F6.0008 Th1.0002 -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.47686","synchrotron","","0.025","0.0234","","","0.0397","0.04","","","","2.3","2.3","2.23","","","","has coordinates","176432","2020-10-21","18:00:00","" "7014536","4.217","0.001","4.217","0.001","7.431","0.001","90","","90","","120","","114.44","0.04","293","","293","","4090000","","4090000","","","","","3","P 63/m m c","-P 6c 2c","194","barium thorium hexafluorid","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6.0008 Th1.0002 -","- Ba F6.0008 Th1.0002 -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.4","Synchrotron","","0.046","0.046","","","0.0491","0.0491","","","","3.45","3.45","3.45","","","","has coordinates","176432","2020-10-21","18:00:00","" "7014537","4.296","0.001","4.296","0.001","7.571","0.001","90","","90","","120","","121.01","0.04","293","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6.0008 Th1.0002 -","- Ba F6.0008 Th1.0002 -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.47686","synchrotron","","0.022","0.0206","","","0.0386","0.0391","","","","2.1","2.1","2.06","","","","has coordinates","176432","2020-10-21","18:00:00","" "7016270","7.431","0.002","7.431","0.002","8.058","0.002","90","","90","","120","","385.35","0.18","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C3 H9 Cl2 Ta -","- C3 H9 Cl2 Ta -","- C6 H18 Cl4 Ta2 -","2","0.0833333","","Sattler, Aaron; Ruccolo, Serge; Parkin, Gerard","Structural characterization of TaMe(3)Cl(2) and Ta(PMe(3))(2)Me(3)Cl(2), a pair of five and seven-coordinate d(0) tantalum methyl compounds.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7777","7782","10.1039/c1dt10806a","","","0.71073","MoKα","","0.0141","0.0128","","","0.0325","0.0333","","","","","","1.245","","","","has coordinates","179866","2020-10-21","18:00:00","" "7019804","61.53","0.001","61.53","0.001","63.896","0.001","90","","90","","120","","209497","6","123","2","123","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C60 H552.5 Mo132 N5 O653.25 Sr18.5 -","- C60 Mo132 O658.261 Sr18.514 -","- C360 Mo792 O3949.56 Sr111.084 -","6","0.25","","Saito, Masaki; Ozeki, Tomoji","Crystallization of a Keplerate-type polyoxometalate into a superposed kagome-lattice with huge channels.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9846","9848","10.1039/c2dt30582h","","","0.689","synchrotron","","0.1502","0.0932","","","0.2676","0.331","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7024710","4.7045","0.0012","4.7045","0.0012","18.123","0.009","90","","90","","120","","347.4","0.2","120","2","120","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba0.88 Ga Sb -","- Ba0.875 Ga1.01 Sb -","- Ba3.5 Ga4.04 Sb4 -","4","0.166667","","Bobev, Svilen; Hullmann, Jonathan; Harmening, Thomas; Pöttgen, Rainer","Novel ternary alkaline-earth and rare-earth metal antimonides from gallium or indium flux. Synthesis, structural characterization and 121Sb and 151Eu Mössbauer spectroscopy of the series A7Ga8Sb8 (A = Sr, Ba, Eu) and Ba7In8Sb8.","Dalton transactions (Cambridge, England : 2003)","2010","39","26","6049","6055","10.1039/b920583g","","","0.71073","MoKα","","0.0413","0.0365","","","0.0901","0.0916","","","","","","1.352","","","","has coordinates","179952","2020-10-21","18:00:00","" "7024711","4.8274","0.0003","4.8274","0.0003","18.421","0.002","90","","90","","120","","371.77","0.05","120","2","120","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba0.88 In Sb -","- Ba0.875 In1.01 Sb -","- Ba3.5 In4.04 Sb4 -","4","0.166667","","Bobev, Svilen; Hullmann, Jonathan; Harmening, Thomas; Pöttgen, Rainer","Novel ternary alkaline-earth and rare-earth metal antimonides from gallium or indium flux. Synthesis, structural characterization and 121Sb and 151Eu Mössbauer spectroscopy of the series A7Ga8Sb8 (A = Sr, Ba, Eu) and Ba7In8Sb8.","Dalton transactions (Cambridge, England : 2003)","2010","39","26","6049","6055","10.1039/b920583g","","","0.71073","MoKα","","0.0495","0.0489","","","0.1136","0.114","","","","","","1.352","","","","has coordinates","179952","2020-10-21","18:00:00","" "7024712","4.5409","0.0008","4.5409","0.0008","17.486","0.004","90","","90","","120","","312.25","0.11","120","2","120","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ga0.83 Sb Sr0.88 -","- Ga0.841 Sb Sr0.8785 -","- Ga3.364 Sb4 Sr3.514 -","4","0.166667","","Bobev, Svilen; Hullmann, Jonathan; Harmening, Thomas; Pöttgen, Rainer","Novel ternary alkaline-earth and rare-earth metal antimonides from gallium or indium flux. Synthesis, structural characterization and 121Sb and 151Eu Mössbauer spectroscopy of the series A7Ga8Sb8 (A = Sr, Ba, Eu) and Ba7In8Sb8.","Dalton transactions (Cambridge, England : 2003)","2010","39","26","6049","6055","10.1039/b920583g","","","0.71073","MoKα","","0.0197","0.0181","","","0.0413","0.0417","","","","","","1.16","","","","has coordinates","179952","2020-10-21","18:00:00","" "7024713","4.4942","0.0008","4.4942","0.0008","17.274","0.006","90","","90","","120","","302.15","0.13","120","2","120","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Eu0.88 Ga Sb -","- Eu0.875 Ga1.01 Sb -","- Eu3.5 Ga4.04 Sb4 -","4","0.166667","","Bobev, Svilen; Hullmann, Jonathan; Harmening, Thomas; Pöttgen, Rainer","Novel ternary alkaline-earth and rare-earth metal antimonides from gallium or indium flux. Synthesis, structural characterization and 121Sb and 151Eu Mössbauer spectroscopy of the series A7Ga8Sb8 (A = Sr, Ba, Eu) and Ba7In8Sb8.","Dalton transactions (Cambridge, England : 2003)","2010","39","26","6049","6055","10.1039/b920583g","","","0.71073","MoKα","","0.0357","0.0353","","","0.0769","0.077","","","","","","1.282","","","","has coordinates","179952","2020-10-21","18:00:00","" "7024714","4.5409","0.0008","4.5409","0.0008","17.486","0.004","90","","90","","120","","312.25","0.11","120","2","120","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ga Sb Sr0.88 -","- Ga1.01 Sb Sr0.875 -","- Ga4.04 Sb4 Sr3.5 -","4","0.166667","","Bobev, Svilen; Hullmann, Jonathan; Harmening, Thomas; Pöttgen, Rainer","Novel ternary alkaline-earth and rare-earth metal antimonides from gallium or indium flux. Synthesis, structural characterization and 121Sb and 151Eu Mössbauer spectroscopy of the series A7Ga8Sb8 (A = Sr, Ba, Eu) and Ba7In8Sb8.","Dalton transactions (Cambridge, England : 2003)","2010","39","26","6049","6055","10.1039/b920583g","","","0.71073","MoKα","","0.0374","0.0355","","","0.0931","0.0936","","","","","","1.352","","","","has coordinates","179952","2020-10-21","18:00:00","" "7026859","10.2392","0.0003","10.2392","0.0003","10.9215","0.0004","90","","90","","120","","991.62","0.05","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","sodium borosilicide","8 sodium 74.5 boron 17.5 silicon","","- B74.5 Na8 Si17.5 -","- B74.516 Na8 Si17.484 -","- B74.516 Na8 Si17.484 -","1","0.0416667","","Morito, Haruhiko; Eck, Bernhard; Dronskowski, Richard; Yamane, Hisanori","Synthesis and crystal structure of sodium borosilicide, Na8B74.5Si17.5.","Dalton transactions (Cambridge, England : 2003)","2010","39","42","10197","10202","10.1039/c0dt00801j","","","0.71075","MoKα","","0.0439","0.0389","","","0.0938","0.0965","","","","","","1.139","","","","has coordinates","176453","2020-10-21","18:00:00","" "7035486","17.1591","0.0015","17.1591","0.0015","24.633","0.002","90","","90","","120","","6281.1","0.9","298","2","298","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C49 H84 Co12 N30 O31 -","- C49 H84 Co12 N29.9994 O31.0002 -","- C98 H168 Co24 N59.9988 O62.0004 -","2","0.0833333","","Zhang, Xiu-Mei; Li, Peng; Gao, Wei; Liu, Jie-Ping; Gao, En-Qing","A new cube-based dodecanuclear cobalt(ii) cluster with azide and tetrazolate ligands exhibiting ferromagnetic ordering.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13581","13585","10.1039/c5dt02032h","","","0.71073","MoKα","","0.1253","0.0849","","","0.24","0.2678","","","","","","1.013","","","","has coordinates,has disorder","153158","2020-10-21","18:00:00","" "7035621","12.292","0.0006","12.292","0.0006","22.719","0.0013","90","","90","","120","","2972.8","0.3","150.01","0.1","150.01","0.1","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C44 H91 Cr3 O22 -","- C44.0028 H88.0056 Cr3 O22.0012 -","- C88.0056 H176.011 Cr6 O44.0024 -","2","0.0833333","","Ghirri, Alberto; van Tol, Johan; Vitorica-Yrezabal, Inigo; Timco, Grigore A.; Winpenny, Richard E. P.","Effects of the Dzyaloshinskii-Moriya interaction in Cr3 triangular spin clusters detected by specific heat and multi-frequency electron spin resonance.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14027","14033","10.1039/c5dt01938a","","","0.71073","MoKα","","0.0919","0.0732","","","0.1961","0.2107","","","","","","1.093","","","","has coordinates,has disorder","153170","2020-10-21","18:00:00","" "7036070","6.0589","0.0009","6.0589","0.0009","15.024","0.003","90","","90","","120","","477.64","0.14","153.15","","153.15","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- K3 La O9 Te2 -","- K3 La O9 Te2 -","- K6 La2 O18 Te4 -","2","0.0833333","","Zhang, Xinyuan; Yao, Jiyong; Jiang, Xingxing; Fu, Ying; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","K3LaTe2O9: a new alkali-rare earth tellurate with face-sharing TeO6 octahedra.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15576","15582","10.1039/c5dt02255j","","","0.71073","MoKα","","0.0233","0.0227","","","0.0463","0.0465","","","","","","2.135","","","","has coordinates","176428","2020-10-21","18:00:00","" "7036829","14.478","","14.478","","32.08","","90","","90","","120","","5823.47","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","(Na12 (O H)4 (H2 O)28) (W18 Sn8 O66) (H2 O)27","","- Na12 O119 Sn8 W18 -","- Na12 O125 Sn8 W18 -","- Na24 O250 Sn16 W36 -","2","0.0833333","","Sokolov, M.N.; Antipin, M. Yu.; Izarova, N.V.; Virovets, A.V.; Fedin, V.P.; Starikova, Z.A.","Preparation and structure of (Sn8 W18 O66)8- a 26-nuclear stannotungstate with a hexagonal belt of six Sn(II) ions with outward-looking lone pairs","DALTON TRANSACTIONS (CAMBRIDGE, ENGLAND : 2003)","2003","2003","","4389","4390","","","","","","","","","","","","","","","","","","","","","","has coordinates","162104","2020-10-21","18:00:00","" "7040037","18.5653","0.0006","18.5653","0.0006","23.9636","0.0011","90","","90","","120","","7153","0.5","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C20 H13 Cu2 N3 O10 -","- C20 H13 Cu2 N3 O10 -","- C120 H78 Cu12 N18 O60 -","6","0.25","","Jiao, Jingjing; Dou, Li; Liu, Huimin; Chen, Fengli; Bai, Dongjie; Feng, Yunlong; Xiong, Shunshun; Chen, De-Li; He, Yabing","An aminopyrimidine-functionalized cage-based metal-organic framework exhibiting highly selective adsorption of C2H2 and CO2 over CH4.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13373","13382","10.1039/c6dt02150f","","","0.71073","MoKα","","0.1025","0.0777","","","0.1628","0.1773","","","","","","1.168","","","","has coordinates","186394","2020-10-21","18:00:00","" "7040511","18.5085","0.0006","18.5085","0.0006","22.9306","0.0011","90","","90","","120","","6802.8","0.5","296","","296","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C23 H9 Cu2 O12 -","- C23 H13 Cu2 O12 -","- C138 H78 Cu12 O72 -","6","0.25","","Yan, Yang-Tian; Zhang, Wen-Yan; Wu, Yun-Long; Li, Jiang; Xi, Zheng-Ping; Wang, Yao-Yu; Hou, Lei","Four new 3D metal-organic frameworks constructed by the asymmetrical pentacarboxylate: gas sorption behaviour and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15473","15480","10.1039/c6dt02846b","","","1.54178","CuKα","","0.0901","0.0688","","","0.2346","0.2723","","","","","","1.067","","","","has coordinates,has disorder","188131","2020-10-21","18:00:00","" "7040680","3.91052","0.000007","3.91052","0.000007","17.15815","0.00004","90","","90","","120","","227.232","0.0008","963","","963","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- As0.96 Fe2.643 Te2 -","- As0.96 Fe2.643 Te2 -","- As1.92 Fe5.286 Te4 -","2","0.0833333","","Verchenko, Valeriy Yu; Sokolov, Sergei S.; Tsirlin, Alexander A.; Sobolev, Alexey V.; Presniakov, Igor A.; Bykov, Mikhail A.; Kirsanova, Maria A.; Shevelkov, Andrei V.","New Fe-based layered telluride Fe3-δAs1-yTe2: synthesis, crystal structure and physical properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16938","16947","10.1039/c6dt02721k","powder diffraction","x-ray","0.39996","Synchrotron","","0.0733","0.0348","","0.0342","0.0325","","","","1.35","","","","","","","has coordinates","188240","2020-10-21","18:00:00","" "7040681","3.85091","0.00009","3.85091","0.00009","17.1367","0.0004","90","","90","","120","","220.082","0.009","300","","300","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- As0.96 Fe2.72 Te2 -","- As0.96 Fe2.72 Te2 -","- As1.92 Fe5.44 Te4 -","2","0.0833333","","Verchenko, Valeriy Yu; Sokolov, Sergei S.; Tsirlin, Alexander A.; Sobolev, Alexey V.; Presniakov, Igor A.; Bykov, Mikhail A.; Kirsanova, Maria A.; Shevelkov, Andrei V.","New Fe-based layered telluride Fe3-δAs1-yTe2: synthesis, crystal structure and physical properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16938","16947","10.1039/c6dt02721k","powder diffraction","x-ray","1.5406","","","0.0599","0.0502","","0.0604","0.0599","","","","1.44","","","","","","","has coordinates","188240","2020-10-21","18:00:00","" "7041572","9.5888","0.0003","9.5888","0.0003","9.5942","0.0003","90","","90","","120","","763.96","0.04","293","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al3 Ru Y10 -","- Al3 Ru Y10 -","- Al6 Ru2 Y20 -","2","0.0833333","","Benndorf, Christopher; Eckert, Hellmut; Janka, Oliver","Ternary rare-earth aluminium intermetallics RE10TAl3 (RE = Y, Ho, Tm, Lu; T = Fe, Co, Ni, Ru, Rh, Pd, Os, Ir, Pt) with an ordered anti-Co2Al5 structure.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1083","1092","10.1039/c6dt04314c","","x-ray","0.71073","MoKα","","0.0568","0.0336","","","0.0672","0.073","","","","1.65","1.65","1.5","","","","has coordinates","191610","2020-10-21","18:00:00","" "7041573","9.2985","0.0004","9.2985","0.0004","9.2702","0.0004","90","","90","","120","","694.14","0.05","293","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al2.72 Lu10 Ni1.28 -","- Al2.76 Lu10 Ni1.24 -","- Al5.52 Lu20 Ni2.48 -","2","0.0833333","","Benndorf, Christopher; Eckert, Hellmut; Janka, Oliver","Ternary rare-earth aluminium intermetallics RE10TAl3 (RE = Y, Ho, Tm, Lu; T = Fe, Co, Ni, Ru, Rh, Pd, Os, Ir, Pt) with an ordered anti-Co2Al5 structure.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1083","1092","10.1039/c6dt04314c","","x-ray","0.71073","MoKα","","0.0371","0.0245","","","0.0495","0.0516","","","","1.62","1.62","1.52","","","","has coordinates","191610","2020-10-21","18:00:00","" "7043098","18.7251","0.0003","18.7251","0.0003","23.3446","0.0006","90","","90","","120","","7088.7","0.2","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C26 H17 Cu2 N O10 -","- C28 H13 Cu2 N O10 -","- C168 H78 Cu12 N6 O60 -","6","0.25","","Jiao, Jingjing; Jiang, Donghao; Chen, Fengli; Bai, Dongjie; He, Yabing","A Porous Metal-Organic Framework Based on an Asymmetric Angular Diisophthalate for Selective Adsorption of C2H2 and CO2 over CH4","Dalton Trans.","2017","","","","","10.1039/C7DT01450C","","","0.71073","MoKα","","0.1074","0.0856","","","0.2188","0.2399","","","","","","1.229","","","","has coordinates","196927","2020-10-21","18:00:00","" "7043855","13.149","0.002","13.149","0.002","13.596","0.003","90","","90","","120","","2035.8","0.6","205","","205","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C18 H27 Cd5 N36 -","- C18 H27 Cd5 N36 -","- C36 H54 Cd10 N72 -","2","0.0833333","","Xu, Yuangang; Liu, wei; li, dongxue; Chen, Houhe; Lu, Ming","In situ synthesized 3D metal-organic frameworks (MOFs) constructed from transition metal cations and tetrazole derivatives : a family of insensitive energetic materials","Dalton Trans.","2017","","","","","10.1039/C7DT02582C","","","0.71073","MoKα","","0.0768","0.0624","","","0.1915","0.2023","","","","","","1.054","","","","has coordinates,has disorder","199421","2020-10-21","18:00:00","" "7043923","18.315","0.0007","18.315","0.0007","26.7665","0.0014","90","","90","","120","","7775.6","0.6","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C38 H48 Cu2 N4 O16 -","- C26 H12 Cu2 O10 -","- C156 H72 Cu12 O60 -","6","0.25","","Chen, Fengli; Bai, Dongjie; Jiang, Donghao; Wang, Yao; He, Yabing","A Comparative Study of C2H2 Adsorption Properties in Five Isomeric Copper-Based MOFs Based on Naphthalene-Derived Diisophthalates","Dalton Trans.","2017","","","","","10.1039/C7DT02290E","","","1.54184","CuKα","","0.1969","0.1205","","","0.3686","0.4127","","","","","","1.103","","","","has coordinates","199629","2020-10-21","18:00:00","" "7043924","18.6937","0.0006","18.6937","0.0006","23.5643","0.0014","90","","90","","120","","7131.4","0.5","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C38 H46 Cu2 N4 O15 -","- C26 H11 Cu2 O10 -","- C156 H66 Cu12 O60 -","6","0.25","","Chen, Fengli; Bai, Dongjie; Jiang, Donghao; Wang, Yao; He, Yabing","A Comparative Study of C2H2 Adsorption Properties in Five Isomeric Copper-Based MOFs Based on Naphthalene-Derived Diisophthalates","Dalton Trans.","2017","","","","","10.1039/C7DT02290E","","","0.71073","MoKα","","0.1153","0.0602","","","0.1749","0.1971","","","","","","1.059","","","","has coordinates","199629","2020-10-21","18:00:00","" "7044014","4.2166","0.0002","4.2166","0.0002","24.0406","0.001","90","","90","","120","","370.17","0.03","100","2","100","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Cu6.35 Na Sb3 -","- Cu6.343 Na Sb2.9999 -","- Cu12.686 Na2 Sb5.9998 -","2","0.0833333","","Owens-Baird, Bryan; Lee, Shannon; Kovnir, Kirill","Two-Dimensional Metal NaCu6.3Sb3 and Solid-State Transformations of Sodium Copper Antimonides","Dalton Trans.","2017","","","","","10.1039/C7DT02329D","","","0.71073","MoKα","","0.0223","0.0218","","","0.0485","0.049","","","","","","1.217","","","","has coordinates","199888","2020-10-21","18:00:00","" "7044772","7.5725","0.0011","7.5725","0.0011","13.338","0.003","90","","90","","120","","662.4","0.2","298","2","298","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C7 H6 Ca Co N9 -","- C7 Ca Co N9.0002 -","- C14 Ca2 Co2 N18.0004 -","2","0.0833333","","Liu, Yu-Ling; Zhang, Wen","Dielectric transitions and relaxations in Ca(ii)Co(iii)-based cyanometallate frameworks with a rare (6,6)-connected nia topology.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","45","48","10.1039/c7dt03855k","","","0.71073","MoKα","","0.0534","0.0531","","","0.1888","0.1891","","","","","","1.326","","","","has coordinates","229377","2020-10-21","18:00:00","" "7044773","7.5487","0.0011","7.5487","0.0011","13.313","0.003","90","","90","","120","","657","0.2","298","2","298","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C7 H5 Ca Co N8 O -","- C7 Ca Co N8.0004 O -","- C14 Ca2 Co2 N16.0008 O2 -","2","0.0833333","","Liu, Yu-Ling; Zhang, Wen","Dielectric transitions and relaxations in Ca(ii)Co(iii)-based cyanometallate frameworks with a rare (6,6)-connected nia topology.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","45","48","10.1039/c7dt03855k","","","0.71073","MoKα","","0.0831","0.0828","","","0.2428","0.2429","","","","","","1.244","","","","has coordinates","229377","2020-10-21","18:00:00","" "7044774","7.5237","0.0011","7.5237","0.0011","13.576","0.003","90","","90","","120","","665.5","0.2","298","2","298","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C7 H5 Ca Co N8 S -","- C7 Ca Co N8.0004 S -","- C14 Ca2 Co2 N16.0008 S2 -","2","0.0833333","","Liu, Yu-Ling; Zhang, Wen","Dielectric transitions and relaxations in Ca(ii)Co(iii)-based cyanometallate frameworks with a rare (6,6)-connected nia topology.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","45","48","10.1039/c7dt03855k","","","0.71073","MoKα","","0.0753","0.0751","","","0.2424","0.2425","","","","","","1.229","","","","has coordinates","229377","2020-10-21","18:00:00","" "7044775","7.505","0.007","7.505","0.007","13.575","0.018","90","","90","","120","","662.2","1.2","93","2","93","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C7 H5 Ca Co N8 S -","- C7 Ca Co N8.0004 S -","- C14 Ca2 Co2 N16.0008 S2 -","2","0.0833333","","Liu, Yu-Ling; Zhang, Wen","Dielectric transitions and relaxations in Ca(ii)Co(iii)-based cyanometallate frameworks with a rare (6,6)-connected nia topology.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","45","48","10.1039/c7dt03855k","","","0.71073","MoKα","","0.0703","0.0697","","","0.2136","0.214","","","","","","1.259","","","","has coordinates","229377","2020-10-21","18:00:00","" "7044776","7.529","0.006","7.529","0.006","13.243","0.014","90","","90","","120","","650.1","1","93","2","93","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C7 H5 Ca Co N8 O -","- C7 Ca Co N8.0001 O -","- C14 Ca2 Co2 N16.0002 O2 -","2","0.0833333","","Liu, Yu-Ling; Zhang, Wen","Dielectric transitions and relaxations in Ca(ii)Co(iii)-based cyanometallate frameworks with a rare (6,6)-connected nia topology.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","45","48","10.1039/c7dt03855k","","","0.71073","MoKα","","0.0874","0.087","","","0.2299","0.2302","","","","","","1.135","","","","has coordinates","229377","2020-10-21","18:00:00","" "7044777","7.575","0.007","7.575","0.007","13.31","0.02","90","","90","","120","","661.4","1.3","93","2","93","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C7 H6 Ca Co N9 -","- C7 Ca Co N8.9999 -","- C14 Ca2 Co2 N17.9998 -","2","0.0833333","","Liu, Yu-Ling; Zhang, Wen","Dielectric transitions and relaxations in Ca(ii)Co(iii)-based cyanometallate frameworks with a rare (6,6)-connected nia topology.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","45","48","10.1039/c7dt03855k","","","0.71073","MoKα","","0.0718","0.0702","","","0.2052","0.2072","","","","","","1.205","","","","has coordinates","229377","2020-10-21","18:00:00","" "7045116","18.5","0.0013","18.5","0.0013","23.582","0.002","90","","90","","120","","6989.6","0.9","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C23 H8 Cu2 F3 N O10 -","- C23 H8 Cu2 F3 N O10 -","- C138 H48 Cu12 F18 N6 O60 -","6","0.25","","Gupta, Anoop K.; De, Dinesh; Tomar, Kapil; Bharadwaj, Parimal K.","A Cu(ii) metal-organic framework with significant H2 and CO2 storage capacity and heterogeneous catalysis for the aerobic oxidative amination of C(sp3)-H bonds and Biginelli reactions.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1624","1634","10.1039/c7dt04006g","","","0.71073","MoKα","","0.1194","0.0801","","","0.246","0.2696","","","","","","1.094","","","","has coordinates","229463","2020-10-21","18:00:00","" "7045267","18.3886","0.0003","18.3886","0.0003","23.7146","0.0009","90","","90","","120","","6944.5","0.3","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C25 H20 Cu2 O10 -","- C25 H20 Cu2 O10 -","- C150 H120 Cu12 O60 -","6","0.25","","Wang, Yao; He, Minghui; Tian, Zhi; Zhong, Haoyan; Zhu, Lisha; Zhang, Yingying; Zhang, Xiaoping; Chen, De-Li; He, Yabing","Rational construction of an ssa-type of MOF through pre-organizing the ligand's conformation and its exceptional gas adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2444","2452","10.1039/c7dt04867j","","","0.71073","MoKα","","0.0818","0.0597","","","0.1854","0.1973","","","","","","1.015","","","","has coordinates","229797","2020-10-21","18:00:00","" "7045268","18.4124","0.0003","18.4124","0.0003","23.7198","0.0009","90","","90","","120","","6964.1","0.3","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C25 H20 Cu2 O10 -","- C25 H20 Cu2 O10 -","- C150 H120 Cu12 O60 -","6","0.25","","Wang, Yao; He, Minghui; Tian, Zhi; Zhong, Haoyan; Zhu, Lisha; Zhang, Yingying; Zhang, Xiaoping; Chen, De-Li; He, Yabing","Rational construction of an ssa-type of MOF through pre-organizing the ligand's conformation and its exceptional gas adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2444","2452","10.1039/c7dt04867j","","","1.34139","GaKα","","0.083","0.0577","","","0.1869","0.1967","","","","","","1.026","","","","has coordinates","229797","2020-10-21","18:00:00","" "7046546","18.4999","0.0003","18.4999","0.0003","24.0168","0.0003","90","","90","","120","","7118.44","0.19","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C38 H53 Cu2 N5 O16 -","- C23 H16 Cu2 O10 -","- C138 H96 Cu12 O60 -","6","0.25","","He, Minghui; Wang, Yao; Gao, Xiaoxia; Li, Saidan; He, Yabing","Three ligand-originated MOF isomers: the positional effect of the methyl group on structures and selective C2H2/CH4 and CO2/CH4 adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8983","8991","10.1039/c8dt01017j","","","1.54184","CuKα","","0.0537","0.0398","","","0.1313","0.1368","","","","","","1.032","","","","has coordinates","229313","2020-10-21","18:00:00","" "7046547","18.4882","0.0004","18.4882","0.0004","23.4316","0.0011","90","","90","","120","","6936.2","0.4","100","2","100","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C38 H51 Cu2 N5 O15 -","- C23 H16 Cu2 O10 -","- C138 H96 Cu12 O60 -","6","0.25","","He, Minghui; Wang, Yao; Gao, Xiaoxia; Li, Saidan; He, Yabing","Three ligand-originated MOF isomers: the positional effect of the methyl group on structures and selective C2H2/CH4 and CO2/CH4 adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8983","8991","10.1039/c8dt01017j","","","0.71073","MoKα","","0.0885","0.0532","","","0.1566","0.167","","","","","","1.042","","","","has coordinates,has disorder","229313","2020-10-21","18:00:00","" "7047257","18.4908","0.0005","18.4908","0.0005","23.7857","0.0013","90","","90","","120","","7043","0.5","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C21 H15 Cu2 N3 O10 -","- C21 H15 Cu2 N3 O10 -","- C126 H90 Cu12 N18 O60 -","6","0.25","","Wang, Yao; He, Minghui; Gao, Xiaoxia; Long, Piao; Zhang, Yingying; Zhong, Haoyan; Wang, Xia; He, Yabing","Three isoreticular ssa-type MOFs derived from bent diisophthalate ligands: exploring the substituent effect on structural stabilities and selective C2H2/CH4 and CO2/CH4 adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12702","12710","10.1039/c8dt02686f","","","0.71073","MoKα","","0.1233","0.0802","","","0.2936","0.317","","","","","","1.096","","","","has coordinates","229924","2020-10-21","18:00:00","" "7047258","18.6741","0.0002","18.6741","0.0002","23.6008","0.0003","90","","90","","120","","7127.49","0.14","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C23 H17 Cu2 N O12 -","- C23 H17 Cu2 N O12 -","- C138 H102 Cu12 N6 O72 -","6","0.25","","Wang, Yao; He, Minghui; Gao, Xiaoxia; Long, Piao; Zhang, Yingying; Zhong, Haoyan; Wang, Xia; He, Yabing","Three isoreticular ssa-type MOFs derived from bent diisophthalate ligands: exploring the substituent effect on structural stabilities and selective C2H2/CH4 and CO2/CH4 adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12702","12710","10.1039/c8dt02686f","","","0.71073","MoKα","","0.061","0.0574","","","0.1999","0.2026","","","","","","1.689","","","","has coordinates","229924","2020-10-21","18:00:00","" "7047259","18.5415","0.0002","18.5415","0.0002","23.429","0.0005","90","","90","","120","","6975.48","0.18","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C23 H17 Cu2 N O10 -","- C23 H17 Cu2 N O10 -","- C138 H102 Cu12 N6 O60 -","6","0.25","","Wang, Yao; He, Minghui; Gao, Xiaoxia; Long, Piao; Zhang, Yingying; Zhong, Haoyan; Wang, Xia; He, Yabing","Three isoreticular ssa-type MOFs derived from bent diisophthalate ligands: exploring the substituent effect on structural stabilities and selective C2H2/CH4 and CO2/CH4 adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12702","12710","10.1039/c8dt02686f","","","0.71073","MoKα","","0.0573","0.0544","","","0.2173","0.2257","","","","","","1.042","","","","has coordinates","229924","2020-10-21","18:00:00","" "7049540","13.8721","0.0008","13.8721","0.0008","15.0022","0.0018","90","","90","","120","","2500.2","0.4","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C24 H54 N3 O11 P2 Yb -","- C24 H54 N3 O11 P2 Yb -","- C48 H108 N6 O22 P4 Yb2 -","2","0.0833333","","Zhao, Wen; Cui, Huihui; Chen, Xiao-Yun; Yi, Gangji; Chen, Lei; Yuan, Aihua; Luo, Cheng-Lin","An eight-coordinate ytterbium complex with a hexagonal bipyramid geometry exhibiting field-induced single-ion magnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5621","5626","10.1039/c9dt00663j","","","0.71073","MoKα","","0.084","0.0756","","","0.2339","0.241","","","","","","1.165","","","","has coordinates","224104","2020-10-21","18:00:00","" "7049541","13.9163","0.0014","13.9163","0.0014","15.107","0.004","90","","90","","120","","2533.7","0.8","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C24 H54 N3 O11 P2 Tb -","- C24 H60 N3 O11 P2 Tb -","- C48 H120 N6 O22 P4 Tb2 -","2","0.0833333","","Zhao, Wen; Cui, Huihui; Chen, Xiao-Yun; Yi, Gangji; Chen, Lei; Yuan, Aihua; Luo, Cheng-Lin","An eight-coordinate ytterbium complex with a hexagonal bipyramid geometry exhibiting field-induced single-ion magnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5621","5626","10.1039/c9dt00663j","","","0.71073","MoKα","","0.0818","0.0763","","","0.2075","0.2111","","","","","","1.118","","","","has coordinates","224104","2020-10-21","18:00:00","" "7054164","3.2689","0.0002","3.2689","0.0002","9.4008","0.0012","90","","90","","120","","86.996","0.013","293","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Iron(II) cyanamide","","- C Fe N2 -","- C Fe N2 -","- C2 Fe2 N4 -","2","0.0833333","","Herlitschke, M.; Tchougréeff, A. L.; Soudackov, A. V.; Klobes, B.; Stork, L.; Dronskowski, R.; Hermann, R. P.","Magnetism and lattice dynamics of FeNCN compared to FeO","New J. Chem.","2014","38","10","4670","","10.1039/C4NJ00097H","","","","","","0.0545","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7100930","7.3887","0.0002","7.3887","0.0002","13.0436","0.0007","90","","90","","120","","616.69","0.04","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","erbium(iii)-hexacyanocobaltate(iii)","","","- C6 Co Er N6 -","- C6 Co Er N6 -","- C12 Co2 Er2 N12 -","2","0.0833333","","T. Pretsch; K.W. Chapman; C.J. Kepert","Dehydration of the nanoporous coordination framework ErIII[CoIII(CN)6]4H2O: single crystal to single crystal transformation and negative thermal expansion in ErIII[CoIII(CN)6]","Chemical Communications","2006","","","","","10.1039/b601344a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04","" "7100931","7.3863","0.0002","7.3863","0.0002","13.0391","0.0006","90","","90","","120","","616.07","0.04","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","erbium(iii)-hexacyanocobaltate(iii)","","","- C6 Co Er N6 -","- C6 Co Er N6 -","- C12 Co2 Er2 N12 -","2","0.0833333","","T. Pretsch; K.W. Chapman; C.J. Kepert","Dehydration of the nanoporous coordination framework ErIII[CoIII(CN)6]4H2O: single crystal to single crystal transformation and negative thermal expansion in ErIII[CoIII(CN)6]","Chemical Communications","2006","","","","","10.1039/b601344a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04","" "7100932","7.3828","0.0002","7.3828","0.0002","13.0303","0.0006","90","","90","","120","","615.07","0.04","225","2","225","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","erbium(iii)-hexacyanocobaltate(iii)","","","- C6 Co Er N6 -","- C6 Co Er N6 -","- C12 Co2 Er2 N12 -","2","0.0833333","","T. Pretsch; K.W. Chapman; C.J. Kepert","Dehydration of the nanoporous coordination framework ErIII[CoIII(CN)6]4H2O: single crystal to single crystal transformation and negative thermal expansion in ErIII[CoIII(CN)6]","Chemical Communications","2006","","","","","10.1039/b601344a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04","" "7100933","7.3782","0.0002","7.3782","0.0002","13.0222","0.0006","90","","90","","120","","613.93","0.04","300","2","300","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","erbium(iii)-hexacyanocobaltate(iii)","","","- C6 Co Er N6 -","- C6 Co Er N6 -","- C12 Co2 Er2 N12 -","2","0.0833333","","T. Pretsch; K.W. Chapman; C.J. Kepert","Dehydration of the nanoporous coordination framework ErIII[CoIII(CN)6]4H2O: single crystal to single crystal transformation and negative thermal expansion in ErIII[CoIII(CN)6]","Chemical Communications","2006","","","","","10.1039/b601344a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04","" "7100934","7.3719","0.0002","7.3719","0.0002","13.0109","0.0007","90","","90","","120","","612.35","0.04","375","2","375","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","erbium(iii)-hexacyanocobaltate(iii)","","","- C6 Co Er N6 -","- C6 Co Er N6 -","- C12 Co2 Er2 N12 -","2","0.0833333","","T. Pretsch; K.W. Chapman; C.J. Kepert","Dehydration of the nanoporous coordination framework ErIII[CoIII(CN)6]4H2O: single crystal to single crystal transformation and negative thermal expansion in ErIII[CoIII(CN)6]","Chemical Communications","2006","","","","","10.1039/b601344a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04","" "7105889","18.4456","0.0003","18.4456","0.0003","39.5369","0.0007","90","","90","","120","","11649.8","0.3","95","2","95","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","UMCM-150N2","","","- C26 H16 Cu3 N4 O15 -","- C26 H10 Cu3 N4 O15 -","- C156 H60 Cu18 N24 O90 -","6","0.25","","Tae-Hong Park; Katie A. Cychosz; Antek G. Wong-Foy; Anne Dailly; Adam J. Matzger","Gas and Liquid Phase Adsorption in Isostructural Cu3[biaryltricarboxylate]2 Microporous Coordination Polymers","Chem.Commun.","2011","47","","1452","","10.1039/c0cc03482g","","","1.54187","CuKα","","0.1145","0.0786","","","0.2528","0.2868","","","","","","0.99","","","","has coordinates","180162","2020-10-21","18:00:00","" "7105890","18.2056","0.0003","18.2056","0.0003","40.6655","0.0007","90","","90","","120","","11672.6","0.3","95","2","95","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","UMCM-150N1","","","- C28 H16 Cu3 N2 O14 -","- C28 H12 Cu3 N2 O14 -","- C168 H72 Cu18 N12 O84 -","6","0.25","","Tae-Hong Park; Katie A. Cychosz; Antek G. Wong-Foy; Anne Dailly; Adam J. Matzger","Gas and Liquid Phase Adsorption in Isostructural Cu3[biaryltricarboxylate]2 Microporous Coordination Polymers","Chem.Commun.","2011","47","","1452","","10.1039/c0cc03482g","","","1.54187","CuKα","","0.0743","0.0615","","","0.202","0.2108","","","","","","1.101","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00","" "7107464","18.701","0.002","18.701","0.002","49.754","0.005","90","","90","","120","","15069","3","291","2","291","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C32 H22 Cu3 N2 O17 -","- C32 H22 Cu3 N2 O17 -","- C192 H132 Cu18 N12 O102 -","6","0.25","","Jingui Duan; Zhen Yang; Junfeng Bai; Baishu Zheng; Yizhi Li; Shuhua Li","Highly selective CO2 capture of an agw-type metal-organic framework with inserted amides: experimental and theoretical studies","Chem.Commun.","2012","48","","3058","","10.1039/c2cc16231h","","","0.71073","MoKα","","0.0741","0.0501","","","0.0894","0.0936","","","","","","1.086","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00","" "7107923","26.884","0.01","26.884","0.01","18.121","0.01","90","","90","","120","","11342","9","173","2","173","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C8 H5.5 N7 O2.25 Zn -","- C10 H5 N5 O2.25 Zn -","- C240 H120 N120 O54 Zn24 -","24","1","","Jurgen Kahr; Alexandra M. Z. Slawin; John P. S. Mowat; David Fairen-Jimenez; Paul A. Wright","Synthetic control of framework zinc purinate crystallisation and properties of a large pore, decorated, mixed-linker RHO-type ZIF","Chem.Commun.","2012","48","","6690","","10.1039/c2cc32927a","","","1.54178","CuKα","","0.2721","0.2365","","","0.5451","0.5589","","","","","","2.093","","","","has coordinates","180183","2020-10-21","18:00:00","" "7108909","18.2512","0.0008","18.2512","0.0008","34.2802","0.0012","90","","90","","120","","9889.1","0.7","140","2","140","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C29 H18 Cu2 O10 -","- C29 H14 Cu2 O10 -","- C174 H84 Cu12 O60 -","6","0.25","","Xing Duan; Jiancan Yu; Jianfeng Cai; Yabing He; Chuande Wu; Wei Zhou; Taner Yildirim; Zhangjing Zhang; Shengchang Xiang; Michael O'Keeffe; Banglin Chen; Guodong Qian","A microporous metal-organic framework of a rare sty topology for high CH4 storage at room temperature","Chemical communications (Cambridge, England)","2013","49","20","2043","2045","10.1039/c3cc38765h","","","0.71073","MoKα","","0.1067","0.0696","","","0.1712","0.1836","","","","","","1.222","","","","has coordinates,has disorder","180193","2020-10-21","18:00:00","" "7109993","20.1753","0.0004","20.1753","0.0004","25.0329","0.0006","90","","90","","120","","8824.3","0.3","228","2","228","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","MTAF-4","","","- C108 H60 N36 O35 Zn18 -","- C108 H60 N36 O35 Zn18 -","- C108 H60 N36 O35 Zn18 -","1","0.0416667","","Wen-Yang Gao; Rong Cai; Le Meng; Lukasz Wojtas; Wei Zhou; Taner Yildirim; Xiaodong Shi; Shengqian Ma","Quest for a highly connected robust porous metal-organic framework on the basis of a bifunctional linear linker and a rare heptanuclear zinc cluster","Chem.Commun.","2013","49","","10516","","10.1039/c3cc45986a","","","1.54178","CuKα","","0.0812","0.0615","","","0.1832","0.1947","","","","","","1.046","","","","has coordinates,has disorder","180205","2020-10-21","18:00:00","" "7112624","33.7831","0.001","33.7831","0.001","43.456","0.003","90","","90","","120","","42952","3","228","2","228","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","MMPF-9","","","- C80 H40 Cu7 N4 O30 -","- C80 H40 Cu7 N4 O30 -","- C480 H240 Cu42 N24 O180 -","6","0.25","","Wen-Yang Gao; Lukasz Wojtas; Shengqian Ma","A porous metal-metalloporphyrin framework featuring high-density active sites for chemical fixation of CO2 under ambient conditions","Chem.Commun.","2014","50","","5316","","10.1039/C3CC47542E","","","1.54178","CuKα","","0.0654","0.0485","","","0.1301","0.1354","","","","","","1.014","","","","has coordinates","180240","2020-10-21","18:00:00","" "7118491","8.5843","0.0012","8.5843","0.0012","21.69","0.004","90","","90","","120","","1384.2","0.4","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Methyl Ammonium Bismuth iodide","","- C3 H18 Bi2 I9 N3 -","- C2.9998 H17.9994 Bi2 I9 N3 -","- C5.9996 H35.9988 Bi4 I18 N6 -","2","0.0833333","","Eckhardt, Kai; Bon, Volodymyr; Getzschmann, Jürgen; Grothe, Julia; Wisser, Florian M.; Kaskel, Stefan","Crystallographic insights into (CH3NH3)3(Bi2I9): a new lead-free hybrid organic-inorganic material as a potential absorber for photovoltaics.","Chemical communications (Cambridge, England)","2016","52","14","3058","3060","10.1039/c5cc10455f","","","0.71073","MoKα","","0.0945","0.0453","","","0.108","0.125","","","","","","0.865","","","","has coordinates,has disorder","177688","2020-10-21","18:00:00","" "7119681","16.8676","0.0007","16.8676","0.0007","18.8186","0.0006","90","","90","","120","","4636.9","0.3","131.9","0.2","131.9","0.2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C24 H27 Co3 N12 O10 -","- C24 H12 Co3 N12 O10 -","- C48 H24 Co6 N24 O20 -","2","0.0833333","","Di-Ming Chen; Jia-Yue Tian; Chun-Sen Liu; Miao Du","A bracket approach to improve the stability and gas sorption performance of a metal-organic framework via in situ incorporating the size-matching molecular building blocks","Chem. Commun.","2016","52","","8413","","","","","0.71073","MoKα","","0.0484","0.0407","","","0.1459","0.1502","","","","","","1.033","","","","has coordinates,has disorder","192274","2020-10-21","18:00:00","" "7119682","18.8605","0.0004","18.8605","0.0004","16.6183","0.0004","90","","90","","120","","5119.5","0.2","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 Co5 N15 O15 -","- C42 H24 Co5 N15 O15 -","- C84 H48 Co10 N30 O30 -","2","0.0833333","","Di-Ming Chen; Jia-Yue Tian; Chun-Sen Liu; Miao Du","A bracket approach to improve the stability and gas sorption performance of a metal-organic framework via in situ incorporating the size-matching molecular building blocks","Chem. Commun.","2016","52","","8413","","","","x-ray","1.54184","CuKα","","0.0987","0.0968","","","0.2788","0.2881","","","","","","1.106","","","","has coordinates,has disorder","192274","2020-10-21","18:00:00","" "7120275","9.839","0.003","9.839","0.003","6.934","0.004","90","","90","","120","","581.3","0.4","359","2","359","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C4 Br3 Cd O P -","- C4 Br3 Cd O0.99 P -","- C8 Br6 Cd2 O1.98 P2 -","2","0.0833333","","Zheng, Xuan; Zhou, Lin; Shi, Ping-Ping; Geng, Fu-Juan; Fu, Da-Wei; Ye, Qiong","[(CH3)3PCH2OH][CdBr3] Is a Perovskite-type Ferroelastic Compound Above Room Temperature","Chem. Commun.","2017","","","","","10.1039/C7CC01771E","","","0.71073","MoKα","","0.1324","0.1247","","","0.3093","0.3142","","","","","","1.1798","","","","has coordinates","197831","2020-10-21","18:00:00","" "7120457","18.51","0.005","18.51","0.005","30.287","0.008","90","","90","","120","","8987","4","100","2","100","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C7.67 H2.89 Cu Fe0.06 N0.22 O7.18 S0.11 -","- C7.65 H2.88 Cu Fe0.0558333 N0.33 O7.77083 S0.11 -","- C183.6 H69.12 Cu24 Fe1.34 N7.92 O186.5 S2.64 -","24","1","","Chen, Yao; Wojtas, Lukasz; Ma, Shengqian; Zaworotko, Michael; Zhang, Zhenjie","Post-Synthetic Transformation of a Novel Zn(II) Polyhedral Coordination Network into a New Supramolecular Isomer of HKUST-1","Chem. Commun.","2017","","","","","10.1039/C7CC04958G","","","1.54178","CuKα","","0.109","0.0882","","","0.2743","0.3033","","","","","","1.083","","","","has coordinates,has disorder","198766","2020-10-21","18:00:00","" "7121211","18.5324","0.001","18.5324","0.001","40.25","0.004","90","","90","","120","","11971.8","1.5","153","2","153","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","SNNU-65-Ga-Cu","","- C90 H51 Cu6 Ga3 N0 O46 -","- C90 H51 Cu6 Ga3 O46 -","- C180 H102 Cu12 Ga6 O92 -","2","0.0833333","","Zhang, Jian-Wei; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Qu, Peng; Zhai, Quan-Guo","Assembly of [Cu2(COO)4] and [M33-O)(COO)6] (M = Sc, Fe, Ga, and In) building blocks into porous frameworks towards ultra-high C2H2/CO2 and C2H2/CH4 separation performance.","Chemical communications (Cambridge, England)","2018","54","16","2012","2015","10.1039/c7cc09484a","","","0.71073","MoKα","","0.0992","0.0882","","","0.1959","0.2029","","","","","","1.147","","","","has coordinates","228284","2020-10-21","18:00:00","" "7121337","21.8599","0.0003","21.8599","0.0003","30.9566","0.0002","90","","90","","120","","12810.9","0.3","200","0.1","200","0.1","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C15 H14 Cu In0.5 N3 O6.67 -","- C15 H14 Cu In0.5 N3 O6.66667 -","- C180 H168 Cu12 In6 N36 O80 -","12","0.5","","Zhou, Mi; Ju, Zhanfeng; Yuan, Daqiang","A new metal-organic framework constructed from cationic nodes and cationic linkers for highly efficient anion exchange","Chemical Communications","2018","","","","","10.1039/C8CC01225C","","","1.54184","CuKα","","0.1016","0.0758","","","0.2052","0.2486","","","","","","1.052","","","","has coordinates","206679","2020-10-21","18:00:00","" "7121341","22.8847","0.0005","22.8847","0.0005","30.1026","0.0006","90","","90","","120","","13652.9","0.5","293","2","293","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C15 H14 Cu In0.5 N3 O6.67 -","- C15 H14 Cu In0.5 N3 O6.66667 -","- C180 H168 Cu12 In6 N36 O80 -","12","0.5","","Zhou, Mi; Ju, Zhanfeng; Yuan, Daqiang","A new metal-organic framework constructed from cationic nodes and cationic linkers for highly efficient anion exchange","Chemical Communications","2018","","","","","10.1039/C8CC01225C","","","1.54184","CuKα","","0.0712","0.0604","","","0.178","0.1948","","","","","","1.037","","","","has coordinates","206679","2020-10-21","18:00:00","" "7121583","25.2076","0.0004","25.2076","0.0004","15.3459","0.0003","90","","90","","120","","8444.7","0.3","250","0.1","250","0.1","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C102 H102 Ag12 F18 N8 O12 S6 -","- C102 H102 Ag12 F18 N8 O12 S6 -","- C204 H204 Ag24 F36 N16 O24 S12 -","2","0.0833333","","Zang, Shuang-Quan; Du, Xiang-Sha; Yan, Bing-Jie; Wang, Jia-Yin; Xi, Xiao-Juan; Wang, Zhao-Yang","Layer-sliding-driven crystal size and photoluminescence change in a novel SCC-MOF","Chemical Communications","2018","","","","","10.1039/C8CC01559G","","x-ray","1.54184","CuKα","","0.0886","0.0798","","","0.208","0.2124","","","","","","1.129","","","","has coordinates,has disorder","207590","2020-10-21","18:00:00","" "7122117","16.9671","0.0005","16.9671","0.0005","15.3079","0.001","90","","90","","120","","3816.5","0.3","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C44 H18 Mg3 N4 O19 -","- C44.01 H18 Mg3 N3.99 O19 -","- C88.02 H36 Mg6 N7.98 O38 -","2","0.0833333","","Li, Yong-Peng; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng; Zhai, Quan-Guo","A semiconductor and fluorescence dual-mode room-temperature ammonia sensor achieved by decorating hydroquinone into a metal-organic framework.","Chemical communications (Cambridge, England)","2018","54","70","9789","9792","10.1039/c8cc05459b","","","0.71073","MoKα","","0.0586","0.0438","","","0.1099","0.1147","","","","","","1.053","","","","has coordinates","228017","2020-10-21","18:00:00","" "7123330","14.669","0.0004","14.669","0.0004","26.8478","0.0019","90","","90","","120","","5003.1","0.4","293","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C24 H12 O16 Zr3 -","- C24 H12 O16 Zr3 -","- C96 H48 O64 Zr12 -","4","0.166667","","Perfecto-Irigaray, Maite; Beobide, Garikoitz; Castillo, Oscar; da Silva, Ivan; García-Lojo, Daniel; Luque, Antonio; Mendia, Ander; Perez-Yañez, Sonia","[Zr6O4(OH)4(benzene-1,4-dicarboxylato)6]n: a hexagonal polymorph of UiO-66","Chemical Communications","2019","","","","","10.1039/C9CC00802K","powder diffraction","","0.82448","synchrotron","","3.41066","","","","","","","","4.17391","","","","","","","has coordinates","214769","2020-10-21","18:00:00","" "7123922","10.6336","0.0007","10.6336","0.0007","8.1342","0.0005","90","","90","","120","","796.54","0.09","483","2","483","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C7 H9 I3 N2 Pb -","- C6.4998 H7.4994 I3 N2 Pb -","- C12.9996 H14.9988 I6 N4 Pb2 -","2","0.0833333","","Liu, Yu-Ling; Lu, Si-Qi; Tang, Yuan-Yuan; Chen, Xiao-Gang; Gao, Ji-Xing; Li, Hao-Jie; Xiong, Ren-Gen","Fluorination observed Tc increase of 110 K is challenging hydrogen-deuterium isotope effect","Chemical Communications","2019","","","","","10.1039/C9CC04658E","","","0.71073","MoKα","","0.069","0.0406","","","0.1292","0.1464","","","","","","1.064","","","","has coordinates,has disorder","217290","2020-10-21","18:00:00","" "7124079","6.672572","0.000019","6.672572","","9.18014","0.000033","90","","90","","120","","353.97","0.0016","293","","293","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","claringbullite","","- Cl Cu4 F H6 O6 -","- Cl Cu3.99999 F H6 O6 -","- Cl2 Cu7.99998 F2 H12 O12 -","2","0.0833333","","Henderson, Alyssa May; Dong, Lianyang; Biswas, Sananda; Revell, Hannah; Xin, Yan; Valenti, Roser; Schlueter, John A.; Siegrist, Theo","Order-Disorder Transition in the S = ½ Kagome Antiferromagnets Claringbullite and Barlowite","Chemical Communications","2019","","","","","10.1039/C9CC04930D","powder diffraction","x-ray","0.414545","synchrotron","","","","","","","","0.09438","","1.65","","","","","","","has coordinates","217847","2020-10-21","18:00:00","" "7124080","6.675463","0.000015","6.675463","","9.2989","0.000023","90","","90","","120","","358.86","0.0012","293","","293","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- Br Cu4 F H6 O6 -","- Br Cu3.99999 F H6 O6 -","- Br2 Cu7.99998 F2 H12 O12 -","2","0.0833333","","Henderson, Alyssa May; Dong, Lianyang; Biswas, Sananda; Revell, Hannah; Xin, Yan; Valenti, Roser; Schlueter, John A.; Siegrist, Theo","Order-Disorder Transition in the S = ½ Kagome Antiferromagnets Claringbullite and Barlowite","Chemical Communications","2019","","","","","10.1039/C9CC04930D","powder diffraction","x-ray","0.414545","synchrotron","","","","","","","","0.10554","","1.8","","","","","","","has coordinates","217847","2020-10-21","18:00:00","" "7124955","18.5185","0.0005","18.5185","0.0005","19.1215","0.0011","90","","90","","120","","5678.9","0.4","173","2","173","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C18 H12 Cu2 N0 O10 Si -","- C18 H12 Cu2 O10 Si -","- C108 H72 Cu12 O60 Si6 -","6","0.25","","Gao, Chao-Ying; Tian, Hong-Rui; Ai, Jing; Li, Lei-Jiao; Dang, Song; Lan, Ya-Qian; Sun, Zhong-Ming","A microporous Cu-MOF with optimized open metal sites and pore spaces for high gas storage and active chemical fixation of CO2.","Chemical communications (Cambridge, England)","2016","52","74","11147","11150","10.1039/c6cc05845k","","","0.71073","MoKα","","0.0561","0.0419","","","0.1199","0.1278","","","","","","0.996","","","","has coordinates","234381","2020-10-21","18:00:00","" "7132531","21.656","0.0004","21.656","0.0004","7.6612","0.0002","90","","90","","120","","3111.6","0.11","100","0.17","100","0.17","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C20 H8 N6 Se2 Te -","- C20 H8 N6 Se2.0001 Te0.9999 -","- C40 H16 N12 Se4.0002 Te1.9998 -","2","0.0833333","","Eckstein, Brian J.; Martin, Hannah R.; Moghadasnia, Michael P.; Halder, Arijit; Melville, Michael J.; Buzinski, Tara N.; Balaich, Gary J.; McGuirk, C. Michael","Influence of donor point modifications on the assembly of chalcogen-bonded organic frameworks.","Chemical communications (Cambridge, England)","2024","60","6","758","761","10.1039/d3cc05162e","","x-ray","1.54184","CuKα","","0.0795","0.0794","","","0.178","0.1781","","","","","","1.1","","","","has coordinates,has disorder","289355","2024-02-04","11:12:29","" "7132533","21.529","0.003","21.529","0.003","7.653","0.0006","90","","90","","120","","3071.9","0.7","100.1","0.3","100.1","0.3","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C20 H8 N6 Se2 Te -","- C20 H8 N6 Se2.0001 Te0.9999 -","- C40 H16 N12 Se4.0002 Te1.9998 -","2","0.0833333","","Eckstein, Brian J.; Martin, Hannah R.; Moghadasnia, Michael P.; Halder, Arijit; Melville, Michael J.; Buzinski, Tara N.; Balaich, Gary J.; McGuirk, C. Michael","Influence of donor point modifications on the assembly of chalcogen-bonded organic frameworks.","Chemical communications (Cambridge, England)","2024","60","6","758","761","10.1039/d3cc05162e","","x-ray","1.54184","CuKα","","0.0913","0.0844","","","0.2314","0.2377","","","","","","1.112","","","","has coordinates,has disorder","289355","2024-02-04","11:12:29","" "7204338","5.9096","0.0002","5.90965","","14.6101","0.0003","90","","90","","120","","441.879","0.017","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba3 Gd O9 Ru2 -","- Ba3 Gd O9 Ru2 -","- Ba6 Gd2 O18 Ru4 -","2","0.0833333","","Doi, Yoshihiro; Hinatsu, Yukio","Magnetic and calorimetric studies on Ba3LnRu2O9 (Ln = Gd, Ho–Yb) with 6H-perovskite structure","Journal of Materials Chemistry","2002","12","6","1792","","10.1039/b111504a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","288318","2023-12-14","17:14:09","" "7204339","5.8763","0.0002","5.87635","","14.4794","0.0004","90","","90","","120","","433.005","0.019","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba3 Er O9 Ru2 -","- Ba3 Er O9 Ru2 -","- Ba6 Er2 O18 Ru4 -","2","0.0833333","","Doi, Yoshihiro; Hinatsu, Yukio","Magnetic and calorimetric studies on Ba3LnRu2O9 (Ln = Gd, Ho–Yb) with 6H-perovskite structure","Journal of Materials Chemistry","2002","12","6","1792","","10.1039/b111504a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","288318","2023-12-14","17:14:09","" "7204340","5.8838","0.0002","5.8838","","14.5064","0.0005","90","","90","","120","","434.92","0.02","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba3 Ho O9 Ru2 -","- Ba3 Ho O9 Ru2 -","- Ba6 Ho2 O18 Ru4 -","2","0.0833333","","Doi, Yoshihiro; Hinatsu, Yukio","Magnetic and calorimetric studies on Ba3LnRu2O9 (Ln = Gd, Ho–Yb) with 6H-perovskite structure","Journal of Materials Chemistry","2002","12","6","1792","","10.1039/b111504a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","288318","2023-12-14","17:14:09","" "7204341","5.8686","0.0002","5.86862","","14.4537","0.0004","90","","90","","120","","431.102","0.019","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba3 O9 Ru2 Tm -","- Ba3 O9 Ru2 Tm -","- Ba6 O18 Ru4 Tm2 -","2","0.0833333","","Doi, Yoshihiro; Hinatsu, Yukio","Magnetic and calorimetric studies on Ba3LnRu2O9 (Ln = Gd, Ho–Yb) with 6H-perovskite structure","Journal of Materials Chemistry","2002","12","6","1792","","10.1039/b111504a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","288318","2023-12-14","17:14:09","" "7204342","5.8616","0.0002","5.86161","","14.4321","0.0004","90","","90","","120","","429.431","0.019","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba3 O9 Ru2 Yb -","- Ba3 O9 Ru2 Yb -","- Ba6 O18 Ru4 Yb2 -","2","0.0833333","","Doi, Yoshihiro; Hinatsu, Yukio","Magnetic and calorimetric studies on Ba3LnRu2O9 (Ln = Gd, Ho–Yb) with 6H-perovskite structure","Journal of Materials Chemistry","2002","12","6","1792","","10.1039/b111504a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","288318","2023-12-14","17:14:09","" "7204540","3.4762","0.0007","3.4762","0.0007","15.342","0.002","90","","90","","120","","160.55","0.05","150","2","150","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","sodium niobium diselenide","","","- Na0.5 Nb Se2 -","- Na0.498 Nb Se2 -","- Na0.996 Nb2 Se4 -","2","0.0833333","","Salyer, Pamela A.; Barker, Marten G.; Blake, Alexander J.; Gregory, Duncan H.; Weston, David P.; Wilson, Claire","New metathesis routes to layered dichalcogenides: synthesis, crystal growth and structure of NayNbX2 (y = 0.5, X = S, Se)","Journal of Materials Chemistry","2003","13","2","175","","10.1039/b209828h","","","0.71069","MoKα","","0.023","0.0191","","","0.0474","0.0487","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204541","3.3533","0.0004","3.3533","0.0004","14.547","0.003","90","","90","","120","","141.66","0.04","150","2","150","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","sodium niobium disulfide","","","- Na0.51 Nb S2 -","- Na0.5 Nb S2 -","- Na Nb2 S4 -","2","0.0833333","","Salyer, Pamela A.; Barker, Marten G.; Blake, Alexander J.; Gregory, Duncan H.; Weston, David P.; Wilson, Claire","New metathesis routes to layered dichalcogenides: synthesis, crystal growth and structure of NayNbX2 (y = 0.5, X = S, Se)","Journal of Materials Chemistry","2003","13","2","175","","10.1039/b209828h","","","0.71069","MoKα","","0.0206","0.0191","","","0.0639","0.065","","","","","","0.983","","","","has coordinates","180376","2020-10-21","18:00:00","" "7207180","15.8708","0.0006","15.8708","0.0006","24.2726","0.0016","90","","90","","120","","5294.7","0.4","293","2","293","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C80 H64 K6 N2 O39 Pb6 -","- C80 H59.94 K6 N2 O39 Pb6 -","- C160 H119.88 K12 N4 O78 Pb12 -","2","0.0833333","","Li, Xian-Qiang; Zhang, Hua-Bin; Wu, Shu-Ting; Lin, Jian-Di; Lin, Ping; Li, Zhi-Hua; Du, Shao-Wu","Synthesis, structures and luminescent properties of new Pb(ii)/M(i) (M = K, Rb and Cs) frameworks based on dicarboxylic acids: a novel icosahedral Pb6-M6 SBU","CrystEngComm","2012","14","3","936","","10.1039/c1ce06111a","","","0.71073","MoKα","","0.0381","0.0366","","","0.1102","0.1115","","","","","","1.053","","","","has coordinates","180402","2020-10-21","18:00:00","" "7207181","16.0334","0.0001","16.0334","0.0001","24.3028","0.001","90","","90","","120","","5410.5","0.2","293","2","293","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C80 H64 N2 O39 Pb6 Rb6 -","- C80 H59.94 N2 O39 Pb6 Rb6 -","- C160 H119.88 N4 O78 Pb12 Rb12 -","2","0.0833333","","Li, Xian-Qiang; Zhang, Hua-Bin; Wu, Shu-Ting; Lin, Jian-Di; Lin, Ping; Li, Zhi-Hua; Du, Shao-Wu","Synthesis, structures and luminescent properties of new Pb(ii)/M(i) (M = K, Rb and Cs) frameworks based on dicarboxylic acids: a novel icosahedral Pb6-M6 SBU","CrystEngComm","2012","14","3","936","","10.1039/c1ce06111a","","","0.71073","MoKα","","0.0493","0.0476","","","0.1536","0.1543","","","","","","1.082","","","","has coordinates","180402","2020-10-21","18:00:00","" "7207182","16.231","0.003","16.231","0.003","24.466","0.005","90","","90","","120","","5581.9","1.9","293","2","293","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C80 H64 Cs6 N2 O39 Pb6 -","- C80 H59.94 Cs6 N2 O38.99 Pb6 -","- C160 H119.88 Cs12 N4 O77.98 Pb12 -","2","0.0833333","","Li, Xian-Qiang; Zhang, Hua-Bin; Wu, Shu-Ting; Lin, Jian-Di; Lin, Ping; Li, Zhi-Hua; Du, Shao-Wu","Synthesis, structures and luminescent properties of new Pb(ii)/M(i) (M = K, Rb and Cs) frameworks based on dicarboxylic acids: a novel icosahedral Pb6-M6 SBU","CrystEngComm","2012","14","3","936","","10.1039/c1ce06111a","","","0.71073","MoKα","","0.0622","0.0615","","","0.2397","0.2407","","","","","","1.014","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00","" "7208132","2.91081","","2.91081","","10.55029","","90","","90","","120","","77.415","","298","","298","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Potassium Lanthanum Titanate","","- Mg Mo N2 -","- Mg Mo N2 -","- Mg2 Mo2 N4 -","2","0.0833333","","Wang, Liangbiao; Tang, Kaibin; Zhu, Yongchun; Li, Qianwen; Zhu, Baichuan; Wang, LianCheng; Si, Lulu; Qian, Yitai","Solid state synthesis of a new ternary nitride MgMoN2 nanosheets and micromeshes","Journal of Materials Chemistry","2012","22","29","14559","","10.1039/c2jm30844d","powder diffraction","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","180412","2020-10-21","18:00:00","" "7209302","5.8466","","5.8466","","9.4683","","90","","90","","120","","280.291","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Yb Ag Cd","","- Ag Cd Yb -","- Ag Cd Yb -","- Ag4 Cd4 Yb4 -","4","0.166667","","Fickenscher, T.; Kotzyba, G.; Hoffmann, R.D.; Poettgen, R.","Synthesis, structure, and magnetic properties of Eu Ag Cd and Yb Ag Cd","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","598","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7209304","4.613","","4.613","","8.896","","90","","90","","120","","163.943","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ba Ag As","","- Ag As Ba -","- Ag As Ba -","- Ag2 As2 Ba2 -","2","0.0833333","","Mewis, A.","Darstellung und Struktur der Verbindungen Mg Cu P, Ba Cu P (As) und Ba Ag P (As)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1979","34","","1373","1376","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7209306","4.516","","4.516","","8.107","","90","","90","","120","","143.185","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Eu Ag As","","- Ag As Eu -","- Ag As Eu -","- Ag2 As2 Eu2 -","2","0.0833333","","Schuster, H.U.; Tomuschat, C.","A B X - Verbindungen mit modifizierter Ni2 In Struktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1981","36","","1193","1194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7209311","4.529","","4.529","","8.291","","90","","90","","120","","147.279","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Sr Ag As","","- Ag As Sr -","- Ag As Sr -","- Ag2 As2 Sr2 -","2","0.0833333","","Mewis, A.","ABX Verbindungen mit Ni2 In-Struktur. Darstellung und Struktur der Verbindungen Ca Cu P (As), Sr Cu P (As), Sr Ag P (As) und Eu Cu As","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1978","33","","983","986","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7209317","4.496","","4.496","","8.828","","90","","90","","120","","154.542","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ba Ag P","","- Ag Ba P -","- Ag Ba P -","- Ag2 Ba2 P2 -","2","0.0833333","","Mewis, A.","Darstellung und Struktur der Verbindungen Mg Cu P, Ba Cu P (As) und Ba Ag P (As)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1979","34","","1373","1376","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7209318","4.877","","4.877","","8.139","","90","","90","","120","","167.651","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ag Eu Bi","","- Ag Bi Eu -","- Ag Bi Eu -","- Ag2 Bi2 Eu2 -","2","0.0833333","","Schuster, H.U.; Tomuschat, C.","ABX - Verbindungen mit modifizierter Ni2In Struktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1981","36","","1193","1194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7209335","4.395","","4.395","","8.057","","90","","90","","120","","134.779","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ag Eu P -","- Ag Eu P -","- Ag2 Eu2 P2 -","2","0.0833333","","Schuster, H.U.; Tomuschat, C.","A B X-Verbindungen mit modifizierter Ni2 In-Struktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1981","26","","1193","1194","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "7209336","4.755","","4.755","","8.283","","90","","90","","120","","162.188","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ag Eu Sb -","- Ag Eu Sb -","- Ag2 Eu2 Sb2 -","2","0.0833333","","Schuster, H.U.; Tomuschat, C.","A B X-Verbindungen mit modifizierter Ni2 In-Struktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1981","26","","1193","1194","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "7209350","4.409","","4.409","","8.23","","90","","90","","120","","138.551","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ag Sr P","","- Ag P Sr -","- Ag P Sr -","- Ag2 P2 Sr2 -","2","0.0833333","","Mewis, A.","ABX-Verbindungen mit Ni2In-Struktur. Darstellung und Struktur der Verbindungen Ca Cu P (As), Sr Cu P (As), Sr Ag P (As), und Eu Cu As","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1978","33","","983","986","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7209355","13.759","","13.759","","15.356","","90","","90","","120","","2517.57","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ag10.003 Te3.993 Br2.646 I0.354","","- Ag10.003 Br2.646 I0.354 Te3.993 -","- Ag10.0073 Br2.64 I0.36 Te3.99333 -","- Ag60.044 Br15.84 I2.16 Te23.96 -","6","0.25","","Nilges, T.; Lange, S.; Bawohl, M.","Ag10 Te4 Br(3-x) Cl(x) and Ag10 Te4 Br(3-y) I(y): structural and electrical property tuning of a mixed conductor by partial anion substitution","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2007","62","","955","964","","","","","","","","","","","","","","","","","","","","","","has coordinates","180424","2020-10-21","18:00:00","" "7209356","13.722","","13.722","","15.305","","90","","90","","120","","2495.74","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ag10.078 Te3.6 Se0.4 Br3","","- Ag10.078 Br3 Se0.4 Te3.6 -","- Ag10.1033 Br3 Se0.4 Te3.6 -","- Ag60.62 Br18 Se2.4 Te21.6 -","6","0.25","","Nilges, T.; Bawohl, M.","Structures and thermal properties of silver(I) (poly)chalcogenide halide solid solutions Ag10 Te(4-(q,p)) Q(q,p) Br3 with Q = S, Se","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2008","63","","629","636","","","","","","","","","","","","","","","","","","","","","","has coordinates","180424","2020-10-21","18:00:00","" "7209386","4.313","","4.313","","8.258","","90","","90","","120","","133.035","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Eu (Au P)","","- Au Eu P -","- Au Eu P -","- Au2 Eu2 P2 -","2","0.0833333","","Schuster, H.U.; Tomuschat, C.","A B X-Verbindungen mit modifizierter Ni2 In-Struktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1981","36","","1193","1194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7209387","4.669","","4.669","","8.486","","90","","90","","120","","160.207","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Eu (Au Sb)","","- Au Eu Sb -","- Au Eu Sb -","- Au2 Eu2 Sb2 -","2","0.0833333","","Schuster, H.U.; Tomuschat, C.","A B X-Verbindungen mit modifizierter Ni2 In-Struktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1981","36","","1193","1194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7209391","4.6708","","4.6708","","6.037","","90","","90","","120","","114.06","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Li Au Sn","","- Au Li Sn -","- Au Li Sn -","- Au2 Li2 Sn2 -","2","0.0833333","","Wu Zhi-Yun; Johrendt, D.; Poettgen, R.; Hoffmann, R.D.","The stannides Li Au Sn and Li Au3 Sn4 - syntheses, structure and chemical bonding","Journal of Materials Chemistry","2002","12","","676","680","10.1039/b109381a","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7211905","12.12","0.0017","12.12","0.0017","22.053","0.004","90","","90","","120","","2805.5","0.8","293","2","293","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C12 H54 Cl Co2 N12 O38 V15 -","- C12 Cl Co2 N12 O38 V15 -","- C24 Cl2 Co4 N24 O76 V30 -","2","0.0833333","","Yi, Zhihui; Yu, Xiaoyang; Xia, Wujiong; Zhao, Liyan; Yang, Chao; Chen, Qian; Wang, XiaoLin; Xu, Xianzhu; Zhang, Xiao","Influence of the steric hindrance of organic amines on the supramolecular network based on polyoxovanadates","CrystEngComm","2010","12","1","242","","10.1039/b916793p","","","0.71073","MoKα","","0.0877","0.0788","","","0.23","0.2403","","","","","","1.055","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00","" "7214530","18.961","0.004","18.961","0.004","50.901","0.01","90","","90","","120","","15848","6","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C34 H14 Cu3 O15 -","- C34 H14 Cu3 O15 -","- C204 H84 Cu18 O90 -","6","0.25","","Lu, Zhiyong; Du, Liting; Zheng, Baishu; Bai, Junfeng; Zhang, Mingxing; Yun, Ruirui","A highly porous agw-type metal‒organic framework and its CO2 and H2 adsorption capacity","CrystEngComm","2013","15","45","9348","","10.1039/c3ce41119b","","","0.71073","MoKα","","0.17","0.1023","","","0.34","0.3758","","","","","","1.166","","","","has coordinates","176453","2020-10-21","18:00:00","" "7215899","26.674","0.002","26.674","0.002","18.4694","0.002","90","","90","","120","","11380.5","1.7","100","2","100","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C10 H7 Co N5 O2 -","- C10 H7 Co N5 O2 -","- C240 H168 Co24 N120 O48 -","24","1","","Panda, Tamas; Gupta, Krishna M.; Jiang, Jianwen; Banerjee, Rahul","Enhancement of CO2 uptake in iso-reticular Co based zeolitic imidazolate frameworks via metal replacement","CrystEngComm","2014","16","22","4677","","10.1039/c3ce42075b","","","0.71073","MoKα","","0.163","0.0992","","","0.2938","0.33","","","","","","0.884","","","","has coordinates","180489","2020-10-21","18:00:00","" "7215900","26.113","0.002","26.113","0.002","19.6459","0.0014","90","","90","","120","","11601.6","1.5","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C10 H5 Cl2 Co N5 O2 -","- C10 H5 Cl2 Co N5 O2 -","- C240 H120 Cl48 Co24 N120 O48 -","24","1","","Panda, Tamas; Gupta, Krishna M.; Jiang, Jianwen; Banerjee, Rahul","Enhancement of CO2 uptake in iso-reticular Co based zeolitic imidazolate frameworks via metal replacement","CrystEngComm","2014","16","22","4677","","10.1039/c3ce42075b","","","0.71073","MoKα","","0.1765","0.0997","","","0.2862","0.334","","","","","","0.979","","","","has coordinates","180490","2020-10-21","18:00:00","" "7215901","25.9949","0.0012","25.9949","0.0012","19.7757","0.0011","90","","90","","120","","11572.8","1","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C10 H5 Br2 Co N5 O2 -","- C10 H5 Br2 Co N5 O2 -","- C240 H120 Br48 Co24 N120 O48 -","24","1","","Panda, Tamas; Gupta, Krishna M.; Jiang, Jianwen; Banerjee, Rahul","Enhancement of CO2 uptake in iso-reticular Co based zeolitic imidazolate frameworks via metal replacement","CrystEngComm","2014","16","22","4677","","10.1039/c3ce42075b","","","0.71073","MoKα","","0.1975","0.0995","","","0.2545","0.3115","","","","","","0.702","","","","has coordinates","180490","2020-10-21","18:00:00","" "7220510","20.9247","0.0095","20.9247","0.0095","6.4","","90","","90","","120","","2426.8","1.6","298","","298","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H45 Cu3 N9 O5 -","- C33 H21 Cu3 N6 O4 -","- C66 H42 Cu6 N12 O8 -","2","0.0833333","","Tăbăcaru, Aurel; Galli, Simona; Pettinari, Claudio; Masciocchi, Norberto; McDonald, Thomas M.; Long, Jeffrey R.","Nickel(ii) and copper(i,ii)-based metal-organic frameworks incorporating an extended tris-pyrazolate linker","CrystEngComm","2015","17","27","4992","","10.1039/C5CE00561B","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","143422","2020-10-21","18:00:00","" "7221077","5.73116","","5.73116","","13.99109","","90","","90","","120","","397.985","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ba Ti O2.916","","- Ba O2.916 Ti -","- Ba O2.916 Ti -","- Ba6 O17.496 Ti6 -","6","0.25","","Sinclair, D.C.; Skakle, J.M.S.; Morrison, F.D.; Beales, T.P.; Smith, R.I.","Structure and electrical properties of oxygen-deficient hexagonal Ba Ti O3","Journal of Materials Chemistry","1999","9","","1327","1331","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221078","5.73658","","5.73658","","14.01046","","90","","90","","120","","399.291","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ba Ti O2.88","","- Ba O2.88 Ti -","- Ba O2.879 Ti -","- Ba6 O17.274 Ti6 -","6","0.25","","Sinclair, D.C.; Skakle, J.M.S.; Beales, T.P.; Morrison, F.D.; Smith, R.I.","Structure and electrical properties of oxygen-deficient hexagonal Ba Ti O3","Journal of Materials Chemistry","1999","9","","1327","1331","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221177","4.506","","4.506","","9.976","","90","","90","","120","","175.416","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","K Hg As","","- As Hg K -","- As Hg K -","- As2 Hg2 K2 -","2","0.0833333","","Vogel, R.; Schuster, H.U.","K Hg As (Sb) und K Zn As - Ternaere Verbindungen mit modifizierter Ni2 In-Struktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1980","35","","114","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221178","4.23","","4.23","","10.234","","90","","90","","120","","158.583","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","K Zn As","","- As K Zn -","- As K Zn -","- As2 K2 Zn2 -","2","0.0833333","","Vogel, R.; Schuster, H.U.","K Hg As (Sb) und K Zn As - Ternaere Verbindungen mit modifizierter Ni2 In-Struktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1980","35","","114","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221227","4.99","","4.99","","10.111","","90","","90","","120","","218.035","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Cd Na2 Sn -","- Cd Na2 Sn -","- Cd2 Na4 Sn2 -","2","0.0833333","","Matthes, R.; Schuster, H.U.","Ternaere Natriumphasen mit Cadmium bzw. Quecksilber und Zinn bzw. Blei","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1980","35","","778","780","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "7221241","3.04","","3.04","","11.459","","90","","90","","120","","91.712","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cu3 Ti O4","","- Cu3 O4 Ti -","- Cu3 O4 Ti -","- Cu3 O4 Ti -","1","0.0416667","","Range, K.J.; Ketterl, F.","Darstellung und Kristallstruktur von alpha- und beta- Cu3 Ti O4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","1356","1357","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221253","3.82","","3.82","","8.948","","90","","90","","120","","113.079","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Na Be As","","- As Be Na -","- As Be Na -","- As2 Be2 Na2 -","2","0.0833333","","Tiburtius, C.; Schuster, H.U.","Na Be As (Sb) - ternaere Phasen im 'aufgefuellten' Ni As (Ni2 In)-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","1133","1138","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221254","4.144","","4.144","","9.32","","90","","90","","120","","138.607","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Na Be Sb","","- Be Na Sb -","- Be Na Sb -","- Be2 Na2 Sb2 -","2","0.0833333","","Tiburtius, C.; Schuster, H.U.","Na Be As (Sb) - ternaere Phasen im 'aufgefuellten' Ni As (Ni2 In)-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","1133","1138","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221279","5.8894","","5.8894","","14.6476","","90","","90","","120","","439.986","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba3 Ce Ru2 O9","","- Ba3 Ce O9 Ru2 -","- Ba3 Ce O9 Ru2 -","- Ba6 Ce2 O18 Ru4 -","2","0.0833333","","Doi, Y.; Wakeshima, M.; Tobo, A.; Hinatsu, Y.; Ohoyama, K.; Yamaguchi, Y.","Crystal structures and magnetic properties of the 6H-perovskites Ba3 Ln Ru2 O9 (Ln = Ce, Pr and Tb)","Journal of Materials Chemistry","2001","11","","3135","3140","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221280","5.8855","","5.8855","","14.6071","","90","","90","","120","","438.189","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba3 Pr Ru2 O9","","- Ba3 O9 Pr Ru2 -","- Ba3 O9 Pr Ru2 -","- Ba6 O18 Pr2 Ru4 -","2","0.0833333","","Doi, Y.; Wakeshima, M.; Yamaguchi, Y.; Hinatsu, Y.; Tobo, A.; Ohoyama, K.","Crystal structures and magnetic properties of the 6H-perovskites Ba3 Ln Ru2 O9 (Ln= Ce, Pr and Tb)","Journal of Materials Chemistry","2001","11","","3135","3140","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221324","3.072","","3.072","","18.73","","90","","90","","120","","153.077","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ti3 Al C2","","- C2 Al Ti3 -","- C2 Al Ti3 -","- C4 Al2 Ti6 -","2","0.0833333","","Zhou, Y.C.; Wang, X.H.; Chen, S.Q.; Sun, Z.M.","Electronic and structural properties of the layered ternary carbide Ti3 Al C2","Journal of Materials Chemistry","2001","11","","2335","2339","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221338","4.2224","","4.2224","","6.87","","90","","90","","120","","106.073","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Be2 Fe -","- Be2 Fe -","- Be8 Fe4 -","4","0.166667","","Costa, M.M.R.; de Almeida, M.J.M.; Paixao, J.A.","Weak reflections in the Laves phase Fe Be2","Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik","1993","48","","47","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "7221351","6.756","","6.756","","5.798","","90","","90","","120","","229.186","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ba (Ti S3)","","- Ba S3 Ti -","- Ba S3 Ti -","- Ba2 S6 Ti2 -","2","0.0833333","","Huster, J.","Die Kristallstruktur von Ba Ti S3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1980","35","","775","775","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221372","4.18","","4.18","","9.54","","90","","90","","120","","144.355","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","K Cu Se","","- Cu K Se -","- Cu K Se -","- Cu2 K2 Se2 -","2","0.0833333","","Savelsberg, G.; Schaefer, H.","Ternaere Pnictide und Chalkogenide von Alkalimetallen und IB-bzw. IIB-Elementen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1978","33","","370","377","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221373","4.46","","4.46","","9.95","","90","","90","","120","","171.405","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","K Cu Te","","- Cu K Te -","- Cu K Te -","- Cu2 K2 Te2 -","2","0.0833333","","Savelsberg, G.; Schaefer, H.","Ternaere Pnictide und Chalkogenide von Alkalimetallen und IB-bzw. IIB-Elementen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1978","33","","370","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221374","4.09","","4.09","","10.14","","90","","90","","120","","146.898","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","K Zn P","","- K P Zn -","- K P Zn -","- K2 P2 Zn2 -","2","0.0833333","","Savelsberg, G.; Schaefer, H.","Ternaere Pnictide und Chalkogenide von Alkalimetallen und IB-bzw. IIB-Elementen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1978","33","","370","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221375","4.54","","4.54","","10.5","","90","","90","","120","","187.427","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","K Zn Sb","","- K Sb Zn -","- K Sb Zn -","- K2 Sb2 Zn2 -","2","0.0833333","","Savelsberg, G.; Schaefer, H.","Ternaere Pnictide und Chalkogenide von Alkalimetallen und IB-bzw. IIB-Elementen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1978","33","","370","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221378","7.393","","7.393","","11.999","","90","","90","","120","","567.959","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ba Na2 -","- Ba Na2 -","- Ba4 Na8 -","4","0.166667","","Snyder, G.J.; Simon, A.","The new Laves phase Na2 Ba","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1994","49","","189","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "7221408","5.767","","5.767","","14.1998","","90","","90","","120","","408.99","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba3 (Fe1.99 Te1.01) O9","","- Ba3 Fe1.99 O9 Te1.01 -","- Ba3 Fe1.99 O9 Te1.01 -","- Ba6 Fe3.98 O18 Te2.02 -","2","0.0833333","","Augsburger, M.S.; Viola, M.C.; Pedregosa, J.C.; Carbonio, R.E.; Alonso, J.A.","Crystal structure and magnetism of the double perovskites Sr3 Fe2 Te O9 and Ba3 Fe2 Te O9: a neutron diffraction study","Journal of Materials Chemistry","2006","16","","4235","4242","","","","","","","","","","","","","","","","","","","","","","has coordinates","150363","2020-10-21","18:00:00","" "7221468","4.71","","4.71","","20.04","","90","","90","","120","","385.008","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba2 Mn2 Sb2 O","","- Ba2 Mn2 O Sb2 -","- Ba2 Mn2 O Sb2 -","- Ba4 Mn4 O2 Sb4 -","2","0.0833333","","Brechtel, E.; Cordier, G.; Schaefer, H.","Ueber Oxidpnictide: Zur Kenntnis von Ba2 Mn2 Sb2 O und Ba2 Mn2 Bi2 O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1981","36","","27","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221469","4.803","","4.803","","20.097","","90","","90","","120","","401.501","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba2 Mn2 Bi2 O","","- Ba2 Bi2 Mn2 O -","- Ba2 Bi2 Mn2 O -","- Ba4 Bi4 Mn4 O2 -","2","0.0833333","","Brechtel, E.; Cordier, G.; Schaefer, H.","Ueber Oxidprictide: Zur Kenntnis von Ba2 Mn2 Sb2 O und Ba2 Mn2 Bi2 O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1981","36","","27","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221485","5.6284","","5.6284","","4.7556","","90","","90","","120","","130.469","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba0.9 Sr0.1 Co O3","","- Ba0.9 Co O3 Sr0.1 -","- Ba0.9 Co O3 Sr0.1 -","- Ba1.8 Co2 O6 Sr0.2 -","2","0.0833333","","de la Calle, C.; Alonso, J.A.; Fernandez-Diaz, M.T.","Polymorphism of Ba(1-x) Sr(x) Co O(3-delta) (0 <= x <= 1) perovskites: a thermal and structural study by neutron diffraction","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2008","63","","647","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221486","5.605","","5.605","","4.759","","90","","90","","120","","129.478","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba0.8 Sr0.2 Co O3","","- Ba0.8 Co O3 Sr0.2 -","- Ba0.8 Co O3 Sr0.2 -","- Ba1.6 Co2 O6 Sr0.4 -","2","0.0833333","","de la Calle, C.; Alonso, J.A.; Fernandez-Diaz, M.T.","Polymorphism of Ba(1-x) Sr(x) Co O(3-delta) (0 <= x <= 1) perovskites: a thermal and structural study by neutron diffraction","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2008","63","","647","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221487","5.6008","","5.6008","","4.3344","","90","","90","","120","","117.75","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba0.5 Sr0.5 Co O3","","- Ba0.5 Co O3 Sr0.5 -","- Ba0.5 Co O3 Sr0.5 -","- Ba Co2 O6 Sr -","2","0.0833333","","de la Calle, C.; Fernandez-Diaz, M.T.; Alonso, J.A.","Polymorphism of Ba(1-x) Sr(x) Co O(3-delta) (0 <= x <= 1) perovskites: a thermal and structural study by neutron diffraction","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2008","63","","647","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221488","5.5598","","5.5598","","4.2774","","90","","90","","120","","114.506","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba0.3 Sr0.7 Co O3","","- Ba0.3 Co O3 Sr0.7 -","- Ba0.3 Co O3 Sr0.7 -","- Ba0.6 Co2 O6 Sr1.4 -","2","0.0833333","","de la Calle, C.; Alonso, J.A.; Fernandez-Diaz, M.T.","Polymorphism of Ba(1-x) Sr(x) Co O(3-delta) (0 <= x <= 1) perovskites: a thermal and structural study by neutron diffraction","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2008","63","","647","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221489","5.399","","5.399","","4.2425","","90","","90","","120","","107.097","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba0.2 Sr0.8 Co O3","","- Ba0.2 Co O3 Sr0.8 -","- Ba0.2 Co O3 Sr0.8 -","- Ba0.4 Co2 O6 Sr1.6 -","2","0.0833333","","de la Calle, C.; Alonso, J.A.; Fernandez-Diaz, M.T.","Polymorphism of Ba(1-x) Sr(x) Co O(3-delta) (0 <= x <= 1) perovskites: a thermal and structural study by neutron diffraction","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2008","63","","647","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221491","5.6472","","5.6472","","4.7582","","90","","90","","120","","131.413","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba Co0.998 O2.782 -","- Ba Co O2.781 -","- Ba2 Co2 O5.562 -","2","0.0833333","","de la Calle, C.; Alonso, J.A.; Fernandez-Diaz, M.T.","Polymorphism of Ba(1-x) Sr(x) Co O(3-delta) (0 <= x <= 1) perovskites: a thermal and structural study by neutron diffraction","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2008","63","","647","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "7221499","4.2911","","4.2911","","7.8893","","90","","90","","120","","125.807","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ce Cu Ge -","- Ce Cu Ge -","- Ce2 Cu2 Ge2 -","2","0.0833333","","Pasturel, M.; Weill, F.; Bobet, J.L.","Superstructures in room - temperature ordered deuterides Ce Cu Si D(x) and Ce Cu Ge D(x)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2007","62","","922","928","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "7221500","4.229","","4.229","","24.815","","90","","90","","120","","384.344","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ce Cu Ge D1.15","","- Ce Cu D1.15 Ge -","- Ce Cu D1.14667 Ge -","- Ce6 Cu6 D6.88 Ge6 -","6","0.25","","Pasturel, M.; Weill, F.; Bobet, J.L.","Superstructures in room - temperature ordered deuterides Ce Cu Si D(x) and Ce Cu Ge D(x)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2007","62","","922","928","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221501","4.2194","","4.2194","","7.9548","","90","","90","","120","","122.648","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ce Cu Si -","- Ce Cu Si -","- Ce2 Cu2 Si2 -","2","0.0833333","","Pasturel, M.; Weill, F.; Bobet, J.L.","Superstructures in room - temperature ordered deuterides Ce Cu Si D(x) and Ce Cu Ge D(x)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2007","62","","922","928","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "7221502","4.1803","","4.1803","","58.15","","90","","90","","120","","880.025","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ce Cu Si D1.64","","- Ce Cu D1.64 Si -","- Ce Cu D1.63429 Si -","- Ce14 Cu14 D22.88 Si14 -","14","0.583333","","Pasturel, M.; Weill, F.; Bobet, J.L.","Superstructures in room - temperature ordered deuterides Ce Cu Si D(x) and Ce Cu Ge D(x)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2007","62","","922","928","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222186","4.084","","4.084","","13.742","","90","","90","","120","","198.496","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Tm2 Ni As2","","- As2 Ni Tm2 -","- As2 Ni Tm2 -","- As4 Ni2 Tm4 -","2","0.0833333","","Jeitschko, W.; Terbuechte, L.J.; Rodewald, U.C.","Ternary rare earth and uranium nickel arsenides Ln2 Ni As2 (Ln = Tb- Yb), Ln Ni As (Ln = La - Nd, Sm, Gd, Dy - Yb) and U Ni As","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1281","1288","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222336","5.71167","","5.71167","","14.0768","","90","","90","","120","","397.705","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba (Ir0.2 Fe0.8) O2.932","","- Ba Fe0.8 Ir0.2 O2.932 -","- Ba Fe0.8 Ir0.2 O2.932 -","- Ba6 Fe4.8 Ir1.2 O17.592 -","6","0.25","","Jordan, N.A.; Battle, P.D.; Kilcoyne, S.; Sloan, J.; Manuel, P.","Structural chemistry and magnetic properties of 6H and 15R hexagonal perovskites Ba Irx Fe1-x O3-d","Journal of Materials Chemistry","2003","13","","2617","2625","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222337","5.74145","","5.74145","","14.2308","","90","","90","","120","","406.259","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba (Ir0.575 Fe0.425 O3)","","- Ba Fe0.425 Ir0.575 O3 -","- Ba Fe0.425 Ir0.575 O3 -","- Ba6 Fe2.55 Ir3.45 O18 -","6","0.25","","Jordan, N.A.; Battle, P.D.; Manuel, P.; Sloan, J.; Kilcoyne, S.","Structural chemistry and magnetic properties of 6H and 15R hexagonal perovskites Ba Irx Fe1-x O3-d","Journal of Materials Chemistry","2003","13","","2617","2625","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222586","5.169","","5.169","","8.385","","90","","90","","120","","194.02","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Mg Ir2","","- Ir2 Mg -","- Ir2 Mg -","- Ir8 Mg4 -","4","0.166667","","Hlukhyy, V.; Poettgen, R.","The hexagonal Laves phase Mg Ir2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","943","946","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222705","3.339","","3.339","","37.326","","90","","90","","120","","360.392","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ge0.26 Nb S2 -","- Ge0.263667 Nb S2 -","- Ge1.582 Nb6 S12 -","6","0.25","","Pocha, R.; Johrendt, D.","Kristallstrukturen und elektronische Eigenschaften von Ge1/3 Nb S2 und Ge1/4 Nb S2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","1367","1374","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "7222901","3.83","","3.83","","14.88","","90","","90","","120","","189.03","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Tl In S2","","- In S2 Tl -","- In S2 Tl -","- In2 S4 Tl2 -","2","0.0833333","","Range, K.J.; Weiss, A.; Engert, G.; Mueller, W.","Hochdrucksynthese und Kristallstrukturen von Tl In S2 -II und Tl In S2 -III","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1974","29","","181","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7227721","7.6807","0.0001","7.6807","0.0001","6.3662","0.0001","90","","90","","120","","325.246","0.008","298","","298","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C3 H3 Cl N3 Na O3 -","- C3 H3 Cl N3 Na O3 -","- C6 H6 Cl2 N6 Na2 O6 -","2","0.0833333","","Shemchuk, Oleksii; Braga, Dario; Maini, Lucia; Grepioni, Fabrizia","Anhydrous ionic co-crystals of cyanuric acid with LiCl and NaCl","CrystEngComm","2017","19","10","1366","","10.1039/C7CE00037E","powder diffraction","x-ray","0.775311","Synchrotron","","","","","","","","","0.043","9.36586","","","","","","","has coordinates","195017","2020-10-21","18:00:00","" "7230298","7.8163","0.00004","7.8163","0.00004","8.02294","0.00005","90","","90","","120","","424.489","0.004","305","","305","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Scandium Fluoride","","- F3 Sc -","- F3 Sc -","- F18 Sc6 -","6","0.25","","Kasatkin, Igor A.; Gulina, Larisa B.; Platonova, Natalia V.; Tolstoy, Valeri P.; Murin, Igor V.","Strong negative thermal expansion in the hexagonal polymorph of ScF3","CrystEngComm","2018","20","20","2768","","10.1039/C8CE00257F","","","1.54056","","","0.094","","","","","","","","","","","","","","","has coordinates","229044","2020-10-21","18:00:00","" "7232505","9.5032","0.0003","9.5032","0.0003","6.8345","0.0004","90","","90","","120","","534.54","0.04","363","2","363","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C5 H14 Cd Cl3 N -","- C5 H13.92 Cd Cl3 N -","- C10 H27.84 Cd2 Cl6 N2 -","2","0.0833333","","Sun, Dong-Sheng; Zhang, Yao-Zu; Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Mei, Guang-Quan; Liao, Wei-Qiang","Reversible high temperature dielectric switching in a 2H-perovskite compound: [Me3NCH2CH3]CdCl3","CrystEngComm","2019","21","16","2669","","10.1039/C8CE02174K","","","0.71073","MoKα","","0.0423","0.0383","","","0.1166","0.1219","","","","","","1.008","","","","has coordinates","223608","2020-10-21","18:00:00","" "7232564","10.5952","0.0006","10.5952","0.0006","7.9539","0.0006","90","","90","","120","","773.27","0.09","393","2","393","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C8 H20 Br3 N Pb -","- C7.9968 H19.992 Br3 N0.9996 Pb -","- C15.9936 H39.984 Br6 N1.9992 Pb2 -","2","0.0833333","","Huang, Yuan; Yang, Jie; Li, Zi-jian; Qian, Kun; Sao, Feng","High-temperature ferroelastic phase transition in a perovskite-like complex: [Et4N]2[PbBr3]2","RSC Advances","2019","9","18","10364","","10.1039/C9RA00804G","","","1.54178","CuKα","","0.0826","0.0684","","","0.1252","0.1358","","","","","","1.089","","","","has coordinates,has disorder","214462","2020-10-21","18:00:00","" "7233067","18.5626","0.0007","18.5626","0.0007","23.7453","0.001","90","","90","","120","","7085.8","0.5","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C23 H17 Cu2 N O10 -","- C23 H16 Cu2 N O10 -","- C138 H96 Cu12 N6 O60 -","6","0.25","","Xu, Tingting; Jiang, Zhenzhen; He, Minghui; Gao, Xiaoxia; He, Yabing","Effect of arrangement of functional groups on stability and gas adsorption properties in two regioisomeric copper bent diisophthalate frameworks","CrystEngComm","2019","21","32","4820","","10.1039/C9CE00882A","","","1.54178","CuKα","","0.0776","0.0677","","","0.2631","0.2745","","","","","","1.091","","","","has coordinates","223516","2020-10-21","18:00:00","" "7233068","18.6231","0.0007","18.6231","0.0007","23.8591","0.001","90","","90","","120","","7166.2","0.5","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C23 H17 Cu2 N O10 -","- C23 H17 Cu2 N O10 -","- C138 H102 Cu12 N6 O60 -","6","0.25","","Xu, Tingting; Jiang, Zhenzhen; He, Minghui; Gao, Xiaoxia; He, Yabing","Effect of arrangement of functional groups on stability and gas adsorption properties in two regioisomeric copper bent diisophthalate frameworks","CrystEngComm","2019","21","32","4820","","10.1039/C9CE00882A","","","1.54178","CuKα","","0.0717","0.0488","","","0.1705","0.2016","","","","","","1.034","","","","has coordinates","223516","2020-10-21","18:00:00","" "7234017","18.5762","0.0005","18.5762","0.0005","23.8042","0.0016","90","","90","","120","","7113.7","0.5","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C37 H52 Cu2 N6 O16 -","- C22 H13 Cu2 N O10 -","- C132 H78 Cu12 N6 O60 -","6","0.25","","He, Minghui; Gao, Xiaoxia; Xu, Tingting; Jiang, Zhenzhen; He, Yabing","Tailoring the structures and gas adsorption properties of copper-bent diisophthalate frameworks by substituent-driven ligand conformation regulation strategy","CrystEngComm","2019","","","","","10.1039/C9CE01018A","","","0.71073","MoKα","","0.1159","0.0941","","","0.3623","0.417","","","","","","1.089","","","","has coordinates,has disorder","218645","2020-10-21","18:00:00","" "7236332","8.5821","0.0003","8.5821","0.0003","21.7678","0.0008","90","","90","","120","","1388.46","0.09","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","MAIB","Trimethylammonium dibismuth nonaiodide","","- C3 H9 Bi2 I9 N3 -","- C3 Bi2 I9 N3 -","- C6 Bi4 I18 N6 -","2","0.0833333","","Abulikemu, Mutalifu; Ould-Chikh, Samy; Miao, Xiaohe; Alarousu, Erkki; Murali, Banavoth; Ngongang Ndjawa, Guy Olivier; Barbé, Jérémy; El Labban, Abdulrahman; Amassian, Aram; Del Gobbo, Silvano","Optoelectronic and photovoltaic properties of the air-stable organohalide semiconductor (CH3NH3)3Bi2I9","Journal of Materials Chemistry A","2016","4","32","12504","","10.1039/C6TA04657F","","x-ray","0.71073","MoKα","","0.0422","0.0357","","","0.0909","0.0959","","","","","","1.105","","","","has coordinates","235409","2020-10-21","18:00:00","" "7236408","18.8605","0.0004","18.8605","0.0004","16.6183","0.0004","90","","90","","120","","5119.5","0.2","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 Co5 N15 O15 -","- C42 H24 Co5 N15 O15 -","- C84 H48 Co10 N30 O30 -","2","0.0833333","","Chen, Di-Ming; Zhang, Nan-Nan; Tian, Jia-Yue; Liu, Chun-Sen; Du, Miao","Pore modulation of metal‒organic frameworks towards enhanced hydrothermal stability and acetylene uptake via incorporation of different functional brackets","Journal of Materials Chemistry A","2017","5","10","4861","","10.1039/C6TA10785K","","x-ray","1.54184","CuKα","","0.0987","0.0968","","","0.2788","0.2881","","","","","","1.106","","","","has coordinates,has disorder","235485","2020-10-21","18:00:00","" "7236409","16.7919","0.001","16.7919","0.001","18.9208","0.0013","90","","90","","120","","4620.3","0.5","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C7.33 H5.33 Co0.5 N3.17 O1.17 -","- C7.3332 H5.3328 Co0.5 N3.1666 O1.16667 -","- C87.9984 H63.9936 Co6 N37.9992 O14 -","12","0.5","","Chen, Di-Ming; Zhang, Nan-Nan; Tian, Jia-Yue; Liu, Chun-Sen; Du, Miao","Pore modulation of metal‒organic frameworks towards enhanced hydrothermal stability and acetylene uptake via incorporation of different functional brackets","Journal of Materials Chemistry A","2017","5","10","4861","","10.1039/C6TA10785K","","x-ray","1.54184","CuKα","","0.0532","0.0518","","","0.1636","0.1651","","","","","","1.157","","","","has coordinates,has disorder","235485","2020-10-21","18:00:00","" "7236650","8.749","0.0012","8.749","0.0012","8.2061","0.0011","90","","90","","120","","543.98","0.13","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C2 H6 I3 N Pb -","- C2 I3 N0.99 Pb -","- C4 I6 N1.98 Pb2 -","2","0.0833333","","Ju, Dianxing; Zhao, Tianyu; Yangyang, Dang; Zhang, Guodong; Hu, Xiaobo; Cui, Deliang; Tao, Xutang","Gas induced conversion of hybrid perovskite single crystal to single crystal for great enhancement of their photoelectric properties","Journal of Materials Chemistry A","2017","5","41","21919","","10.1039/C7TA07413A","","","0.71073","MoKα","","0.0249","0.0244","","","0.0688","0.0692","","","","","","1.1","","","","has coordinates","236386","2020-10-21","18:00:00","" "7236652","8.778","0.002","8.778","0.002","8.212","0.002","90","","90","","120","","548","0.2","273","2","273","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C2 H6 I3 N Pb -","- C2 I3 N0.99 Pb -","- C4 I6 N1.98 Pb2 -","2","0.0833333","","Ju, Dianxing; Zhao, Tianyu; Yangyang, Dang; Zhang, Guodong; Hu, Xiaobo; Cui, Deliang; Tao, Xutang","Gas induced conversion of hybrid perovskite single crystal to single crystal for great enhancement of their photoelectric properties","Journal of Materials Chemistry A","2017","5","41","21919","","10.1039/C7TA07413A","","","0.71073","MoKα","","0.0451","0.0441","","","0.1142","0.1155","","","","","","1.086","","","","has coordinates","236386","2020-10-21","18:00:00","" "7236665","17.1503","0.0011","17.1503","0.0011","25.6245","0.0019","90","","90","","120","","6527.2","0.8","100","2","100","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C36 H23 N6 O16 Sc3 -","- C36 H18 N6 O16 Sc3 -","- C72 H36 N12 O32 Sc6 -","2","0.0833333","","Marshall, Ross J.; Lennon, Ciaran T.; Tao, Andi; Senn, Hans M.; Wilson, Claire; Fairen-Jimenez, David; Forgan, Ross S.","Controlling interpenetration through linker conformation in the modulated synthesis of Sc metal‒organic frameworks","Journal of Materials Chemistry A","2018","6","3","1181","","10.1039/C7TA09699B","","x-ray","0.71073","MoKα","K-L~3~","0.1905","0.1183","","","0.3236","0.3783","","","","","","1.093","","","","has coordinates,has disorder","236399","2020-10-21","18:00:00","" "7236670","18.6937","0.0006","18.6937","0.0006","23.5643","0.0014","90","","90","","120","","7131.4","0.5","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C38 H46 Cu2 N4 O15 -","- C26 H11 Cu2 O10 -","- C156 H66 Cu12 O60 -","6","0.25","","Chen, Fengli; Wang, Yao; Bai, Dongjie; He, Minghui; Gao, Xiaoxia; He, Yabing","Selective adsorption of C2H2 and CO2 from CH4 in an isoreticular series of MOFs constructed from unsymmetrical diisophthalate linkers and the effect of alkoxy group functionalization on gas adsorption","Journal of Materials Chemistry A","2018","6","8","3471","","10.1039/C7TA10123F","","","0.71073","MoKα","","0.1153","0.0602","","","0.1749","0.1971","","","","","","1.059","","","","has coordinates","236408","2020-10-21","18:00:00","" "7236671","18.6674","0.0003","18.6674","0.0003","23.4138","0.0007","90","","90","","120","","7065.9","0.3","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C28 H20 Cu2 O11 -","- C28 H20 Cu2 O11 -","- C168 H120 Cu12 O66 -","6","0.25","","Chen, Fengli; Wang, Yao; Bai, Dongjie; He, Minghui; Gao, Xiaoxia; He, Yabing","Selective adsorption of C2H2 and CO2 from CH4 in an isoreticular series of MOFs constructed from unsymmetrical diisophthalate linkers and the effect of alkoxy group functionalization on gas adsorption","Journal of Materials Chemistry A","2018","6","8","3471","","10.1039/C7TA10123F","","","0.71073","MoKα","","0.0851","0.0662","","","0.229","0.2471","","","","","","1.048","","","","has coordinates","236408","2020-10-21","18:00:00","" "7236672","18.6086","0.0003","18.6086","0.0003","23.4526","0.0007","90","","90","","120","","7033.1","0.3","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C27 H18 Cu2 O11 -","- C29 H18 Cu2 O11 -","- C174 H108 Cu12 O66 -","6","0.25","","Chen, Fengli; Wang, Yao; Bai, Dongjie; He, Minghui; Gao, Xiaoxia; He, Yabing","Selective adsorption of C2H2 and CO2 from CH4 in an isoreticular series of MOFs constructed from unsymmetrical diisophthalate linkers and the effect of alkoxy group functionalization on gas adsorption","Journal of Materials Chemistry A","2018","6","8","3471","","10.1039/C7TA10123F","","","0.71073","MoKα","","0.1137","0.0842","","","0.25","0.2696","","","","","","1.189","","","","has coordinates","236408","2020-10-21","18:00:00","" "7236991","7.5427","0.0008","7.5427","0.0008","18.5849","0.0013","90","","90","","120","","915.68","0.15","298.6","0.3","298.6","0.3","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Br9 Cs3 Fe2 -","- Br9 Cs3 Fe2 -","- Br18 Cs6 Fe4 -","2","0.0833333","","Wei, Fengxia; Brivio, Federico; Wu, Yue; Sun, Shijing; Bristowe, Paul D.; Cheetham, Anthony K.","Synthesis, crystal structure, magnetic and electronic properties of the caesium-based transition metal halide Cs3Fe2Br9","Journal of Materials Chemistry C","2018","6","14","3573","","10.1039/C7TC04798C","","x-ray","0.71073","MoKα","","0.0573","0.0445","","","0.1502","0.1637","","","","","","1.172","","","","has coordinates","236695","2020-10-21","18:00:00","" "7237224","8.5699","0.0008","8.5699","0.0008","21.552","0.002","90","","90","","120","","1370.8","0.2","296","2","296","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- I9 N Sb2 -","- I9 N Sb2 -","- I18 N2 Sb4 -","2","0.0833333","","Ju, Dianxing; Jiang, Xiaomei; Xiao, Hang; Chen, Xi; Hu, Xiaobo; Tao, Xutang","Narrow band gap and high mobility of lead-free perovskite single crystal Sn-doped MA3Sb2I9","Journal of Materials Chemistry A","2018","6","42","20753","","10.1039/C8TA08315K","","","0.71073","MoKα","","0.0598","0.0564","","","0.1771","0.1803","","","","","","1.204","","","","has coordinates","237499","2020-10-21","18:00:00","" "7237225","8.5508","0.001","8.5508","0.001","21.53","0.003","90","","90","","120","","1363.3","0.3","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C3 H18 I9 N3 Sb2 -","- C2 I9 Sb2 -","- C4 I18 Sb4 -","2","0.0833333","","Ju, Dianxing; Jiang, Xiaomei; Xiao, Hang; Chen, Xi; Hu, Xiaobo; Tao, Xutang","Narrow band gap and high mobility of lead-free perovskite single crystal Sn-doped MA3Sb2I9","Journal of Materials Chemistry A","2018","6","42","20753","","10.1039/C8TA08315K","","","0.71073","MoKα","","0.0448","0.0373","","","0.1408","0.146","","","","","","1.23","","","","has coordinates","237499","2020-10-21","18:00:00","" "7237602","9.7795","0.0009","9.7795","0.0009","23.197","0.005","90","","90","","120","","1921.3","0.5","443","2","443","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C15 Bi2 Cl9 N3 -","- C15 Bi2 Cl9 N2 -","- C30 Bi4 Cl18 N4 -","2","0.0833333","","Wang, Qing; Zhang, Yu-Wei; Zhang, Wan-Ying; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A high-temperature multiaxial precision time-delayed dielectric switch crystal triggered by linear/propeller/ball three-form motion","Journal of Materials Chemistry C","2019","7","10","2994","","10.1039/C8TC06228E","","","0.71073","MoKα","","0.2094","0.1328","","","0.3676","0.3818","","","","","","1.026","","","","has coordinates","237796","2020-10-21","18:00:00","" "7237825","8.1276","0.0007","8.1276","0.0007","10.5327","0.0013","90","","90","","120","","602.55","0.1","413","2","413","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C6 H18 B Cl2 F4 N3 -","- C6 H18 B Cl2 F3.9998 N3 -","- C12 H36 B2 Cl4 F7.9996 N6 -","2","0.0833333","","Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Liao, Wei-Qiang","A high temperature optic-electric duple switching organic ionic compound: 1,4,7-triazoniacyclononane tetrafluoroborate dichloride","Journal of Materials Chemistry C","2019","7","18","5348","","10.1039/C9TC01661A","","","0.71073","MoKα","","0.1203","0.1161","","","0.3897","0.3973","","","","","","1.959","","","","has coordinates","238643","2020-10-21","18:00:00","" "7237939","8.3732","0.0003","8.3732","0.0003","13.9808","0.0009","90","","90","","120","","848.88","0.07","320","2","320","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","DMAPbCl3D - T320K","","","- Cl3 Pb -","- Cl3 Pb -","- Cl12 Pb4 -","4","0.166667","","García-Fernández, Alberto; Juarez-Perez, Emilio Jose; Bermúdez-García, Juan Manuel; Llamas-Saiz, Antonio Luis; Artiaga, Ramón; López-Beceiro, Jorge Jose; Señarís-Rodríguez, María Antonia; Sánchez-Andújar, Manuel; Castro-García, Socorro","Hybrid lead halide [(CH3)2NH2]PbX3 (X = Cl− and Br−) hexagonal perovskites with multiple functional properties","Journal of Materials Chemistry C","2019","7","32","10008","","10.1039/C9TC03543E","","","0.71073","MoKα","","0.0653","0.0517","","","0.1458","0.158","","","","","","1.097","","","","has coordinates","238763","2020-10-21","18:00:00","" "7239560","18.4819","0.0003","18.4819","0.0003","34.4495","0.0005","90","","90","","120","","10190.8","0.3","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C31 H22 Cu2 O10 -","- C31 H10 Cu2 O10 -","- C186 H60 Cu12 O60 -","6","0.25","","Duan, Xing; Zhang, Qi; Cai, Jianfeng; Yang, Yu; Cui, Yuanjin; He, Yabing; Wu, Chuande; Krishna, Rajamani; Chen, Banglin; Qian, Guodong","A new metal‒organic framework with potential for adsorptive separation of methane from carbon dioxide, acetylene, ethylene, and ethane established by simulated breakthrough experiments","Journal of Materials Chemistry A","2014","2","8","2628","","10.1039/c3ta14454b","","","1.54178","CuKα","","0.0721","0.0599","","","0.1569","0.1636","","","","","","1.07","","","","has coordinates,has disorder","244771","2020-10-21","18:00:00","" "7241260","8.7799","0.0012","8.7799","0.0012","8.193","0.002","90","","90","","120","","546.96","0.17","273","2","273.15","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C2 I3 N Pb -","- C2 I3 N0.99 Pb -","- C4 I6 N1.98 Pb2 -","2","0.0833333","","Wang, Yiming; Liu, Yanliang; Wu, Yizhang; Jiang, Junjie; Liu, Chunlin; Liu, Wen-long; Gao, Kaige; Cai, Hongling; Wu, Xiaoshan","Properties and growth of large single crystal of one dimensional organic lead iodine perovskites","CrystEngComm","2020","","","","","10.1039/D0CE01104E","","","0.71073","MoKα","","0.0573","0.0413","","","0.0946","0.1002","","","","","","1.2","","","","has coordinates","256513","2020-10-21","18:00:00","" "7244716","9.1792","0.0003","9.1792","0.0003","21.9776","0.001","90","","90","","120","","1603.69","0.1","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C12 H36 Bi2 Cl11 N3 -","- C12 H36 Bi2 Cl11.0004 N3 -","- C24 H72 Bi4 Cl22.0008 N6 -","2","0.0833333","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Kolesov, Boris A.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maksim Nailyevich; Adonin, Sergey A.","Dichlorine-containing chlorobismuthate(III) supramolecular hybrid: structure and experimental studies of stability","CrystEngComm","2022","","","","","10.1039/D2CE00210H","","","0.71073","MoKα","","0.0612","0.0609","","","0.1409","0.1411","","","","","","1.449","","","","has coordinates,has disorder","274362","2022-04-05","22:50:29","" "7245154","10.6103","0.0012","10.6103","0.0012","7.2328","0.0006","90","","90","","120","","705.17","0.13","446","","446","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.0833333","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","x-ray","0.71073","MoKα","","0.0321","0.0284","","","0.0839","0.0873","","","","","","1.092","","","","has coordinates","276812","2022-07-22","23:29:19","" "7248099","34.8261","0.0006","34.8261","0.0006","17.3791","0.0004","90","","90","","120","","18254.4","0.6","152.99","","152.99","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H31 Cu6 N6 O24 -","- C42 H31 Cu6 N6 O24 -","- C252 H186 Cu36 N36 O144 -","6","0.25","","Li, Hong-Xin; Zhang, Zong-Hui; Fang, Han; Guo, Xin-Ai; Du, Guo-Tong; Wang, Qin; Xue, Dong-Xu","A (4,6)-c copper–organic framework constructed from triazole-inserted dicarboxylate linker with CO2 selective adsorption","CrystEngComm","2024","26","9","1204","1208","10.1039/D3CE01217D","","","1.54178","CuKα","","0.1682","0.1401","","","0.408","0.4432","","","","","","1.79","","","","has coordinates,has disorder","290154","2024-03-04","20:09:52","" "7248182","5.41865","0.00009","5.41865","0.00009","26.3535","0.0005","90","","90","","120","","670.12","0.02","292.09","0.1","292.09","0.1","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- B4 Ba4 Bi O13 Tb -","- B4 Ba4 Bi O13 Tb -","- B8 Ba8 Bi2 O26 Tb2 -","2","0.0833333","","Chen, Xuean; Yuan, Xuyang; Xiao, Weiqiang; Song, Xiaoyan","Two new rare-earth oxyborates Ba4BiTbO(BO3)4 and Ba1.54Sr2.46BiTbO(BO3)4 and luminescence properties of the Ba4BiTb1−xEuxO(BO3)4 phosphors","RSC Advances","2024","14","9","6270","6284","10.1039/D3RA08265B","","x-ray","0.71073","MoKα","","0.0464","0.0417","","","0.0964","0.0988","","","","","","1.173","","","","has coordinates","289875","2024-02-20","02:25:17","" "7248183","5.36534","0.00019","5.36534","0.00019","26.0661","0.001","90","","90","","120","","649.83","0.04","292.09","0.1","292.09","0.1","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- B4 Ba1.54 Bi O13 Sr2.46 Tb -","- B4 Ba1.54 Bi O13 Sr2.46 Tb -","- B8 Ba3.08 Bi2 O26 Sr4.92 Tb2 -","2","0.0833333","","Chen, Xuean; Yuan, Xuyang; Xiao, Weiqiang; Song, Xiaoyan","Two new rare-earth oxyborates Ba4BiTbO(BO3)4 and Ba1.54Sr2.46BiTbO(BO3)4 and luminescence properties of the Ba4BiTb1−xEuxO(BO3)4 phosphors","RSC Advances","2024","14","9","6270","6284","10.1039/D3RA08265B","","x-ray","0.71073","MoKα","","0.0645","0.0604","","","0.1077","0.1094","","","","","","1.121","","","","has coordinates","289875","2024-02-20","02:25:18","" "7703728","19.7255","0.0004","19.7255","0.0004","31.1693","0.0006","90","","90","","120","","10503","0.4","101.5","0.6","101.5","0.6","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","Compound 1","","- C62 H114 Cl4 In10 N16 Se16 -","- Cl4 In10 Se16 -","- Cl16 In40 Se64 -","4","0.166667","","Wang, Yanqi; Hu, Qianqian; Jin, Jiance; Li, Jilong; Li, Jianrong; Huang, Xiaoying","[Bmmim]6[In10Se16Cl4]·(MIm)2: an organic-ligand free discrete T3 cluster for efficient hydrogen evolution under visible light irradiation.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5020","5023","10.1039/d0dt00013b","","","1.3405","GaKα","","0.0759","0.0731","","","0.151","0.1522","","","","","","1.02","","","","has coordinates","251618","2020-10-21","18:00:00","" "7704051","7.8687","0.0002","7.8687","0.0002","12.8302","0.0003","90","","90","","120","","687.97","0.03","300","2","300","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ce3 Cs2 F16 Ni -","- Ce3 Cs2 F16 Ni -","- Ce6 Cs4 F32 Ni2 -","2","0.0833333","","Ayer, Gyanendra B.; Klepov, Vladislav V.; Pace, Kristen A.; Zur Loye, Hans-Conrad","Quaternary cerium(iv) containing fluorides exhibiting Ce3F16 sheets and Ce6F30 frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5898","5905","10.1039/d0dt00616e","","","0.71073","MoKα","","0.0236","0.0231","","","0.0448","0.045","","","","","","1.148","","","","has coordinates","252809","2020-10-21","18:00:00","" "7704052","7.8769","0.0002","7.8769","0.0002","12.9013","0.0003","90","","90","","120","","693.23","0.03","304","2","304.1","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ce3 Cs2 F16 Zn -","- Ce3 Cs2 F16 Zn -","- Ce6 Cs4 F32 Zn2 -","2","0.0833333","","Ayer, Gyanendra B.; Klepov, Vladislav V.; Pace, Kristen A.; Zur Loye, Hans-Conrad","Quaternary cerium(iv) containing fluorides exhibiting Ce3F16 sheets and Ce6F30 frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5898","5905","10.1039/d0dt00616e","","","0.71073","MoKα","","0.0116","0.0113","","","0.0236","0.0237","","","","","","1.155","","","","has coordinates","252809","2020-10-21","18:00:00","" "7704053","7.8823","0.0002","7.8823","0.0002","12.9303","0.0003","90","","90","","120","","695.74","0.03","300","2","300","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ce3 Co Cs2 F16 -","- Ce3 Co Cs2 F16 -","- Ce6 Co2 Cs4 F32 -","2","0.0833333","","Ayer, Gyanendra B.; Klepov, Vladislav V.; Pace, Kristen A.; Zur Loye, Hans-Conrad","Quaternary cerium(iv) containing fluorides exhibiting Ce3F16 sheets and Ce6F30 frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5898","5905","10.1039/d0dt00616e","","","0.71073","MoKα","","0.0114","0.0113","","","0.0236","0.0236","","","","","","1.22","","","","has coordinates","252809","2020-10-21","18:00:00","" "7704058","7.9014","0.0002","7.9014","0.0002","13.0931","0.0004","90","","90","","120","","707.92","0.03","300","2","300","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ce3 Cs2 F16 Mn -","- Ce3 Cs2 F16 Mn -","- Ce6 Cs4 F32 Mn2 -","2","0.0833333","","Ayer, Gyanendra B.; Klepov, Vladislav V.; Pace, Kristen A.; Zur Loye, Hans-Conrad","Quaternary cerium(iv) containing fluorides exhibiting Ce3F16 sheets and Ce6F30 frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5898","5905","10.1039/d0dt00616e","","","0.71073","MoKα","","0.0141","0.013","","","0.0295","0.0299","","","","","","1.09","","","","has coordinates","252809","2020-10-21","18:00:00","" "7704085","8.53568","0.00006","8.53568","0.00006","21.7298","0.0002","90","","90","","120","","1371.08","0.019","230","2","230","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C3 H18 Bi2 I9 N3 -","- C3 H18 Bi2 I9 N3 -","- C6 H36 Bi4 I18 N6 -","2","0.0833333","","Zhang, Yi; Fadaei Tirani, Farzaneh; Pattison, Philip; Schenk-Joß, Kurt; Xiao, Zewen; Nazeeruddin, Mohammad Khaja; Gao, Peng","Zero-dimensional hybrid iodobismuthate derivatives: from structure study to photovoltaic application.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5815","5822","10.1039/d0dt00015a","","","0.6804","synchrotron","","0.0204","0.0187","","","0.0481","0.0488","","","","","","1.085","","","","has coordinates,has disorder","252804","2020-10-21","18:00:00","" "7704086","8.5731","0.0001","8.5731","0.0001","21.7479","0.0003","90","","90","","120","","1384.28","0.03","293","1","293","1","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C3 H18 Bi2 I9 N3 -","- C3 H18 Bi2 I9 N3 -","- C6 H36 Bi4 I18 N6 -","2","0.0833333","","Zhang, Yi; Fadaei Tirani, Farzaneh; Pattison, Philip; Schenk-Joß, Kurt; Xiao, Zewen; Nazeeruddin, Mohammad Khaja; Gao, Peng","Zero-dimensional hybrid iodobismuthate derivatives: from structure study to photovoltaic application.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5815","5822","10.1039/d0dt00015a","","","0.6804","synchrotron","","0.0223","0.0203","","","0.0497","0.0506","","","","","","1.062","","","","has coordinates,has disorder","252804","2020-10-21","18:00:00","" "7704164","8.8324","0.0004","8.8324","0.0004","9.5325","0.0005","90","","90","","120","","644.01","0.05","293","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al12 Ca3 Rh4 -","- Al12 Ca3 Rh4 -","- Al24 Ca6 Rh8 -","2","0.0833333","","Stegemann, Frank; Zhang, Yuemei; Fokwa, Boniface P. T.; Janka, Oliver","On the formation of the Gd3Ru4Al12versus the Y2Co3Ga9 type structure - M3Rh4Al12 (M = Ca, Eu) versus M2T3Al9 (M = Ca, Sr, Eu, Yb; T = Ir, Pt).","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6398","6406","10.1039/d0dt00521e","","x-ray","0.71073","MoKα","","0.0167","0.0112","","","0.027","0.0286","","","","0.99","0.99","0.95","","","","has coordinates","252775","2020-10-21","18:00:00","" "7704165","8.876","0.0004","8.876","0.0004","9.6122","0.0004","90","","90","","120","","655.83","0.05","293","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al12 Eu3 Rh4 -","- Al12 Eu3 Rh4 -","- Al24 Eu6 Rh8 -","2","0.0833333","","Stegemann, Frank; Zhang, Yuemei; Fokwa, Boniface P. T.; Janka, Oliver","On the formation of the Gd3Ru4Al12versus the Y2Co3Ga9 type structure - M3Rh4Al12 (M = Ca, Eu) versus M2T3Al9 (M = Ca, Sr, Eu, Yb; T = Ir, Pt).","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6398","6406","10.1039/d0dt00521e","","x-ray","0.71073","MoKα","","0.0247","0.0202","","","0.0502","0.0509","","","","1.92","1.92","1.83","","","","has coordinates","252775","2020-10-21","18:00:00","" "7704959","9.9663","0.0014","9.9663","0.0014","9.938","0.002","90","","90","","120","","854.9","0.2","293","2","295","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Au3 La1.82 Mg14.36 -","- Au3 La1.818 Mg14.364 -","- Au6 La3.636 Mg28.728 -","2","0.0833333","","Freccero, R.; De Negri, S.; Saccone, A.; Solokha, P.","Solid state interactions in the La-Au-Mg system: phase equilibria, novel compounds and chemical bonding.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12056","12067","10.1039/d0dt02359k","","","0.71073","MoKα","","0.0276","0.0204","","","0.0528","0.0566","","","","","","1.087","","","","has coordinates,has disorder","256103","2020-10-21","18:00:00","" "7704962","9.8073","0.0004","9.8073","0.0004","10.4276","0.0005","90","","90","","120","","868.59","0.07","293","2","295","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Au3.25 La3 Mg12.75 -","- Au3.235 La3 Mg12.765 -","- Au6.47 La6 Mg25.53 -","2","0.0833333","","Freccero, R.; De Negri, S.; Saccone, A.; Solokha, P.","Solid state interactions in the La-Au-Mg system: phase equilibria, novel compounds and chemical bonding.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12056","12067","10.1039/d0dt02359k","","","0.71073","MoKα","","0.0165","0.0139","","","0.0431","0.0444","","","","","","1.082","","","","has coordinates","256103","2020-10-21","18:00:00","" "7707644","4.1482","0.0006","4.1482","","17.726","0.004","90","","90","","120","","264.16","0.07","296.15","","296.15","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- As2 Ca In2 -","- As2 Ca In2 -","- As4 Ca2 In4 -","2","0.0833333","","Ogunbunmi, Michael O.; Baranets, Sviatoslav; Childs, Amanda B.; Bobev, Svilen","The Zintl phases AIn2As2 (A = Ca, Sr, Ba): new topological insulators and thermoelectric material candidates.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9173","9184","10.1039/d1dt01521d","","","0.71073","MoKα","","0.0211","0.0132","","","0.028","0.0299","","","","","","1.007","","","","has coordinates","268761","2021-09-06","11:11:11","" "7707646","4.2222","0.0006","4.2222","","18.11","0.003","90","","90","","120","","279.59","0.06","200","","200","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- As2 In2 Sr -","- As2 In2 Sr -","- As4 In4 Sr2 -","2","0.0833333","","Ogunbunmi, Michael O.; Baranets, Sviatoslav; Childs, Amanda B.; Bobev, Svilen","The Zintl phases AIn2As2 (A = Ca, Sr, Ba): new topological insulators and thermoelectric material candidates.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9173","9184","10.1039/d1dt01521d","","","0.71073","MoKα","","0.0288","0.0248","","","0.0607","0.0618","","","","","","1.161","","","","has coordinates","268761","2021-09-06","11:11:11","" "7710135","9.7659","0.0016","9.7659","0.0016","7.9042","0.0007","90","","90","","120","","652.85","0.16","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C6 Br3 N2 Pb -","- C6.0002 Br3 N2.0001 Pb -","- C12.0004 Br6 N4.0002 Pb2 -","2","0.0833333","","Han, Keke; Wei, Zhenhong; Ye, Xing; Li, Bo; Wang, Pan; Cai, Hu","A lead bromide organic-inorganic hybrid perovskite material showing reversible dual phase transition and robust SHG switching","Dalton Transactions","2022","","","","","10.1039/D2DT01040B","","","0.71073","MoKα","","0.3405","0.1935","","","0.3019","0.3389","","","","","","1.43","","","","has coordinates","274812","2022-05-02","23:12:53","" "7710460","5.4305","0.0001","5.4305","0.0001","26.3501","0.0003","90","","90","","120","","672.965","0.019","289.9","0.8","289.9","0.8","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- B4 Ba3 Bi Eu O13 Pb -","- B4 Ba3 Bi Eu O13 Pb -","- B8 Ba6 Bi2 Eu2 O26 Pb2 -","2","0.0833333","","Chen, Xuean; Bian, Ruru; Xiao, Weiqiang; Song, Xiaoyan","A new rare-earth oxyborate Ba3BiPbEuO(BO3)4 and the luminescence properties of the Ba3BiPbY1-xEuxO(BO3)4 phosphors.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9454","9466","10.1039/d2dt01063a","","x-ray","0.71073","MoKα","","0.0526","0.0507","","","0.106","0.1069","","","","","","1.212","","","","has coordinates","276604","2022-07-06","08:02:59","" "7711447","9.0019","0.0013","9.0019","0.0013","30.036","0.005","90","","90","","120","","2107.9","0.6","296","2","296","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H58 Cl3 Co2 N6 O24 Tb -","- C30 H58 Cl3 Co2 N6 O24 Tb -","- C60 H116 Cl6 Co4 N12 O48 Tb2 -","2","0.0833333","","Lan, Bi-Liu; Luo, Ai-Yi; Shao, Bing; Gao, Li-Na; Wei, Qin; Liang, Yu-Ning; Huang, Jin; Zhang, Zhong","Structural evolution from preorganized mononuclear triazamacrocyclic metalloligands to polynuclear metallocages and heterometallic 2D layers: modular architectures, assembly tracking and magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02186B","","","0.71073","MoKα","","0.0786","0.0756","","","0.2054","0.2069","","","","","","1.076","","","","has coordinates","278495","2022-10-07","22:56:05","" "7711450","9.0019","0.0013","9.0019","0.0013","30.036","0.005","90","","90","","120","","2107.9","0.6","296","2","296","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H64 Cl3 Co2 N6 O24 Tb -","- C30 H64 Cl3 Co2 N6 O24 Tb -","- C60 H128 Cl6 Co4 N12 O48 Tb2 -","2","0.0833333","","Lan, Bi-Liu; Luo, Ai-Yi; Shao, Bing; Gao, Li-Na; Wei, Qin; Liang, Yu-Ning; Huang, Jin; Zhang, Zhong","Structural evolution from preorganized mononuclear triazamacrocyclic metalloligands to polynuclear metallocages and heterometallic 2D layers: modular architectures, assembly tracking and magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02186B","","","0.71073","MoKα","","0.0715","0.0688","","","0.1809","0.1819","","","","","","1.032","","","","has coordinates","278495","2022-10-07","22:56:05","" "7711968","10.57","0.002","10.57","0.002","7.9754","0.0016","90","","90","","120","","771.7","0.3","410","","410","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C7 H17 Br3 Cl N Pb -","- C6.4974 H16.4934 Br3 Cl0.9996 N0.9996 Pb -","- C12.9948 H32.9868 Br6 Cl1.9992 N1.9992 Pb2 -","2","0.0833333","","Cai, Zhuoer; Zhang, Xinyi; Xiao, Shiyue; Ge, Shuwang; Liu, Xianmin; Zhang, Yinan; Chen, Long; Hua, Xiu-Ni; Sun, Baiwang","Design, synthesis, and characterization of a new hybrid organic-inorganic perovskite with a high-Tc dielectric transition.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","955","961","10.1039/d2dt03503k","","x-ray","0.71073","MoKα","","0.1423","0.0893","","","0.2454","0.3051","","","","","","1.034","","","","has coordinates,has disorder","283264","2023-05-05","01:52:59","" "7712063","9.875","0.0002","9.875","0.0002","15.917","0.0006","90","","90","","120","","1344.21","0.06","372.98","0.1","372.98","0.1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- C30 Br12 N4 -","- C30 Br12 N4 -","- C30 Br12 N4 -","1","0.0416667","","Zhang, Haina; You, Xiuli; Zhang, Mengxia; Guo, Wenjing; Wei, Zhenhong; Cai, Hu","Two metal-free perovskite molecules with different 3D frameworks show reversible phase transition, dielectric anomaly and SHG effect.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1753","1760","10.1039/d2dt03889g","","","1.54178","CuKα","","0.1316","0.1272","","","0.4095","0.4182","","","","","","3.719","","","","has coordinates","283300","2023-05-05","02:17:23","" "7713637","9.7593","0.001","9.7593","0.001","23.153","0.003","90","","90","","120","","1909.7","0.4","325.01","0.1","325.01","0.1","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C9 Bi2 I9 S3 -","- C9 Bi2 I9 S3 -","- C18 Bi4 I18 S6 -","2","0.0833333","","Szklarz, Przemyslaw; Gągor, Anna; Jakubas, Ryszard; Medycki, Wojciech; Bator, Grazyna","Temperature symmetry breaking and properties of lead-free organic-inorganic hybrids: antimony(III) iodide and bismuth(III) iodide: (S(CH3)3)3[Sb2I9] and (S(CH3)3)3[Bi2I9]","Dalton Transactions","2023","","","","","10.1039/D3DT01650A","","x-ray","0.71073","MoKα","","0.2188","0.0878","","","0.282","0.3753","","","","","","0.984","","","","has coordinates","285419","2023-08-01","23:06:25","" "7715509","10.7144","0.0001","10.7144","0.0001","29.4426","0.0004","90","","90","","120","","2927.13","0.06","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C10 I15 N20 Pb17.5 -","- C10 I15 N20 Pb17.5 -","- C20 I30 N40 Pb35 -","2","0.0833333","","Schwarz, Albert T.; Ströbele, Markus; Romao, Carl P.; Enseling, David; Jüstel, Thomas; Meyer, H-Jürgen","The luminescent semiconductor Pb7I6(CN2)4.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6416","6422","10.1039/d4dt00369a","","","0.71073","MoKα","","0.022","0.0212","","","0.0432","0.0435","","","","","","1.113","","","","has coordinates","290950","2024-04-04","23:28:54","" "8000504","9.556","0.004","9.556","0.004","7.9","0.002","90","","90","","120","","624.8","0.4","473","2","473","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C3.2 H8 Br1.2 N0.4 O0.4 Pb0.4 -","- C5.2 Br1.2 Pb0.4 -","- C26 Br6 Pb2 -","5","0.208333","","Huang, Xue-Qin; Zhang, Hua; Wang, Fang; Gan, Tian; Xu, Zhe-Kun; Wang, Zhong-Xia","A Photoluminescent Lead Bromide Hybrid Perovskite Molecular Ferroelastic Semiconductor with Sequential High-Tc Phase Transitions.","The journal of physical chemistry letters","2021","12","21","5221","5227","10.1021/acs.jpclett.1c01473","","","0.71073","MoKα","","0.4816","0.3061","","","0.301","0.3588","","","","","","1.273","","","","has coordinates","265767","2021-06-04","01:05:54","" "8100730","4.1008","0.0003","4.1008","0.0003","17.983","0.002","90","","90","","120","","261.9","0.04","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","dilanthanum-diiron-monoiodide","","","- Fe2 I La2 -","- Fe2 I La2 -","- Fe4 I2 La4 -","2","0.0833333","","Mattausch, Hansjuergen; Oeckler, Oliver; Simon, Arndt","Refinement of the crystal structure of dilanthanum diiron monoiodide, La~2~Fe~2~I","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","3","323","323","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101054","7.714","0.002","7.714","0.002","7.049","0.001","90","","90","","120","","363.26","0.14","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","cesium rubidium auride oxide","","","- Au Cs2 O Rb -","- Au Cs1.83 O Rb1.17 -","- Au2 Cs3.66 O2 Rb2.34 -","2","0.0833333","","Mudring, Anja-Verena; Jansen, Martin","Crystal structure of dicesium rubidium auride oxide, Cs~2~RbAuO","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","325","325","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101260","4.092","0.001","4.092","0.001","5.145","0.002","90","","90","","120","","74.61","0.04","300","2","300","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Co Cr Ge -","- Co Cr Ge -","- Co2 Cr2 Ge2 -","2","0.0833333","","Wirringa, Jörg; Wartchow, Rudolf; Binnewies, Michael","Crystal structure of cobalt chromium germanium, CoCrGe","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","2","197","198","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8102952","5.6785","0.0002","5.6785","0.0002","8.6911","0.0005","90","","90","","120","","242.702","0.018","","","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Eu2 Ga3 Ir -","- Eu2 Ga3 Ir -","- Eu4 Ga6 Ir2 -","2","0.0833333","","Sichevych, O.; Prots, Yu.; Schnelle, W.; Schmidt, M.; Grin, Yu.","Crystal structure of dieuropium trigallium iridium, Eu~2~Ga~3~Ir","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","263","264","","","","0.71073","MoKα","","","0.032","","","","0.028","","","","","","1.188","","","","has coordinates","176728","2020-10-21","18:00:00","" "8102956","4.8692","0.0005","4.8692","0.0005","7.9628","0.0008","90","","90","","120","","163.5","0.03","293","2","293.15","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","niobium chromium nickel","niobium chromium nickel","","- Cr1.02 Nb Ni0.98 -","- Cr1.015 Nb Ni0.985 -","- Cr4.06 Nb4 Ni3.94 -","4","0.166667","","Grüner, D.; Ormeci, A.; Kreiner, G.","Crystal structure of niobium chromium nickel, Nb(Cr~1-x~Ni~x~)~2~ (x = 0.49)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","269","270","","","","0.71073","MoKα","","0.0584","0.052","","","0.1091","0.1108","","","","","","1.429","","","","has coordinates","176728","2020-10-21","18:00:00","" "8102961","10.936","0.001","10.936","0.001","8.943","0.002","90","","90","","120","","926.3","0.2","293","2","293","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","barium tetralithium","","- Ba Li4 -","- Ba Li4 -","- Ba6 Li24 -","6","0.25","","Smetana, V.; Babizhetskyy, V.; Hoch, C.; Simon, A.","Refinement of the crystal structure of barium tetralithium, BaLi~4~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","434","434","","","","0.71073","MoKα","","0.0328","0.0293","","","0.0665","0.0679","","","","","","1.099","","","","has coordinates","176728","2020-10-21","18:00:00","" "8102972","3.9965","0.0004","3.9965","0.0004","15.82","0.002","90","","90","","120","","218.82","0.04","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","trinickel tin ditelluride","","- Ni3 Sn Te2 -","- Ni2.867 Sn1.007 Te2 -","- Ni5.734 Sn2.014 Te4 -","2","0.0833333","","Deiseroth, Hans-Jörg; Spirovski, Filip; Reiner, Christof; Schlosser, Marc","Crystal structure of trinickel tin ditelluride, Ni~3-x~SnTe~2~ (x = 0.13)","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","3","169","170","","","","0.71073","MoKα","","0.0353","0.0315","","","0.0704","0.0723","","","","","","1.268","","","","has coordinates","176728","2020-10-21","18:00:00","" "8103058","4.9935","0.0001","4.9935","0.0001","8.0713","0.0002","90","","90","","120","","174.295","0.007","293","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","niobium aluminium cobalt","niobium aluminium cobalt","","- Al1.23 Co0.77 Nb -","- Al1.23 Co0.77 Nb -","- Al4.92 Co3.08 Nb4 -","4","0.166667","","Alexander Kerkau; Guido Kreiner","Crystal structure of niobium aluminium cobalt, Nb(Al0.62Co0.38)2","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","4","621","","","","","0.56088","AgKα","","0.0228","0.0192","","","0.0464","0.0477","","","","1.58","1.58","1.51","","","","has coordinates","176466","2020-10-21","18:00:00","" "8103183","4.206","0.001","4.206","0.001","7.653","0.002","90","","90","","120","","117.25","0.05","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Nd P Pd -","- Nd0.0833333 P0.0833333 Pd0.0833333 -","- Nd2 P2 Pd2 -","24","1","","Volodymyr Babizhetskyy; Stepan Oryshchyn; Olga Zhak; Oleg Lysyy; Arndt Simon","Refinement of the crystal structure of neodymium palladium phosphide, NdPdP","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","1","","","","","0.56086","AgKα","","0.0366","0.0325","","","0.0791","0.0809","","","","","","1.065","","","","has coordinates","176728","2020-10-21","18:00:00","" "8103468","5.259","","5.259","","12.706","","90","","90","","120","","304.331","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Sr3 P (B O3)","","- B O3 P Sr3 -","- B O3 P Sr3 -","- B2 O6 P2 Sr6 -","2","0.0833333","","Somer, M.; Carrillo-Cabrera, W.; Peters, K.; von Schnering, H.G.","Crystal structure of tristrontium phosphide borate, Sr3 P (B O3)","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","526","526","10.1524/zkri.1995.210.7.526","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8103476","5.502","","5.502","","13.506","","90","","90","","120","","354.078","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba3 P (B O3)","","- B Ba3 O3 P -","- B Ba3 O3 P -","- B2 Ba6 O6 P2 -","2","0.0833333","","Somer, M.; Peters, K.; Carrillo-Cabrera, W.; von Schnering, H.G.","Crystal structure of tribarium phosphide borate, Ba3 P (B O3)","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","449","449","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8103488","5.115","","5.115","","27.946","","90","","90","","120","","633.201","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ca5 Ni15 B4","","- B4 Ca5 Ni15 -","- B4 Ca5 Ni15 -","- B8 Ca10 Ni30 -","2","0.0833333","","Jung, W.; Weltzer, M.","Die ternaeren Calcium-Nickelboride Ca Ni4 B, Ca3 Ni7 B2, Ca5 Ni15 B4 und Ca Ni12 B6","Zeitschrift fuer Kristallographie (149,1979-)","1991","196","","169","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8103543","5.723","","5.723","","14.023","","90","","90","","120","","397.758","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba (Ti0.88 Pt0.12) O3","","- Ba O3 Pt0.12 Ti0.88 -","- Ba O3 Pt0.12 Ti0.88 -","- Ba6 O18 Pt0.72 Ti5.28 -","6","0.25","","Fischer, R.; Tillmanns, E.","Synthese und Kristallstruktur von zwei Bariumtitanplatinoxiden Ba (Ti, Pt) O3 und Ba4 (Ti, Pt)2 Pt O10","Zeitschrift fuer Kristallographie (149,1979-)","1981","157","","69","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103713","7.148","","7.148","","16.949","","90","","90","","120","","749.97","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ca (C O3)","","- C Ca O3 -","- C Ca0.999833 O3 -","- C12 Ca11.998 O36 -","12","0.5","","Meyer, H.J.","Struktur und Fehlordnung des Vaterits","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1969","128","","183","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103726","5.052","","5.052","","8.27","","90","","90","","120","","182.794","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Si O2","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.166667","","Kihara, K.","Thermal change in unit-cell dimensions, and a hexagonal structure of tridymite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1978","148","","237","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103842","8.6018","","8.6018","","14.601","","90","","90","","120","","935.604","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","(C H3)2 N H2 Pb Br3","","- C2 H8 Br3 N Pb -","- C1.999 Br3 N1.0011 Pb -","- C7.996 Br12 N4.0044 Pb4 -","4","0.166667","","Geselle, M.; Fuess, H.","Crystal structure of dimethylammonium tribromoplumbate(II), (C H3)2 N H2 Pb Br3","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","234","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103858","7.3226","","7.3226","","17.9982","","90","","90","","120","","835.777","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs3 (Ti2 Cl9)","","- Cl9 Cs3 Ti2 -","- Cl9 Cs3 Ti2 -","- Cl18 Cs6 Ti4 -","2","0.0833333","","Gloger, T.; Hinz, D.J.; Meyer, G.; Lachgar, A.","The crystal structure of tricesium nonachlorodititanate(III), Cs3 ti2 Cl9","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","821","821","","","","","","","","","","","","","","","","","","","","","","has coordinates","161494","2020-10-21","18:00:00","" "8103874","7.0585","","7.0585","","17.291","","90","","90","","120","","746.063","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","In3 (Ti2 Cl9)","","- Cl9 In3 Ti2 -","- Cl9 In3 Ti2 -","- Cl18 In6 Ti4 -","2","0.0833333","","Bajan, B.; Meyer, H.J.","Crystal structure of triindium nonachloro dititanate, In3 Ti2 Cl9","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","817","817","","","","","","","","","","","","","","","","","","","","","","has coordinates","161774","2020-10-21","18:00:00","" "8103896","10.168","","10.168","","10.527","","90","","90","","120","","942.554","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Na3 K6 Sb (Al Sb3)","","- Al K6 Na3 Sb4 -","- Al K6 Na3 Sb4 -","- Al2 K12 Na6 Sb8 -","2","0.0833333","","Somer, M.; Carrillo-Cabrera, W.; von Schnering, H.G.; Peters, K.; Peters, E.M.","Crystal structure of sodium potassium antimonide triantimonidoaluminate, Na3 K6 Sb (Al Sb3)","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","527","527","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103905","5.253","","5.253","","12.988","","90","","90","","120","","310.376","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Sr3 As1.08 (B O3)0.92","","- As1.08 B0.92 O2.76 Sr3 -","- As1.08 B0.92 O2.76 Sr3 -","- As2.16 B1.84 O5.52 Sr6 -","2","0.0833333","","Somer, M.; Carillo-Cabrera, W.; Peters, K.; Peters, E.M.; von Schnering, H.G.","Crystal structure of tristrontium arsenide borate, Sr3 As B O3","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","190","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","162213","2020-10-21","18:00:00","" "8103921","5.528","","5.528","","13.606","","90","","90","","120","","360.078","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba3 As (B O3)","","- As B Ba3 O3 -","- As B Ba3 O3 -","- As2 B2 Ba6 O6 -","2","0.0833333","","Somer, M.; von Schnering, H.G.; Curda, J.; Carrillo-Cabrera, W.; Peters, K.","Crystal structure of tribarium arsenide borate, Ba3 As (B O3)","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","300","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103963","7.656","","7.656","","6.357","","90","","90","","120","","322.691","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs Ti Br3","","- Br3 Cs Ti -","- Br3 Cs Ti -","- Br6 Cs2 Ti2 -","2","0.0833333","","Meyer, G.; Hinz, D.J.; Floerke, U.","Crystal structure cesium titanium tribromide","Zeitschrift fuer Kristallographie (149,1979-)","1993","208","","370","371","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104032","8.413","","8.413","","8.297","","90","","90","","120","","508.573","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Yb1.85 Fe17.3","","- Fe17.3 Yb1.85 -","- Fe17.308 Yb1.846 -","- Fe34.616 Yb3.692 -","2","0.0833333","","Cerny, R.; Pacheco, V.; Yanson, T.; Manyako, M.; Bodak, O.","Structure of iron-rich compounds in the Yb-Fe-Al system","Zeitschrift fuer Kristallographie (149,1979-)","2003","218","","802","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","163508","2020-10-21","18:00:00","" "8104033","8.5551","","8.5551","","8.421","","90","","90","","120","","533.758","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Yb1.98 Fe15.68 Al1.36","","- Al1.36 Fe15.68 Yb1.98 -","- Al1.446 Fe15.612 Yb1.974 -","- Al2.892 Fe31.224 Yb3.948 -","2","0.0833333","","Cerny, R.; Pacheco, V.; Yanson, T.; Manyako, M.; Bodak, O.","Structure of iron-rich compounds in the Yb-Fe-Al system","Zeitschrift fuer Kristallographie (149,1979-)","2003","218","","802","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","163513","2020-10-21","18:00:00","" "8104034","4.983","","4.983","","4.2229","","90","","90","","120","","90.808","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Yb0.691 Fe4.914 Al0.706","","- Al0.706 Fe4.914 Yb0.691 -","- Al0.706 Fe4.914 Yb0.691 -","- Al1.412 Fe9.828 Yb1.382 -","2","0.0833333","","Cerny, R.; Manyako, M.; Yanson, T.; Pacheco, V.; Bodak, O.","Structure of iron-rich compounds in the Yb-Fe-Al system","Zeitschrift fuer Kristallographie (149,1979-)","2003","218","","802","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","163517","2020-10-21","18:00:00","" "8104036","4.9924","","4.9924","","4.2383","","90","","90","","120","","91.483","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Yb0.668 Fe4.892 Al0.772","","- Al0.772 Fe4.892 Yb0.668 -","- Al0.772 Fe4.892 Yb0.668 -","- Al1.544 Fe9.784 Yb1.336 -","2","0.0833333","","Cerny, R.; Bodak, O.; Yanson, T.; Pacheco, V.; Manyako, M.","Structure of iron-rich compounds in the Yb-Fe-Al system","Zeitschrift fuer Kristallographie (149,1979-)","2003","218","","802","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","163522","2020-10-21","18:00:00","" "8104065","2.974","","2.974","","11.4","","90","","90","","120","","87.321","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cu Cr O2","","- Cr Cu O2 -","- Cr Cu O2 -","- Cr2 Cu2 O4 -","2","0.0833333","","Crottaz, O.; Kubel, F.","Crystal structure of copper(I) chromium(III) oxide, 2HCu Cr O2","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","481","481","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104132","5.8456","","5.8456","","14.3563","","90","","90","","120","","424.846","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","(N H4) (Ni F3)","","- F3 H4 N Ni -","- F3 N Ni -","- F18 N6 Ni6 -","6","0.25","","Plitzko, C.; Strecker, M.; Meyer, G.","Crystal structure of two modifications of ammonium trifluoro nickelate(II), N H4 Ni F3","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","3","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104137","7.587","","7.587","","17.97","","90","","90","","120","","895.816","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Rb3 (Br3 (Nb Br3)2)","","- Br9 Nb2 Rb3 -","- Br9 Nb2 Rb3 -","- Br18 Nb4 Rb6 -","2","0.0833333","","Womelsdorf, H.; Meyer, H.J.","Crystal structure of rubidium-tri-mue-bromo-bis(tribromoniobate(III)), Rb3 (Nb2 Br9)","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","609","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","164442","2020-10-21","18:00:00","" "8104248","6.439","","6.439","","10.494","","90","","90","","120","","376.798","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mg2 Sr -","- Mg2 Sr -","- Mg8 Sr4 -","4","0.166667","","Hellner, E.; Laves, F.","Die Kristallstrukturen von Sr Mg2, Ba Mg2 und Ca Li2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1943","105","","134","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "8104267","2.7298","","2.7298","","4.3104","","90","","90","","120","","27.817","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","","- Os -","- Os -","- Os2 -","2","0.0833333","","Owen, E.A.; Roberts, E.W.","The crystal parameters of osmium and ruthenium at different temperatures","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","96","","497","498","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "8104268","2.69844","","2.69844","","4.27305","","90","","90","","120","","26.946","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","","- Ru -","- Ru -","- Ru2 -","2","0.0833333","","Owen, E.A.; Roberts, E.W.","The crystal parameters of osmium and ruthenium at different temperatures","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","96","","497","498","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "8104325","12.666","","12.666","","12.635","","90","","90","","120","","1755.44","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Na22 Ba14 Ca N6","","- Ba14 Ca N6 Na22 -","- Ba14 Ca N6 Na22 -","- Ba14 Ca N6 Na22 -","1","0.0416667","","Steinbrenner, U.; Simon, A.","Structural frustration in a rod packing - An analogy to the disordered triangular Ising net","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","428","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104373","5.908","","5.908","","32.745","","90","","90","","120","","989.821","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Sr Zn2 Fe16 O27","","- Fe16 O27 Sr Zn2 -","- Fe16 O27 Sr Zn2 -","- Fe32 O54 Sr2 Zn4 -","2","0.0833333","","Graetsch, H.; Gebert, W.; Sahl, H.","Crystal structure of W-type Sr Zn2 Fe16 O27, a refinement","Zeitschrift fuer Kristallographie (149,1979-)","1986","175","","139","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104405","8.3941","","8.3941","","21.2036","","90","","90","","120","","1293.86","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs3 (Er2 I9)","","- Cs3 Er2 I9 -","- Cs3 Er2 I9 -","- Cs6 Er4 I18 -","2","0.0833333","","Artelt, H.M.; Meyer, G.","Crystal structure of tricesium nonaiodo dierbate(III)","Zeitschrift fuer Kristallographie (149,1979-)","1993","203","","284","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","173786","2020-10-21","18:00:00","" "8104444","10.9719","","10.9719","","11.5009","","90","","90","","120","","1199.02","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","K3 Cs6 (Ga Sb4)","","- Cs6 Ga K3 Sb4 -","- Cs6 Ga K3 Sb4 -","- Cs12 Ga2 K6 Sb8 -","2","0.0833333","","Somer, M.; Peters, K.; von Schnering, H.G.","Crystal structure of cesium potassium tetraantimonidogallate","Zeitschrift fuer Kristallographie (149,1979-)","1991","195","","101","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104445","11.0169","","11.0169","","11.5885","","90","","90","","120","","1218.08","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","K3 Cs6 Sb (Al Sb3)","","- Al Cs6 K3 Sb4 -","- Al Cs6 K3 Sb4 -","- Al2 Cs12 K6 Sb8 -","2","0.0833333","","Somer, M.; Peters, K.; von Schnering, H.G.","Crystal structure of cesium antimonide triantimonidoaluminate","Zeitschrift fuer Kristallographie (149,1979-)","1991","195","","316","317","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104503","7.246","","7.246","","6.04","","90","","90","","120","","274.64","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs (Fe Cl3)","","- Cl3 Cs Fe -","- Cl3 Cs Fe -","- Cl6 Cs2 Fe2 -","2","0.0833333","","Kohne, A.; Kemnitz, E.; Simon, A.; Mattausch, H.J.","Crystal structure of cesium trichloroferrate(II)","Zeitschrift fuer Kristallographie (149,1979-)","1993","203","","316","317","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104539","5.052","0.009","5.052","0.009","8.27","0.02","90","","90","","120","","182.8","0.6","","","693","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","tridymite","","Tridymite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.166667","","Kihara, K.; Matsumoto, T.; Imamura, M.","Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters : HP structure at 693 K","Zeitschrift fur Kristallographie","1986","177","","27","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","287741","2023-11-22","19:43:54","" "8104540","5.052","0.009","5.052","0.009","8.27","0.02","90","","90","","120","","182.8","0.6","","","773","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","tridymite","","tridymite HP at 773 K","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.166667","","Kihara, K.; Matsumoto, T.; Imamura, M.","Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters : HP structure at 773 K","Zeitschrift fur Kristallographie","1986","177","","27","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211273","2020-10-21","18:00:00","" "8107319","10.3895","0.0002","10.3895","0.0002","10.2547","0.0003","90","","90","","120","","958.61","0.04","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- La0.12 Mg Sb0.04 -","- La0.121667 Mg Sb0.03568 -","- La3.65 Mg30 Sb1.0704 -","30","1.25","","Nytka, Vitalii; Kordan, Vasyl; Pavlyuk, Volodymyr","La3.65Mg30Sb1.07 as a disordered derivative of Th2Ni17-type structure","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1147","1149","10.1515/ncrs-2022-0411","","","0.71073","MoKα","","0.0227","0.0166","","","0.0429","0.0484","","","","","","1.241","","","","has coordinates","284411","2023-06-08","08:41:55","" "9000062","3.796","","3.796","","16.36","","90","","90","","120","","204.158","","","","","","","","","","","","Leonard mine, Butte, Montana, USA","2","P 63/m m c","-P 6c 2c","194","","","Covellite","- Cu S -","- Cu S -","- Cu6 S6 -","6","0.25","","Berry, L. G.","The crystal structure of covellite, CuS and klockmannite, CuSe","American Mineralogist","1954","39","","504","509","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59","" "9000063","3.938","","3.938","","17.25","","90","","90","","120","","231.671","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","Klockmannite","- Cu Se -","- Cu Se -","- Cu6 Se6 -","6","0.25","","Berry, L. G.","The crystal structure of covellite, CuS and klockmannite, CuSe","American Mineralogist","1954","39","","504","509","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59","" "9000523","3.7938","","3.7938","","16.341","","90","","90","","120","","203.685","","","","","","","","","","","","Summitville, Colorado","2","P 63/m m c","-P 6c 2c","194","","","Covellite","- Cu S -","- Cu S -","- Cu6 S6 -","6","0.25","","Evans, H. T.; Konnert, J. A.","Crystal structure refinement of covellite","American Mineralogist","1976","61","","996","1000","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:00","" "9001072","5.871","","5.871","","23.06","","90","","90","","120","","688.358","","","","","","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","Hawthorneite","- Ba0.85 Cr4.72 Fe3.54 K0.12 Mg0.72 O19 Ti3.02 -","- Ba0.85 Cr4.72 Fe3.54 K0.12 Mg0.72 O19 Ti3.02 -","- Ba1.7 Cr9.44 Fe7.08 K0.24 Mg1.44 O38 Ti6.04 -","2","0.0833333","","Grey, I. E.; Madsen, I. C.; Haggerty, S. E.","Structure of a new upper-mantle, magnetoplumbite-type phase, Ba(Ti3Cr4Fe4Mg)O19","American Mineralogist","1987","72","","633","636","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40","" "9001251","5.873","","5.873","","23.007","","90","","90","","120","","687.243","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","Magnetoplumbite","- Fe12 O19 Pb1.002 -","- Fe12 O19 Pb1.002 -","- Fe24 O38 Pb2.004 -","2","0.0833333","","Moore, P. B.; Sen Gupta, P. K.; Le Page, Y.","Magnetoplumbite, PbFe12O19: Refinement and lone-pair splitting Note: Symmetry constraints on U(i,j) for Fe5, O4 and O5 were incorrect, and likely were refined wrong. They have been replaced with their isotropic equivalents.","American Mineralogist","1989","74","","1186","1194","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41","" "9001572","5.952","","5.952","","33.379","","90","","90","","120","","1024.07","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","Lindqvistite","- Fe16.2 Mg0.98 O27 Pb1.818 -","- Fe16.2 Mg0.98 O27 Pb1.818 -","- Fe32.4 Mg1.96 O54 Pb3.636 -","2","0.0833333","","Holtstam, D.; Norrestam, R.","Lindqvistite, Pb2MeFe16O27, a novel hexagonal ferrite mineral from Jakobsberg, Filipstad, Sweden","American Mineralogist","1993","78","","1304","1312","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41","" "9001704","5.9356","","5.9356","","23.576","","90","","90","","120","","719.333","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","Plumboferrite","- Fe11 O18.19 Pb2 -","- Fe11 O18.19 Pb2.00004 -","- Fe22 O36.38 Pb4.00008 -","2","0.0833333","","Holtstam, D.; Norrestam, R.; Sjodin, A.","Plumboferrite: New mineralogical data and atomic arrangement","American Mineralogist","1995","80","","1065","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42","" "9001892","5.0612","","5.0612","","22.82","","90","","90","","120","","506.236","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","Lukechangite-(Ce)","- C4 Ce2 F Na14 O12 -","- C4 Ce2 F Na14 O12 -","- C8 Ce4 F2 Na28 O24 -","2","0.0833333","","Grice, J. D.; Chao, G. Y.","Lukechangite-(Ce), a new rare-earth-fluorocarbonate mineral from Mont Saint-Hilaire, Quebec Note: U(1,2) for Na1, O1, O2 and F changed to match symmetry constraints. Note: U(2,3) for O2 changed to match symmetry constraints.","American Mineralogist","1997","82","","1255","1260","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42","" "9001903","5.0905","","5.0905","","23.102","","90","","90","","120","","518.443","","","","","","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","Cordylite-(Ce)","- C4 Ba Ca Ce2 F Na O12 -","- C4 Ba Ca Ce2 F Na O12 -","- C8 Ba2 Ca2 Ce4 F2 Na2 O24 -","2","0.0833333","","Giester, G.; Ni, Y.; Jarosch, D.; Hughes, J. M.; Ronsbo, J. G.; Yang, Z.; Zemann, J.","Cordylite-(Ce): A crystal chemical investigation of material from four localities, including type material Sample: from Narssarssuk, Greenland, type sample, determined by the Vienna group refinement based on F2","American Mineralogist","1998","83","","178","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42","" "9001904","5.1011","","5.1011","","23.096","","90","","90","","120","","520.469","","","","","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","Cordylite-(Ce)","- C4 Ba Ce2 F Na O12 -","- C4 Ba Ce2 F Na O12 -","- C8 Ba2 Ce4 F2 Na2 O24 -","2","0.0833333","","Giester, G.; Ni, Y.; Jarosch, D.; Hughes, J. M.; Ronsbo, J. G.; Yang, Z.; Zemann, J.","Cordylite-(Ce): A crystal chemical investigation of material from four localities, including type material Sample: from Narssarssuk, Greenland, determined by the Vienna group, refinement based on F2","American Mineralogist","1998","83","","178","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42","" "9001905","5.09155","","5.09155","","23.07","","90","","90","","120","","517.939","","","","","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","Cordylite-(Ce)","- C4 Ba Ce2 F Na O12 -","- C4 Ba Ce2 F Na O12 -","- C8 Ba2 Ce4 F2 Na2 O24 -","2","0.0833333","","Giester, G.; Ni, Y.; Jarosch, D.; Hughes, J. M.; Ronsbo, J. G.; Yang, Z.; Zemann, J.","Cordylite-(Ce): A crystal chemical investigation of material from four localities, including type material Sample: from Narssarssuk, Greenland, determined by the Miami group, refinement based on F","American Mineralogist","1998","83","","178","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42","" "9001906","5.097","","5.097","","23.075","","90","","90","","120","","519.16","","","","","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","Cordylite-(Ce)","- C4 Ba Ce2 F Na O12 -","- C4 Ba Ce2 F Na O12 -","- C8 Ba2 Ce4 F2 Na2 O24 -","2","0.0833333","","Giester, G.; Ni, Y.; Jarosch, D.; Hughes, J. M.; Ronsbo, J. G.; Yang, Z.; Zemann, J.","Cordylite-(Ce): A crystal chemical investigation of material from four localities, including type material Sample: from Mont St. Hilaire, determined by the Vienna group, refinement based on F2","American Mineralogist","1998","83","","178","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42","" "9001907","5.09335","","5.09335","","23.049","","90","","90","","120","","517.833","","","","","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","Cordylite-(Ce)","- C4 Ba Ce2 F Na O12 -","- C4 Ba Ce2 F Na O12 -","- C8 Ba2 Ce4 F2 Na2 O24 -","2","0.0833333","","Giester, G.; Ni, Y.; Jarosch, D.; Hughes, J. M.; Ronsbo, J. G.; Yang, Z.; Zemann, J.","Cordylite-(Ce): A crystal chemical investigation of material from four localities, including type material Sample: from Mont St. Hilaire, determined by the Miami group, refinement based on F","American Mineralogist","1998","83","","178","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42","" "9001908","5.108","","5.108","","23.129","","90","","90","","120","","522.624","","","","","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","Cordylite-(Ce)","- C4 Ba Ce2 F Na O12 -","- C4 Ba Ce2 F Na O12 -","- C8 Ba2 Ce4 F2 Na2 O24 -","2","0.0833333","","Giester, G.; Ni, Y.; Jarosch, D.; Hughes, J. M.; Ronsbo, J. G.; Yang, Z.; Zemann, J.","Cordylite-(Ce): A crystal chemical investigation of material from four localities, including type material Sample: from Kola Pen., refinement based on F2","American Mineralogist","1998","83","","178","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42","" "9001909","5.109","","5.109","","23.289","","90","","90","","120","","526.445","","","","","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","Cordylite-(Ce)","- C4 Ba Ce2 F Na O12 -","- C4 Ba Ce2 F Na O12 -","- C8 Ba2 Ce4 F2 Na2 O24 -","2","0.0833333","","Giester, G.; Ni, Y.; Jarosch, D.; Hughes, J. M.; Ronsbo, J. G.; Yang, Z.; Zemann, J.","Cordylite-(Ce): A crystal chemical investigation of material from four localities, including type material Sample: from Bayan Obo, refinement based on F2","American Mineralogist","1998","83","","178","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42","" "9001940","13.339","","13.339","","15.112","","90","","90","","120","","2328.62","","","","","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","Erionite-Ca","- Al3.66 Ca2 H54.096 K O50.85 Si14.34 -","- Al3.66 Ca2 H29.7 K O50.85 Si14.34 -","- Al7.32 Ca4 H59.4 K2 O101.7 Si28.68 -","2","0.0833333","","Gualtieri, A.; Artioli, G.; Passaglia, E.; Bigi, S.; Viani, A.; Hanson, J. C.","Crystal structure-crystal chemistry relationships in the zeolites erionite and offretite Sample from Lady Hill","American Mineralogist","1998","83","","590","606","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08","" "9001941","13.264","","13.264","","15.067","","90","","90","","120","","2295.65","","","","","","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","Erionite-Ca","- Al3.954 Ca1.22 H72.096 K6 Mg0.26 O49.2 Si14.046 -","- Al3.954 Ca1.22 H26.4 K6 Mg0.26 O49.2 Si14.046 -","- Al7.908 Ca2.44 H52.8 K12 Mg0.52 O98.4 Si28.092 -","2","0.0833333","","Gualtieri A; Artioli G; Passaglia E; Bigi S; Viani A; Hanson J C","Crystal structure-crystal chemistry relationships in the zeolites erionite and offretite Sample from Shourdo","American Mineralogist","1998","83","","590","606","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42","" "9001942","13.304","","13.304","","15.078","","90","","90","","120","","2311.21","","","","","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","Erionite-Ca","- Al4.254 Ca1.8 H49.746 K0.85 O51.36 Si13.746 -","- Al4.254 Ca1.8 H30.72 K0.85 O51.36 Si13.746 -","- Al8.508 Ca3.6 H61.44 K1.7 O102.72 Si27.492 -","2","0.0833333","","Gualtieri, A.; Artioli, G.; Passaglia, E.; Bigi, S.; Viani, A.; Hanson, J. C.","Crystal structure-crystal chemistry relationships in the zeolites erionite and offretite Sample from Tunguska","American Mineralogist","1998","83","","590","606","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08","" "9001943","13.289","","13.289","","15.079","","90","","90","","120","","2306.15","","","","","","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","Erionite-Ca","- Al4.11 Ca1.36 H16.092 K0.87 Mg0.4 O53.58 Si13.89 -","- Al4.11 Ca1.36 H35.16 K0.87 Mg0.4 O53.58 Si13.89 -","- Al8.22 Ca2.72 H70.32 K1.74 Mg0.8 O107.16 Si27.78 -","2","0.0833333","","Gualtieri, A.; Artioli, G.; Passaglia, E.; Bigi, S.; Viani, A.; Hanson, J. C.","Crystal structure-crystal chemistry relationships in the zeolites erionite and offretite Sample from Agate Beach","American Mineralogist","1998","83","","590","606","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08","" "9001990","5.9369","","5.9369","","23.3445","","90","","90","","120","","712.582","","","","","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","Haggertyite","- Ba0.69 Fe5.86 K0.31 Mg0.72 O19 Ti5.42 -","- Ba0.69 Fe5.86 K0.31 Mg0.72 O19 Ti5.42 -","- Ba1.38 Fe11.72 K0.62 Mg1.44 O38 Ti10.84 -","2","0.0833333","","Grey, I. E.; Velde, D.; Criddle, A. J.","Haggertyite, a new magnetoplumbite-type titanate mineral from the Prairie Creek (Arkansas) lamproite","American Mineralogist","1998","83","","1323","1329","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:58","" "9002646","3.0725","","3.0725","","15.114","","90","","90","","120","","123.565","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","Zaccagnaite","- C H2 Al0.333 O5 Zn0.667 -","- C H2 Al0.33333 O5 Zn0.66667 -","- C2 H4 Al0.66666 O10 Zn1.33334 -","2","0.0833333","","Merlino, S.; Orlandi, P.","Carraraite and zaccagnaite, two new minerals from the Carrara marble quarries: their chemical compositions, physical properties and structural features","American Mineralogist","2001","86","","1293","1301","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9003721","18.2343","","18.2343","","7.6371","","90","","90","","120","","2199.06","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","Mazzite-Na","- H55.7 Na5.67 O47.48 Si18 -","- H22.96 Na5.67 O47.48 Si18 -","- H45.92 Na11.34 O94.96 Si36 -","2","0.0833333","","Arletti, R.; Galli, E.; Vezzalini, G.; Wise, W. S.","Mazzite-Na, a new zeolite from Boron, California: Its description and crystal structure Sample: US Borax Mine, Boron, Ca","American Mineralogist","2005","90","","1186","1191","10.2138/am.2005.1771","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08","" "9004070","2.952","","2.952","","4.773","","90","","90","","120","","36.021","","","","","","","","","","","","Hi-Ho mine, Cobalt, Ontario, Canada","3","P 63/m m c","-P 6c 2c","194","","","Allargentum","- Ag0.865 Hg0.001 Sb0.134 -","- Ag0.865 Hg0.001 Sb0.134 -","- Ag1.73 Hg0.002 Sb0.268 -","2","0.0833333","","Petruk, W.; Cabri, L. J.; Harris, D. C.; Stewart, J. M.; Clark, L. A.","Allargentum, redefined","The Canadian Mineralogist","1970","10","","163","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32","" "9004224","4.23","","4.23","","5.69","","90","","90","","120","","88.171","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","Sobolevskite","- Bi Pd -","- Bi Pd -","- Bi2 Pd2 -","2","0.0833333","","Bayliss, P.","Revised unit cell dimensions, space group, and chemical formua of some metallic minerals Note: cell edges taken from Handbook of Mineralogy","The Canadian Mineralogist","1990","28","","751","755","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41","" "9004227","3.983","","3.983","","5.339","","90","","90","","120","","73.352","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","Hexatestibiopanickelite","- Bi0.01 Ni0.69 Pd0.31 Sb0.49 Te0.5 -","- Bi0.01 Ni0.69 Pd0.31 Sb0.49 Te0.5 -","- Bi0.02 Ni1.38 Pd0.62 Sb0.98 Te -","2","0.0833333","","Bayliss, P.","Revised unit cell dimensions, space group, and chemical formua of some metallic minerals","The Canadian Mineralogist","1990","28","","751","755","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41","" "9004358","6.6733","","6.6733","","9.185","","90","","90","","120","","354.235","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","Claringbullite","- Cl Cu1.995 H3 O3 -","- Cl Cu1.995 H3 O3 -","- Cl4 Cu7.98 H12 O12 -","4","0.166667","","Burns, P. C.; Cooper, M. A.; Hawthorne, F. C.","Claringbullite: A Cu oxysalt with Cu in trigonal-prismatic coordination","The Canadian Mineralogist","1995","33","","633","639","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41","" "9004445","5.849","","5.849","","22.809","","90","","90","","120","","675.772","","","","","","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","Nezilovite","- Al Fe6.04 Mn2.52 O19 Pb Ti0.44 Zn1.9 -","- Al Fe6.04 Mn2.52 O19 Pb Ti0.44 Zn1.9 -","- Al2 Fe12.08 Mn5.04 O38 Pb2 Ti0.88 Zn3.8 -","2","0.0833333","","Bermanec, V.; Holtstam, D.; Sturman, D.; Criddle, A. J.; Back, M. E.; Scavnicar, S.","Nezilovite, a new member of the magnetoplumbite group, and the crystal chemistry of mognetoplumbite and hibonite","The Canadian Mineralogist","1996","34","","1287","1297","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41","" "9004446","5.902","","5.902","","23.185","","90","","90","","120","","699.417","","","","","","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","Magnetoplumbite","- Ba0.02 Fe9.37 Mg0.25 Mn1.8 O19 Pb0.98 Sb0.58 -","- Ba0.02 Fe9.37 Mg0.25 Mn1.8 O19 Pb0.98 Sb0.58 -","- Ba0.04 Fe18.74 Mg0.5 Mn3.6 O38 Pb1.96 Sb1.16 -","2","0.0833333","","Bermanec, V.; Holtstam, D.; Sturman, D.; Criddle, A. J.; Back, M. E.; Scavnicar, S.","Nezilovite, a new member of the magnetoplumbite group, and the crystal chemistry of mognetoplumbite and hibonite","The Canadian Mineralogist","1996","34","","1287","1297","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41","" "9004447","5.613","","5.613","","22.285","","90","","90","","120","","608.042","","","","","","","","","","","","","10","P 63/m m c","-P 6c 2c","194","","","Hibonite","- Al10.66 Ca0.85 Ce0.06 Fe0.3 La0.03 Mg0.53 Nd0.01 O19 Si0.06 Ti0.5 -","- Al10.66 Ca0.85 Ce0.06 Fe0.3 La0.03 Mg0.53 Nd0.01 O19 Si0.06 Ti0.5 -","- Al21.32 Ca1.7 Ce0.12 Fe0.6 La0.06 Mg1.06 Nd0.02 O38 Si0.12 Ti -","2","0.0833333","","Bermanec, V.; Holtstam, D.; Sturman, D.; Criddle, A. J.; Back, M. E.; Scavnicar, S.","Nezilovite, a new member of the magnetoplumbite group, and the crystal chemistry of mognetoplumbite and hibonite","The Canadian Mineralogist","1996","34","","1287","1297","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41","" "9004703","8.7805","","8.7805","","15.521","","90","","90","","120","","1036.31","","","","","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","Burnsite","- Cd Cl9 Cu7 K O8 Se2 -","- Cd Cl9 Cu7 K O8 Se2 -","- Cd2 Cl18 Cu14 K2 O16 Se4 -","2","0.0833333","","Burns, P. C.; Krivovichev, S. V.; Filatov, S. K.","New Cu coordination polyhedra in the crystal structure of burnsite, KCdCu7O2(SeO3)2Cl9","The Canadian Mineralogist","2002","40","","1587","1595","10.2113/gscanmin.40.6.1587","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005550","4.033","","4.033","","6.739","","90","","90","","120","","94.925","","","","573.15","","","","","","","","Synthetic","2","P 63/m m c","-P 6c 2c","194","","","Chalcocite","- Cu2.001 S -","- Cu2.001 S -","- Cu4.002 S2 -","2","0.0833333","","Will, G.; Hinze, E.; Abdelrahman, A. R. M.","Crystal structure analysis and refinement of digenite, Cu1.8S, in the temperature range 20 to 500 C under controlled sulfur partial pressure Sample: T = 300 C, sometimes called high-chalcocite","European Journal of Mineralogy","2002","14","","591","598","10.1127/0935-1221/2002/0014-0591","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9006656","2.347","","2.347","","3.797","","90","","90","","120","","18.113","","","","300","","","","61000000","","heated iron using third generation synchrotron X-ray radiation facility with imaging plate at high pressures Sample: epsilon iron phase: P = 61 GPa, T = 300 K","heated iron using third generation synchrotron X-ray radiation facility with imaging plate at high pressures Sample: epsilon iron phase: P = 61 GPa","","1","P 63/m m c","-P 6c 2c","194","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0833333","","Dubrovinsky, L. S.; Lazor, P.; Saxena, S. K.; Haggkvist, P.; Weber, H. P.; Le Bihan, T.; Hausermann, D.","Study of laser heated iron using third generation synchrotron X-ray radiation facility with imaging plate at high pressures Sample: epsilon iron phase: P = 61 GPa, T = 300 K","Physics and Chemistry of Minerals","1999","26","","539","545","10.1007/s002690050217","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006657","2.346","","2.346","","3.808","","90","","90","","120","","18.15","","","","1550","","","","61000000","","heated iron using third generation synchrotron X-ray radiation facility with imaging plate at high pressures Sample epsilon iron phase: P = 61 GPa, T = 1550 K","heated iron using third generation synchrotron X-ray radiation facility with imaging plate at high pressures Sample epsilon iron phase: P = 61 GPa","","1","P 63/m m c","-P 6c 2c","194","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0833333","","Dubrovinsky, L. S.; Lazor, P.; Saxena, S. K.; Haggkvist, P.; Weber, H. P.; Le Bihan, T.; Hausermann, D.","Study of laser heated iron using third generation synchrotron X-ray radiation facility with imaging plate at high pressures Sample epsilon iron phase: P = 61 GPa, T = 1550 K","Physics and Chemistry of Minerals","1999","26","","539","545","10.1007/s002690050217","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006693","5.4223","","5.4223","","12.7041","","90","","90","","120","","323.476","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Al4 Ca O11 Si2 -","- Al3.99999 Ca O11 Si2.00001 -","- Al7.99998 Ca2 O22 Si4.00002 -","2","0.0833333","","Gautron, L.; Angel, R. J.; Miletich, R.","Structural characterisation of the high-pressure phase CaAl4Si2O11 Note: Biso values altered to agree with the anisotropic values, as indicated by Ross Angel, March 2004","Physics and Chemistry of Minerals","1999","27","","47","51","10.1007/s002690050239","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007475","4.13","","4.13","","8.49","","90","","90","","120","","125.412","","","","","","","","","","","","Synthetic, preferred structure model","3","P 63/m m c","-P 6c 2c","194","","","Vaterite","- C Ca O3 -","- C0.99999 Ca O2.99997 -","- C1.99998 Ca2 O5.99994 -","2","0.0833333","","Kamhi, S. R.","On the structure of vaterite, CaCO3","Acta Crystallographica","1963","16","","770","772","10.1107/S0365110X63002000","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007660","3.161","","3.161","","12.295","","90","","90","","120","","106.392","","","","","","","","","","","","Synthetic","2","P 63/m m c","-P 6c 2c","194","","","Molybdenite","- Mo S2 -","- Mo S2 -","- Mo2 S4 -","2","0.0833333","","Schonfeld, B.; Huang, J. J.; Moss, S. C.","Anisotropic mean-square displacements (MSD) in single crystals of 2H- and 3R-MoS2 Note: 2H polytype, this is the most common in nature","Acta Crystallographica, Section B","1983","39","4","404","407","10.1107/S0108768183002645","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007782","3.354","","3.354","","14.431","","90","","90","","120","","140.59","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ag0.616 Nb S2 -","- Ag0.616 Nb S2 -","- Ag1.232 Nb2 S4 -","2","0.0833333","","Van der Lee, A.; Wiegers, A.; Haange, R. J.; de Boer, J. L.","Structure of Ag0.6NbS2","Acta Crystallographica, Section C","1990","46","","976","979","10.1107/S0108270189010942","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007784","4.254","","4.254","","8.542","","90","","90","","120","","133.871","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Mg2 Pt Si -","- Mg2 Pt Si -","- Mg4 Pt2 Si2 -","2","0.0833333","","Range, K. J.; Rau, F.; Klement, U.","Dimagnesium platinum silicon","Acta Crystallographica, Section C","1990","46","","1092","1093","10.1107/S0108270189014150","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007815","3.314","","3.314","","12.097","","90","","90","","120","","115.057","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- S2 Ta -","- S2 Ta -","- S4 Ta2 -","2","0.0833333","","Meetsma, A.; Wiegers, G. A.; Haange, R. J.; de Boer, J. L.","Structure of 2H-TaS2","Acta Crystallographica, Section C","1990","46","","1598","1599","10.1107/S0108270190000014","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9008137","5.893","","5.893","","23.194","","90","","90","","120","","697.556","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","Barioferrite","- Ba Fe12 O19 -","- Ba Fe12 O19 -","- Ba2 Fe24 O38 -","2","0.0833333","","Townes, W. D.; Fang, J. H.; Perrotta, A. J.","The crystal structure and refinement of ferrimagnetic barium ferrite, BaFe12O19","Zeitschrift fur Kristallographie","1967","125","","437","449","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05","" "9008144","5.5962","","5.5962","","22.526","","90","","90","","120","","610.944","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","Diaoyudaoite","- Al11 Na O17 -","- Al11 Na O17 -","- Al22 Na2 O34 -","2","0.0833333","","Felsche, J.","The alkali problem in the crystal structure of beta alumina","Zeitschrift fur Kristallographie","1968","127","","94","100","10.1524/zkri.1968.127.1-4.94","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05","" "9008300","5.294","","5.294","","13.355","","90","","90","","120","","324.147","","","","","","","","","","","","Synthetic","4","P 63/m m c","-P 6c 2c","194","","","Fairchildite","- C2 Ca K2 O6 -","- C2 Ca K2 O6 -","- C4 Ca2 K4 O12 -","2","0.0833333","","Pertlik, F.","Structural investigations of synthetic fairchildite, K2Ca(CO3)2 Note: y(O1) changed to satisfy symmetry constraints","Zeitschrift fur Kristallographie","1981","157","","199","205","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08","" "9008313","2.858","","2.858","","11.293","","90","","90","","120","","79.885","","","","","","","","","","","","Synthetic","3","P 63/m m c","-P 6c 2c","194","","","Delafossite","- Al Cu O2 -","- Al Cu O2 -","- Al2 Cu2 O4 -","2","0.0833333","","Kohler, B. U.; Jansen, M.","Synthesis and crystal structure of 2H-CuAlO2","Zeitschrift fur Kristallographie","1983","165","","313","314","10.1524/zkri.1983.165.1-4.313","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:58","" "9008368","3.796","","3.796","","16.382","","90","","90","","120","","204.433","","","","","","","","100000","","","","Kosaka mine, Akita Prefecture, Japan","2","P 63/m m c","-P 6c 2c","194","","","Covellite","- Cu S -","- Cu S -","- Cu6 S6 -","6","0.25","","Takeuchi, Y.; Kudoh, Y.; Sato, G.","The crystal structure of covellite CuS under high pressure up to 33 kbar Sample: P = 1 kbar","Zeitschrift fur Kristallographie","1985","173","","119","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:58","" "9008369","3.768","","3.768","","16.27","","90","","90","","120","","200.051","","","","","","","","1200000","","","","Kosaka mine, Akita Prefecture, Japan","2","P 63/m m c","-P 6c 2c","194","","","Covellite","- Cu S -","- Cu S -","- Cu6 S6 -","6","0.25","","Takeuchi, Y.; Kudoh, Y.; Sato, G.","The crystal structure of covellite CuS under high pressure up to 33 kbar Sample: P = 12 kbar","Zeitschrift fur Kristallographie","1985","173","","119","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:58","" "9008370","3.76","","3.76","","16.2","","90","","90","","120","","198.345","","","","","","","","1800000","","","","Kosaka mine, Akita Prefecture, Japan","2","P 63/m m c","-P 6c 2c","194","","","Covellite","- Cu S -","- Cu S -","- Cu6 S6 -","6","0.25","","Takeuchi, Y.; Kudoh, Y.; Sato, G.","The crystal structure of covellite CuS under high pressure up to 33 kbar Sample: P = 18 kbar","Zeitschrift fur Kristallographie","1985","173","","119","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:58","" "9008371","3.757","","3.757","","16.19","","90","","90","","120","","197.906","","","","","","","","2100000","","","","Kosaka mine, Akita Prefecture, Japan","2","P 63/m m c","-P 6c 2c","194","","","Covellite","- Cu S -","- Cu S -","- Cu6 S6 -","6","0.25","","Takeuchi, Y.; Kudoh, Y.; Sato, G.","The crystal structure of covellite CuS under high pressure up to 33 kbar Sample: P = 21 kbar","Zeitschrift fur Kristallographie","1985","173","","119","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008372","3.729","","3.729","","16.11","","90","","90","","120","","194.004","","","","","","","","3300000","","","","Kosaka mine, Akita Prefecture, Japan","2","P 63/m m c","-P 6c 2c","194","","","Covellite","- Cu S -","- Cu S -","- Cu6 S6 -","6","0.25","","Takeuchi, Y.; Kudoh, Y.; Sato, G.","The crystal structure of covellite CuS under high pressure up to 33 kbar Sample: P = 33 kbar","Zeitschrift fur Kristallographie","1985","173","","119","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008388","3.7917","","3.7917","","16.342","","90","","90","","120","","203.472","","","","295","","","","","","","","Synthetic","2","P 63/m m c","-P 6c 2c","194","","","Covellite","- Cu S -","- Cu S -","- Cu6 S6 -","6","0.25","","Fjellvag, H.; Gronvold, F.; Stolen, S.; Andresen, A. F.; Mueller-Kaefer R; Simon, A.","Low-temperature structural distortion in CuS Sample: T = 295 K","Zeitschrift fur Kristallographie","1988","184","","111","121","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008389","3.782","","3.782","","16.29","","90","","90","","120","","201.788","","","","55","","","","","","","","Synthetic","2","P 63/m m c","-P 6c 2c","194","","","Covellite","- Cu S -","- Cu S -","- Cu6 S6 -","6","0.25","","Fjellvag, H.; Gronvold, F.; Stolen, S.; Andresen, A. F.; Mueller-Kaefer R; Simon, A.","Low-temperature structural distortion in CuS Sample: T = 55 K Note: Cell parameters estimated from Figure 1","Zeitschrift fur Kristallographie","1988","184","","111","121","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008488","2.2866","","2.2866","","3.5833","","90","","90","","120","","16.225","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be -","- Be2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008489","3.98","","3.98","","6.52","","90","","90","","120","","89.443","","","","723.15","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Calcium-beta","","Calcium-beta","- Ca -","- Ca -","- Ca2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 450 C Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008490","2.97887","","2.97887","","5.61765","","90","","90","","120","","43.171","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","Cadmium","- Cd -","- Cd -","- Cd2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008491","3.65","","3.65","","5.96","","90","","90","","120","","68.764","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Cerium","","Cerium","- Ce -","- Ce -","- Ce2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008492","2.5071","","2.5071","","4.0686","","90","","90","","120","","22.147","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Cobalt","","Cobalt","- Co -","- Co -","- Co2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008493","2.722","","2.722","","4.427","","90","","90","","120","","28.406","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","Chromium","- Cr -","- Cr -","- Cr2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008494","3.584","","3.584","","5.668","","90","","90","","120","","63.052","","","","49","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Dysprosium","","Dysprosium","- Dy -","- Dy -","- Dy2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 49 K Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008495","3.5903","","3.5903","","5.6475","","90","","90","","120","","63.045","","","","293","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Dysprosium","","Dysprosium","- Dy -","- Dy -","- Dy2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 293 K Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008496","3.55","","3.55","","5.59","","90","","90","","120","","61.01","","","","43","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Erbium","","Erbium","- Er -","- Er -","- Er2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 43 K Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008498","3.629","","3.629","","5.796","","90","","90","","120","","66.105","","","","106","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Gadolinium","","Gadolinium","- Gd -","- Gd -","- Gd2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 106 K Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008499","3.636","","3.636","","5.7826","","90","","90","","120","","66.207","","","","293","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Gadolinium","","Gadolinium","- Gd -","- Gd -","- Gd2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 293 K Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008500","3.57","","3.57","","5.83","","90","","90","","120","","64.348","","","","2","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Helium","","Helium","- He -","- He -","- He2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 2 K Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008501","3.1967","","3.1967","","5.0578","","90","","90","","120","","44.761","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Hafnium","","Hafnium","- Hf -","- Hf -","- Hf2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008503","3.75","","3.75","","6.07","","90","","90","","120","","73.923","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Lanthanum","","Lanthanum","- La -","- La -","- La2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008506","3.20927","","3.20927","","5.21033","","90","","90","","120","","46.474","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Magnesium","","Magnesium","- Mg -","- Mg -","- Mg2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008508","3.657","","3.657","","5.902","","90","","90","","120","","68.356","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Neodymium","","Neodymium","- Nd -","- Nd -","- Nd2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008509","2.65","","2.65","","4.33","","90","","90","","120","","26.334","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Nickel","","","- Ni -","- Ni -","- Ni2 -","2","0.0833333","","Wyckoff R W G","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008510","2.7352","","2.7352","","4.319","","90","","90","","120","","27.983","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","Osmium","- Os -","- Os -","- Os2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008511","3.669","","3.669","","5.92","","90","","90","","120","","69.016","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Praseodymium","","Praseodymium","- Pr -","- Pr -","- Pr2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008512","2.7608","","2.7608","","4.4582","","90","","90","","120","","29.428","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","Rhenium","- Re -","- Re -","- Re2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008513","2.70389","","2.70389","","4.28168","","90","","90","","120","","27.11","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","Ruthenium","- Ru -","- Ru -","- Ru2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008515","4.32","","4.32","","7.06","","90","","90","","120","","114.105","","","","521","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Strontium","","Strontium","- Sr -","- Sr -","- Sr2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 521 K Hexagonal closest packed, hcp, structure, known as the beta phase","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008517","2.95","","2.95","","4.686","","90","","90","","120","","35.316","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Titanium","","Titanium","- Ti -","- Ti -","- Ti2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008518","3.438","","3.438","","5.478","","90","","90","","120","","56.074","","","","5","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Thallium","","Thallium","- Tl -","- Tl -","- Tl2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 5 K Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008519","3.456","","3.456","","5.525","","90","","90","","120","","57.149","","","","297","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Thallium","","Thallium","- Tl -","- Tl -","- Tl2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 297 K Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008522","2.6648","","2.6648","","4.9467","","90","","90","","120","","30.421","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","Zinc","- Zn -","- Zn -","- Zn2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008523","3.232","","3.232","","5.147","","90","","90","","120","","46.562","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Zirconium","","Zirconium","- Zr -","- Zr -","- Zr2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008524","3.474","","3.474","","11.25","","90","","90","","120","","117.583","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Americium","","Americium","- Am -","- Am -","- Am4 -","4","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Double hexagonal closest packed, dhcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008525","3.77","","3.77","","12.159","","90","","90","","120","","149.662","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Lanthanum","","Lanthanum","- La -","- La -","- La4 -","4","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Double hexagonal closest packed, dhcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008526","3.6579","","3.6579","","11.7992","","90","","90","","120","","136.725","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Neodymium","","Neodymium","- Nd -","- Nd -","- Nd4 -","4","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Double hexagonal closest packed, dhcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008527","3.6725","","3.6725","","11.8354","","90","","90","","120","","138.241","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Praseodymium","","Praseodymium","- Pr -","- Pr -","- Pr4 -","4","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Double hexagonal closest packed, dhcp, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008966","3.585","","3.585","","15.5","","90","","90","","120","","172.52","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ga S -","- Ga S -","- Ga4 S4 -","4","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29","" "9008967","4.05","","4.05","","16.93","","90","","90","","120","","240.49","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- In Se -","- In Se -","- In4 Se4 -","4","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29","" "9008968","3.742","","3.742","","15.919","","90","","90","","120","","193.043","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ga Se -","- Ga Se -","- Ga4 Se4 -","4","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29","" "9008969","3.513","","3.513","","11.75","","90","","90","","120","","125.581","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","Badengzhuite","- P Ti -","- P Ti -","- P4 Ti4 -","4","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29","" "9008970","3.804","","3.804","","12.867","","90","","90","","120","","161.246","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- As Zr -","- As Zr -","- As4 Zr4 -","4","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29","" "9008971","3.21","","3.21","","11.2","","90","","90","","120","","99.944","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- C S Ti2 -","- C S Ti2 -","- C2 S2 Ti4 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29","" "9008972","3.396","","3.396","","12.11","","90","","90","","120","","120.951","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- C S Zr2 -","- C S Zr2 -","- C2 S2 Zr4 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29","" "9008997","2.50399","","2.50399","","6.6612","","90","","90","","120","","36.17","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- B N -","- B N -","- B2 N2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29","" "9009144","3.1604","","3.1604","","12.295","","90","","90","","120","","106.351","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","Molybdenite","- Mo S2 -","- Mo S2 -","- Mo2 S4 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","280","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30","" "9009145","3.18","","3.18","","12.5","","90","","90","","120","","109.47","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","Tungstenite","- S2 W -","- S2 W -","- S4 W2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","280","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30","" "9009146","3.29","","3.29","","12.97","","90","","90","","120","","121.58","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Se2 W -","- Se2 W -","- Se4 W2 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","280","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30","" "9009147","3.5182","","3.5182","","13.9736","","90","","90","","120","","149.789","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mo Te2 -","- Mo Te2 -","- Mo2 Te4 -","2","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","280","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30","" "9009240","3.4395","","3.4395","","5.3514","","90","","90","","120","","54.826","","","","300","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ni S -","- Ni S -","- Ni2 S2 -","2","0.0833333","","Trahan, J.; Goodrich, R. G.; Watkins, S. F.","X-ray diffraction measurements on metallic and semiconducting hexagonal NiS Note: T = 300 K","Physical Review B","1970","2","","2859","2863","10.1103/PhysRevB.2.2859","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30","" "9009393","6.762","","6.762","","11.068","","90","","90","","120","","438.278","","","","403.15","","","","","","heated at T = 130 C for 1 day","","Terlingua, Brewster County, Texas, USA","6","P 63/m m c","-P 6c 2c","194","","","Kleinite","- Cl H20 Hg4 N2 O S -","- Cl H2 Hg4 N2 O S -","- Cl2 H4 Hg8 N4 O2 S2 -","2","0.0833333","","Giester, G.; Mikenda, W.; Pertlik, F.","Kleinite from Terlingua, Brewster County, Texas: Investigations by single crystal X-ray diffraction, and vibrational spectroscopy","Neues Jahrbuch fur Mineralogie, Monatshefte","1996","1996","","49","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10","" "9009421","15.739","","15.739","","9.127","","90","","90","","120","","1958","","","","","","","","","","","","Bisbee, Arizona, USA","5","P 63/m m c","-P 6c 2c","194","","","Buttgenbachite","- Cl4 Cu18 H57 N0.5 O37.2 -","- Cl4 Cu18 H34.2 N0.5 O36.6 -","- Cl8 Cu36 H68.4 N O73.2 -","2","0.0833333","","Hibbs, D. E.; Leverett, P.; Williams, P. A.","Buttgenbachite from Bisbee, Arizona, USA: A single-crystal X-ray study","Neues Jahrbuch fur Mineralogie, Monatshefte","2002","2002","","225","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","283912","2023-05-21","08:41:26","" "9009438","3.13","","3.13","","15.66","","90","","90","","120","","132.865","","","","","","","","","","","","Sweden","5","P 63/m m c","-P 6c 2c","194","","","Sjogrenite","- C0.125 H8 Fe0.25 Mg0.75 O2.875 -","- C0.125 H3.00002 Fe0.25 Mg0.75 O2.87501 -","- C0.25 H6.00004 Fe0.5 Mg1.5 O5.75002 -","2","0.0833333","","Ingram, L.; Taylor, H. F. W.","The crystal structures of sjoegrenite and pyroaurite","Mineralogical Magazine","1967","36","","465","479","10.1180/minmag.1967.036.280.01","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45","" "9009449","2.855","","2.855","","8.805","","90","","90","","120","","62.154","","","","","","","","","","","","Mindigi, Shaba, Zaire","3","P 63/m m c","-P 6c 2c","194","","","Heterogenite","- Co H O2 -","- Co H O2 -","- Co2 H2 O4 -","2","0.0833333","","Deliens, M.; Goethals, H.","Polytypism of heterogenite Note: polytype known as Heterogenite-2H","Mineralogical Magazine","1973","39","","152","157","10.1180/minmag.1973.039.302.03","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31","" "9009450","15.75","","15.75","","9.161","","90","","90","","120","","1968.04","","","","","","","","","","","","Likasi, Congo","5","P 63/m m c","-P 6c 2c","194","","","Buttgenbachite","- Cl3.35 Cu18.3 H33 N1.3 O36.9 -","- Cl3.35 Cu18.3 H33 N1.3 O36.9 -","- Cl6.7 Cu36.6 H66 N2.6 O73.8 -","2","0.0833333","","Fanfani, L.; Nunzi, A.; Zanazzi, P. F.; Zanzari, A. R.","The crystal structure of buttgenbachite","Mineralogical Magazine","1973","39","","264","270","10.1180/minmag.1973.039.303.02","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47","" "9009584","3.796","","3.796","","16.36","","90","","90","","120","","204.158","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","Covellite","- Cu S -","- Cu S -","- Cu6 S6 -","6","0.25","","Kalbskopf, R.; Pertlik, F.; Zemann, J.","Verfeinerung der kristallstruktur des covellins, CuS, mit einkristalldaten","Tschermaks Mineralogische und Petrographische Mitteilungen","1975","22","","242","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31","" "9009647","3.0575","","3.0575","","17.6235","","90","","90","","120","","142.678","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- C2 Si Ti3 -","- C2 Si Ti3 -","- C4 Si2 Ti6 -","2","0.0833333","","Kisi, E. H.; Crossley, J. A. A.; Myhra, S.; Barsoum, M. W.","Structure and crystal chemistry of Ti3SiC2 Note: a MAX phase","Journal of Physics and Chemistry of Solids","1998","59","","1437","1443","10.1016/S0022-3697(98)00226-1","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31","" "9009723","3.796","","3.796","","16.382","","90","","90","","120","","204.433","","","","","","","","","","","","Kosaka mine, Akita Prefecture, Japan","2","P 63/m m c","-P 6c 2c","194","","","Covellite","- Cu S -","- Cu S -","- Cu6 S6 -","6","0.25","","Ohmasa, M.; Suzuki, M.; Takeuchi, Y.","A refinement of the crystal structure of covellite, CuS","Mineralogical Journal","1977","8","","311","319","10.2465/minerj.8.311","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9009818","2.918","","2.918","","4.8113","","90","","90","","120","","35.478","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","Weishanite","- Au0.75 Hg0.25 -","- Au0.75 Hg0.25 -","- Au1.5 Hg0.5 -","2","0.0833333","","Rolfe, C.; Hume-Rothery W","The constitution of alloys of gold and mercury","Journal of the Less-Common Metals","1967","13","","1","10","10.1016/0022-5088(67)90041-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9009840","13.224","","13.224","","15.988","","90","","90","","120","","2421.31","","","","","","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","Bellbergite","- Al9 Ca3 H36 K O51 Si9 Sr -","- Al9 Ca3 H30 K0.99999 O51 Si9 Sr -","- Al18 Ca6 H60 K1.99998 O102 Si18 Sr2 -","2","0.0833333","","Ruedinger B; Tillmanns E; Hentschel G","Bellbergite - a new mineral with the zeolite structure type EAB","Mineralogy and Petrology","1993","48","","147","152","10.1007/BF01163093","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9009848","5.909","","5.909","","23.369","","90","","90","","120","","706.641","","","","","","","","","","","","Quaternary volcanic rocks of the western Eifel area, Germany","8","P 63/m m c","-P 6c 2c","194","","","Batiferrite","- Ba0.84 Fe9.363 K0.05 Mg0.305 Na0.06 O19 Sr0.05 Ti2.328 -","- Ba0.84 Fe9.363 K0.05 Mg0.305 Na0.06 O19 Sr0.05 Ti2.328 -","- Ba1.68 Fe18.726 K0.1 Mg0.61 Na0.12 O38 Sr0.1 Ti4.656 -","2","0.0833333","","Lengauer, C. L.; Tillmanns, E.; Hentschel, G.","Batiferrite, Ba[Ti2Fe10]O19, a new ferrimagnetic magnetoplumbite-type mineral from the Quaternary volcanic rocks of the western Eifel area, Germany Note: z-coordinate of A-site altered because it was obviously a typo Locality: Quaternary volcanic rocks of the western Eifel area, Germany","Mineralogy and Petrology","2001","71","","1","19","10.1007/s007100170042","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08","" "9009857","13.807","","13.807","","9.792","","90","","90","","120","","1616.59","","","","","","","","","","","","San Giorgio perlena, Fara Vincentina, Vicenza, Italy","5","P 63/m m c","-P 6c 2c","194","","","Gmelinite-Ca","- Al1.821 Ca1.25 H14 O17.94 Si4.179 -","- Al1.821 Ca0.89 H4.68 O14.34 Si4.179 -","- Al7.284 Ca3.56 H18.72 O57.36 Si16.716 -","4","0.166667","","Sacerdoti, M.; Passaglia, E.; Carnevali, R.","Structural refinements of Na-, K-, and Ca-exchanged gmelinites Note: sample 3Ca","Zeolites","1995","15","","276","281","10.1016/0144-2449(94)00024-M","","","","","","","","","","","","","","","","","","","","","has coordinates","285096","2023-07-08","08:53:35","" "9009858","13.766","","13.766","","10.076","","90","","90","","120","","1653.61","","","","","","","","","","","","Montecchio Maggiore, Vicenza, Italy","5","P 63/m m c","-P 6c 2c","194","","","Gmelinite-Na","- Al0.642 H6 Na0.9 O5.54 Si1.358 -","- Al0.6422 H2.4 Na0.673333 O5.2 Si1.3578 -","- Al7.7064 H28.8 Na8.08 O62.4 Si16.2936 -","12","0.5","","Sacerdoti, M.; Passaglia, E.; Carnevali, R.","Structural refinements of Na-, K-, and Ca-exchanged gmelinites Note: sample 1Na","Zeolites","1995","15","","276","281","10.1016/0144-2449(94)00024-M","","","","","","","","","","","","","","","","","","","","","has coordinates","285096","2023-07-08","08:53:35","" "9009859","13.687","","13.687","","10.256","","90","","90","","120","","1663.89","","","","","","","","","","","","Queensland, Australia","5","P 63/m m c","-P 6c 2c","194","","","Gmelinite-K","- Al1.84 H28 K2.86 O16.72 Si4.16 -","- Al1.8402 H6.42 K1.93 O15.21 Si4.1598 -","- Al7.3608 H25.68 K7.72 O60.84 Si16.6392 -","4","0.166667","","Sacerdoti, M.; Passaglia, E.; Carnevali, R.","Structural refinements of Na-, K-, and Ca-exchanged gmelinites Note: sample 2K","Zeolites","1995","15","","276","281","10.1016/0144-2449(94)00024-M","","","","","","","","","","","","","","","","","","","","","has coordinates","285096","2023-07-08","08:53:35","" "9009897","3.661","","3.661","","5.356","","90","","90","","120","","62.169","","","","","","","","","","","","Synthetic","2","P 63/m m c","-P 6c 2c","194","","","Sederholmite","- Ni0.99 Se1.01 -","- Ni0.99 Se1.01 -","- Ni1.98 Se2.02 -","2","0.0833333","","Rost, E.; Vestersjo, E.","On the system Ni-Se-Te Note: Phase F, sample 83","Acta Chemica Scandinavica","1968","22","","2118","2134","10.3891/acta.chem.scand.22-2118","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9009898","3.722","","3.722","","5.35","","90","","90","","120","","64.186","","","","","","","","","","","","Synthetic","3","P 63/m m c","-P 6c 2c","194","","","Sederholmite","- Ni0.984 Se0.816 Te0.2 -","- Ni0.984 Se0.816 Te0.2 -","- Ni1.968 Se1.632 Te0.4 -","2","0.0833333","","Rost, E.; Vestersjo, E.","On the system Ni-Se-Te Note: Phase F, sample 84","Acta Chemica Scandinavica","1968","22","","2118","2134","10.3891/acta.chem.scand.22-2118","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9009899","3.784","","3.784","","5.35","","90","","90","","120","","66.342","","","","","","","","","","","","Synthetic","3","P 63/m m c","-P 6c 2c","194","","","Sederholmite","- Ni0.976 Se0.624 Te0.4 -","- Ni0.976 Se0.624 Te0.4 -","- Ni1.952 Se1.248 Te0.8 -","2","0.0833333","","Rost, E.; Vestersjo, E.","On the system Ni-Se-Te Note: Phase F, sample 86","Acta Chemica Scandinavica","1968","22","","2118","2134","10.3891/acta.chem.scand.22-2118","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9009900","3.822","","3.822","","5.35","","90","","90","","120","","67.681","","","","","","","","","","","","Synthetic","3","P 63/m m c","-P 6c 2c","194","","","Sederholmite","- Ni0.98 Se0.51 Te0.51 -","- Ni0.98 Se0.51 Te0.51 -","- Ni1.96 Se1.02 Te1.02 -","2","0.0833333","","Rost, E.; Vestersjo, E.","On the system Ni-Se-Te Note: Phase F, sample 85","Acta Chemica Scandinavica","1968","22","","2118","2134","10.3891/acta.chem.scand.22-2118","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9009901","3.854","","3.854","","5.35","","90","","90","","120","","68.819","","","","","","","","","","","","Synthetic","3","P 63/m m c","-P 6c 2c","194","","","Imgreite","- Ni0.966 Se0.4 Te0.634 -","- Ni0.966 Se0.4 Te0.634 -","- Ni1.932 Se0.8 Te1.268 -","2","0.0833333","","Rost, E.; Vestersjo, E.","On the system Ni-Se-Te Note: Phase F, sample 87","Acta Chemica Scandinavica","1968","22","","2118","2134","10.3891/acta.chem.scand.22-2118","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9009902","3.909","","3.909","","5.35","","90","","90","","120","","70.797","","","","","","","","","","","","Synthetic","3","P 63/m m c","-P 6c 2c","194","","","Imgreite","- Ni0.96 Se0.2 Te0.84 -","- Ni0.96 Se0.2 Te0.84 -","- Ni1.92 Se0.4 Te1.68 -","2","0.0833333","","Rost, E.; Vestersjo, E.","On the system Ni-Se-Te Note: Phase F, sample 89","Acta Chemica Scandinavica","1968","22","","2118","2134","10.3891/acta.chem.scand.22-2118","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9009903","3.969","","3.969","","5.358","","90","","90","","120","","73.096","","","","","","","","","","","","Synthetic","2","P 63/m m c","-P 6c 2c","194","","","Imgreite","- Ni0.958 Te1.042 -","- Ni0.958 Te1.042 -","- Ni1.916 Te2.084 -","2","0.0833333","","Rost, E.; Vestersjo, E.","On the system Ni-Se-Te Note: Phase F, sample 90","Acta Chemica Scandinavica","1968","22","","2118","2134","10.3891/acta.chem.scand.22-2118","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9009937","5.5962","","5.5962","","22.526","","90","","90","","120","","610.944","","","","","","","","","","","","Synthetic","3","P 63/m m c","-P 6c 2c","194","","","Diaoyudaoite","- Al11 Na O17 -","- Al11 Na O17 -","- Al22 Na2 O34 -","2","0.0833333","","Felsche, J.","Zur kristallstruktur von beta-aluminiumoxid Note: x,y coordinates of O3 altered to produce a more reasonable structure","Naturwissenschaften","1967","54","","612","613","10.1007/BF00591419","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33","" "9009994","4.148","","4.148","","7.354","","90","","90","","120","","109.58","","","","","","","","","","","","Osterby, parish of Skedevi, Dalecarlia, Sweden","2","P 63/m m c","-P 6c 2c","194","","","Fluocerite-(La)","- F3 La -","- F3 La -","- F6 La2 -","2","0.0833333","","Schlyter, K.","On the crystal structure of fluorides of the tysonite LaF3 type","Arkiv for Kemi","1952","5","","73","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33","" "9009997","15.7866","","15.7866","","9.1015","","90","","90","","120","","1964.36","","","","","","","","","","","","Bisbee, Arizona, USA","6","P 63/m m c","-P 6c 2c","194","","","Connellite","- Cl0.827 Cu7.5 H27.75 N0.021 O28.487 S0.056 -","- Cl0.827 Cu7.5 H27.75 N0.021 O28.487 S0.056 -","- Cl1.654 Cu15 H55.5 N0.042 O56.974 S0.112 -","2","0.0833333","","Hibbs, D. E.; Leverett, P.; Williams, P. A.","Connellite from Bisbee, Arizona: A single-crystal X-ray study","Axis","2006","2","","1","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48","" "9010048","13.264","","13.264","","15.067","","90","","90","","120","","2295.65","","","","","","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","Erionite-Ca","- Al3.954 Ca1.22 H72.096 K Mg0.26 O49.2 Si14.046 -","- Al3.954 Ca1.22 H26.4 K Mg0.26 O49.2 Si14.046 -","- Al7.908 Ca2.44 H52.8 K2 Mg0.52 O98.4 Si28.092 -","2","0.0833333","","Gualtieri, A.; Artioli, G.; Passaglia, E.; Bigi, S.; Viani, A.; Hanson, J. C.","Crystal structure-crystal chemistry relationships in the zeolites erionite and offretite Sample from Shourdo","American Mineralogist","1998","83","","590","606","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10","" "9010193","5.1125","","5.1125","","12.3871","","90","","90","","120","","280.393","","","","","","","","48500000","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba O3 Si -","- Ba O3 Si -","- Ba6 O18 Si6 -","6","0.25","","Yusa, H.; Sata, N.; Ohishi, Y.","Rhombohedral (9R) and hexagonal (6H) perovskites in barium silicates under high pressure Sample: P = 48.5 GPa","American Mineralogist","2007","92","","648","654","10.2138/am.2007.2314","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010633","3.909","","3.909","","15.682","","90","","90","","120","","207.522","","","","","","","","","","","","Synthetic","3","P 63/m m c","-P 6c 2c","194","","","Vavrinite","- Ni2 Sb Te2 -","- Ni2 Sb Te2 -","- Ni4 Sb2 Te4 -","2","0.0833333","","Laufek, F.; Drabek, M.; Skala, R.; Haloda, J.; Taborsky, Z.; Cisarova, I.","Vavrinite, Ni2SbTe2, a new mineral species from the Kunratice Cu-Ni sulfide deposit, Czech Republic","The Canadian Mineralogist","2007","45","","1213","1219","10.2113/gscanmin.45.5.1213","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010967","2.5074","","2.5074","","4.0699","","90","","90","","120","","22.16","","","","","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Cobalt","","Cobalt","- Co -","- Co -","- Co2 -","2","0.0833333","","Taylor, A.; Floyd, R. W.","Precision measurements of lattice parameters of non-cubic crystals Sample: at T < 450 C","Acta Crystallographica","1950","3","","285","289","10.1107/S0365110X50000732","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9010984","3.6474","","3.6474","","5.7306","","90","","90","","120","","66.023","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Yttrium","","","- Y -","- Y -","- Y2 -","2","0.0833333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.4% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9010985","3.309","","3.309","","5.2733","","90","","90","","120","","50.004","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Scandium","","","- Sc -","- Sc -","- Sc2 -","2","0.0833333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.6% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9010986","3.77","","3.77","","12.159","","90","","90","","120","","149.662","","","","","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Lanthanum","","Lanthanum","- La -","- La -","- La2 -","2","0.0833333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Note: sample 99.8% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9010988","3.6725","","3.6725","","11.8354","","90","","90","","120","","138.241","","","","","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Praseodymium","","Praseodymium","- Pr -","- Pr -","- Pr2 -","2","0.0833333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Note: sample 99.9% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9010989","3.6579","","3.6579","","11.7992","","90","","90","","120","","136.725","","","","","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Neodymium","","Neodymium","- Nd -","- Nd -","- Nd2 -","2","0.0833333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Note: sample 99.8% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9010991","3.636","","3.636","","5.7826","","90","","90","","120","","66.207","","","","","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Gadolinium","","Gadolinium","- Gd -","- Gd -","- Gd2 -","2","0.0833333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Note: sample 99.7% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9010992","3.601","","3.601","","5.6936","","90","","90","","120","","63.939","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Terbium","","","- Tb -","- Tb -","- Tb2 -","2","0.0833333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.9% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9010993","3.5903","","3.5903","","5.6475","","90","","90","","120","","63.045","","","","","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Dysprosium","","Dysprosium","- Dy -","- Dy -","- Dy2 -","2","0.0833333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Note: sample 99.8% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9010994","3.5773","","3.5773","","5.6158","","90","","90","","120","","62.238","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Holmium","","","- Ho -","- Ho -","- Ho2 -","2","0.0833333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.4% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9010995","3.5588","","3.5588","","5.5874","","90","","90","","120","","61.284","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Erbium","","","- Er -","- Er -","- Er2 -","2","0.0833333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.8% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9010996","3.5375","","3.5375","","5.5546","","90","","90","","120","","60.197","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Thulium","","","- Tm -","- Tm -","- Tm2 -","2","0.0833333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.9% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9010998","3.5031","","3.5031","","5.5509","","90","","90","","120","","58.993","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Lutetium","","","- Lu -","- Lu -","- Lu2 -","2","0.0833333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.9% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9010999","3.621","","3.621","","26.25","","90","","90","","120","","298.069","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Samarium","","","- Sm -","- Sm -","- Sm2 -","2","0.0833333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9011000","3.767","","3.767","","6.154","","90","","90","","120","","75.627","","","","5","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Sodium","","","- Na -","- Na -","- Na2 -","2","0.0833333","","Barrett, C. S.","X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 5 K Note: lattice parameters are average of 4 values","Acta Crystallographica","1956","9","","671","677","10.1107/S0365110X56001790","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9011003","3.111","","3.111","","5.093","","90","","90","","120","","42.688","","","","78","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Lithium","","","- Li -","- Li -","- Li2 -","2","0.0833333","","Barrett, C. S.","X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 78 K Note: lattice parameters are average of 4 values","Acta Crystallographica","1956","9","","671","677","10.1107/S0365110X56001790","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9011270","5.5929","","5.5929","","22.526","","90","","90","","120","","610.223","","","","","","","","","","","","Synthetic","3","P 63/m m c","-P 6c 2c","194","","","Diaoyudaoite","- Al11 Na1.221 O17.111 -","- Al11 Na1.221 O17.111 -","- Al22 Na2.442 O34.222 -","2","0.0833333","","Edstrom, K.; Thomas, J. O.; Farrington, G. C.","Structural aspects of the Na+ -> Cd2+ ion-exchange process in Na+ beta-alumina Locality: synthetic Sample: y = 0 Note: anisoB's from ICSD","Acta Crystallographica, Section B","1991","47","5","635","643","10.1107/S0108768191003075","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47","" "9011271","5.5921","","5.5921","","22.526","","90","","90","","120","","610.049","","","","","","","","","","","","Synthetic","4","P 63/m m c","-P 6c 2c","194","","","Diaoyudaoite","- Al11 Cd0.105 Na1.008 O17.111 -","- Al11 Cd0.105 Na1.008 O17.111 -","- Al22 Cd0.21 Na2.016 O34.222 -","2","0.0833333","","Edstrom, K.; Thomas, J. O.; Farrington, G. C.","Structural aspects of the Na+ -> Cd2+ ion-exchange process in Na+ beta-alumina Locality: synthetic Sample: y = .21 Note: anisoB's from ICSD","Acta Crystallographica, Section B","1991","47","5","635","643","10.1107/S0108768191003075","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47","" "9011272","5.5906","","5.5906","","22.519","","90","","90","","120","","609.532","","","","","","","","","","","","Synthetic","4","P 63/m m c","-P 6c 2c","194","","","Diaoyudaoite","- Al11 Cd0.222 Na0.774 O17.111 -","- Al11 Cd0.222 Na0.774 O17.111 -","- Al22 Cd0.444 Na1.548 O34.222 -","2","0.0833333","","Edstrom, K.; Thomas, J. O.; Farrington, G. C.","Structural aspects of the Na+ -> Cd2+ ion-exchange process in Na+ beta-alumina Locality: synthetic Note: anisoB's from ICSD Sample: y = .45","Acta Crystallographica, Section B","1991","47","5","635","643","10.1107/S0108768191003075","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47","" "9011273","5.5869","","5.5869","","22.37","","90","","90","","120","","604.698","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al11 Cd0.615 O17.111 -","- Al11 Cd0.615 O17.111 -","- Al22 Cd1.23 O34.222 -","2","0.0833333","","Edstrom, K.; Thomas, J. O.; Farrington, G. C.","Structural aspects of the Na+ -> Cd2+ ion-exchange process in Na+ beta-alumina Note: anisoB's from ICSD Sample: y = 1.22","Acta Crystallographica, Section B","1991","47","5","635","643","10.1107/S0108768191003075","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47","" "9011345","3.595","","3.595","","5.845","","90","","90","","120","","65.42","","","","300","","","","2940000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","","","Nitrogen","- N2 -","- N1.99998 -","- N7.99992 -","4","0.166667","","Schiferl, D.; Cromer, D. T.; Ryan, R. R.; Larson, A. C.; LeSar, R.; Mills, R. L.","Structure of N2 at 2.94 GPa and 300 K Sample: at T = 300 K and P = 2.94 GPa","Acta Crystallographica, Section C","1983","39","","1151","1153","10.1107/S0108270183007726","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47","" "9011566","2.659","","2.659","","4.334","","90","","90","","120","","26.537","","","","300","","","","5400000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","","","Hydrogen","- H -","- H2 -","- H2 -","","","","Mao, H. K.; Jephcoat, A. P.; Hemley, R. J.; Finger, L. W.; Zha, C. S.; Hazen, R. M.; Cox, D. E.","Synchrotron X-ray diffraction measurements of single-crystal hydrogen to 26.5 Gigapascals Sample: at P = 5.40 GPa, T = 300 K","Science","1988","239","","1131","1133","10.1126/science.239.4844.1131","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011567","2.5058","","2.5058","","4.074","","90","","90","","120","","22.154","","","","300","","","","10100000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","","","Hydrogen","- H -","- H2 -","- H2 -","","","","Mao, H. K.; Jephcoat, A. P.; Hemley, R. J.; Finger, L. W.; Zha, C. S.; Hazen, R. M.; Cox, D. E.","Synchrotron X-ray diffraction measurements of single-crystal hydrogen to 26.5 Gigapascals Sample: at P = 10.1 GPa, T = 300 K","Science","1988","239","","1131","1133","10.1126/science.239.4844.1131","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011568","2.393","","2.393","","3.885","","90","","90","","120","","19.267","","","","300","","","","15000000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","","","Hydrogen","- H -","- H2 -","- H2 -","","","","Mao, H. K.; Jephcoat, A. P.; Hemley, R. J.; Finger, L. W.; Zha, C. S.; Hazen, R. M.; Cox, D. E.","Synchrotron X-ray diffraction measurements of single-crystal hydrogen to 26.5 Gigapascals Sample: at P = 15.0 GPa, T = 300 K","Science","1988","239","","1131","1133","10.1126/science.239.4844.1131","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011569","2.308","","2.308","","3.703","","90","","90","","120","","17.083","","","","300","","","","21400000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","","","Hydrogen","- H -","- H2 -","- H2 -","","","","Mao, H. K.; Jephcoat, A. P.; Hemley, R. J.; Finger, L. W.; Zha, C. S.; Hazen, R. M.; Cox, D. E.","Synchrotron X-ray diffraction measurements of single-crystal hydrogen to 26.5 Gigapascals Sample: at P = 21.4 GPa, T = 300 K","Science","1988","239","","1131","1133","10.1126/science.239.4844.1131","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011570","2.259","","2.259","","3.609","","90","","90","","120","","15.95","","","","300","","","","26500000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","","","Hydrogen","- H -","- H2 -","- H2 -","","","","Mao, H. K.; Jephcoat, A. P.; Hemley, R. J.; Finger, L. W.; Zha, C. S.; Hazen, R. M.; Cox, D. E.","Synchrotron X-ray diffraction measurements of single-crystal hydrogen to 26.5 Gigapascals Sample: at P = 26.5 GPa, T = 300 K","Science","1988","239","","1131","1133","10.1126/science.239.4844.1131","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011574","2.714","","2.714","","4.41","","90","","90","","120","","28.131","","","","","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","","","Chromium","- Cr -","- Cr2 -","- Cr2 -","","","","Bradley, A. J.; Ollard, E. F.","Allotropy of chromium","Nature","1926","117","","122","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011577","2.464","","2.464","","6.711","","90","","90","","120","","35.286","","","","","","","","","","","","undefined","1","P 63/m m c","-P 6c 2c","194","","","Graphite","- C -","- C4 -","- C4 -","","","","Trucano, P.; Chen, R.","Structure of graphite by neutron diffraction Note: natural crystals","Nature","1975","258","","136","137","10.1038/258136a0","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:29","" "9011599","2.67","","2.67","","4.966","","90","","90","","120","","30.659","","","","","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Zinc","","Zinc","- Zn -","- Zn2 -","- Zn2 -","","","","Hull, A. W.; Davey, W. P.","Graphical determination of hexagonal and tetragonal crystal structures from X-ray data","Physical Review","1921","17","","549","570","10.1103/PhysRev.17.549","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011600","2.97","","2.97","","4.72","","90","","90","","120","","36.057","","","","","","","","","","","","synthetic, known as the alpha phase","1","P 63/m m c","-P 6c 2c","194","Titanium","","Titanium","- Ti -","- Ti4 -","- Ti4 -","","","","Hull, A. W.","Crystal structure of titanium, zirconium, cerium, thorium and osmium","Physical Review","1921","18","","88","89","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011614","4.539","","4.539","","11.829","","90","","90","","120","","211.057","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Bismuth","","Bismuth","- Bi -","- Bi -","- Bi2 -","2","0.0833333","","Davey, W. P.","Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2","Physical Review","1925","25","","753","761","10.1103/PhysRev.25.753","","","","","","","","","","","","","","","","","","","","","has coordinates","264647","2021-04-28","11:19:17","" "9011615","2.519","","2.519","","4.091","","90","","90","","120","","22.481","","","","","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Cobalt","","Cobalt","- Co -","- Co2 -","- Co2 -","","","","Marick, L.","Variation of resistance and structure of cobalt with temperature and a discussion of its photoelectric emission Sample: at room T Note: cell edge a is average of photographs 1 & 2","Physical Review","1936","49","","831","837","10.1103/PhysRev.49.831","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011616","2.527","","2.527","","4.119","","90","","90","","120","","22.779","","","","568.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Cobalt","","Cobalt","- Co -","- Co2 -","- Co2 -","","","","Marick, L.","Variation of resistance and structure of cobalt with temperature and a discussion of its photoelectric emission Sample: at T = 295 C Note: photograph 3","Physical Review","1936","49","","831","837","10.1103/PhysRev.49.831","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011617","2.536","","2.536","","4.136","","90","","90","","120","","23.036","","","","693.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Cobalt","","Cobalt","- Co -","- Co2 -","- Co2 -","","","","Marick, L.","Variation of resistance and structure of cobalt with temperature and a discussion of its photoelectric emission Sample: at T = 420 C Note: photograph 4","Physical Review","1936","49","","831","837","10.1103/PhysRev.49.831","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011630","3.53","","3.53","","5.76","","90","","90","","120","","62.159","","","","1.1","","","","7000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Helium","","Helium","- He -","- He2 -","- He2 -","","","","Henshaw, D. G.","Structure of solid helium by neutron diffraction Sample: at T = 1.1 K and P = .007 GPa","Physical Review","1958","109","","328","330","10.1103/PhysRev.109.328","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011632","3.46","","3.46","","5.6","","90","","90","","120","","58.059","","","","3.3","","","","18000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Helium","","Helium","- He -","- He2 -","- He2 -","","","","Schuch, A. F.; Grilly, E. R.; Mills, R. L.","Structure of the alpha and beta forms of solid He Sample: at T = 3.3 K & P = .018 GPa Note: structure known as the beta form","Physical Review","1958","110","","775","775","10.1103/PhysRev.110.775","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011637","3.046","","3.046","","4.986","","90","","90","","120","","40.063","","","","15.98","","","","136000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Helium","","Helium","- He -","- He2 -","- He2 -","","","","Schuch, A. F.; Mills, R. L.","New allotropic form of He3 Sample: at T = 15.98 K & P = .136 GPa","Physical Review Letters","1961","6","","596","597","10.1103/PhysRevLett.6.596","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011639","3.65","","3.65","","5.945","","90","","90","","120","","68.591","","","","1.73","","","","3000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Helium","","Helium","- He -","- He2 -","- He2 -","","","","Schuch, A. F.; Mills, R. L.","Structure of the gamma form of solid He4 Sample: at T = 1.73 K & P = .003 GPa","Physical Review Letters","1962","8","","469","470","10.1103/PhysRevLett.8.469","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011704","3.3088","","3.3088","","5.268","","90","","90","","120","","49.948","","","","","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Scandium","","Scandium","- Sc -","- Sc2 -","- Sc2 -","","","","Saw, C. K.; Beaudry, B. J.; Stassis, C.","Location of deuterium in alpha-scandium","Physical Review B - Condensed Matter","1983","27","","7013","7017","10.1103/PhysRevB.27.7013","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011740","4.212","","4.212","","5.114","","90","","90","","120","","78.572","","","","","","","","","","","","Rio Tamana, Choco district, Colombia","3","P 63/m m c","-P 6c 2c","194","","","Stistaite","- Cu Sb0.115 Sn0.835 -","- Cu2 Sb0.23 Sn1.67 -","- Cu2 Sb0.23 Sn1.67 -","","","","Rose, D.","New data for stistaite and antimony-bearing n-Cu6Sn5 from Rio Tamana, Colombia Locality: Rio Tamana, Choco district, Colombia","Neues Jahrbuch fur Mineralogie, Monatshefte","1981","1981","","117","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:57","" "9011786","13.26","","13.26","","15.12","","90","","90","","120","","2302.34","","","","","","","","","","","","Durkee opal mine, Swayze Creek, Baker County, Oregon, USA","3","P 63/m m c","-P 6c 2c","194","","","Erionite-K","- Al0.25 O2 Si0.75 -","- Al9 O72 Si27 -","- Al9 O72 Si27 -","","","","Staples, L. W.; Gard, J. A.","The fibrous zeolite erionite; its occurrence, unit cell, and structure Note: K atom was not located","Mineralogical Magazine","1959","32","","261","281","10.1180/minmag.1959.032.247.01","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:58","" "9012001","3.2093","","3.2093","","5.2103","","90","","90","","120","","46.474","","","","298.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Magnesium","","Magnesium","- Mg -","- Mg -","- Mg2 -","2","0.0833333","","Straumanis, M. E.","The precision determination of lattice constants by the powder and rotation crystal methods and applications Sample: at T = 25 C","Journal of Applied Physics","1949","20","","726","734","10.1063/1.1698520","","","","","","","","","","","","","","","","","","","","","has coordinates","282053","2023-03-24","19:01:40","" "9012006","4.5459","","4.5459","","11.86225","","90","","90","","120","","212.294","","","","298.15","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Bismuth","","Bismuth","- Bi -","- Bi -","- Bi2 -","2","0.0833333","","Straumanis, M. E.","The precision determination of lattice constants by the powder and rotation crystal methods and applications Locality: synthetic Sample: at T = 25 C","Journal of Applied Physics","1949","20","","726","734","10.1063/1.1698520","","","","","","","","","","","","","","","","","","","","","has coordinates","264409","2021-04-22","10:57:39","" "9012007","2.2858","","2.2858","","3.5842","","90","","90","","120","","16.218","","","","297.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Gordon, P.","A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 24 C","Journal of Applied Physics","1949","20","","908","917","10.1063/1.1698252","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012008","2.2858","","2.2858","","3.5843","","90","","90","","120","","16.219","","","","298.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Gordon, P.","A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 25 C","Journal of Applied Physics","1949","20","","908","917","10.1063/1.1698252","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012009","2.2858","","2.2858","","3.5843","","90","","90","","120","","16.219","","","","299.65","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Gordon, P.","A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 26.5 C","Journal of Applied Physics","1949","20","","908","917","10.1063/1.1698252","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012010","2.2871","","2.2871","","3.586","","90","","90","","120","","16.245","","","","347.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Gordon, P.","A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 74 C","Journal of Applied Physics","1949","20","","908","917","10.1063/1.1698252","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012011","2.2875","","2.2875","","3.5865","","90","","90","","120","","16.253","","","","368.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Gordon, P.","A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 95 C","Journal of Applied Physics","1949","20","","908","917","10.1063/1.1698252","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012012","2.29","","2.29","","3.589","","90","","90","","120","","16.3","","","","420.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Gordon, P.","A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 147 C","Journal of Applied Physics","1949","20","","908","917","10.1063/1.1698252","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012013","2.2923","","2.2923","","3.5918","","90","","90","","120","","16.345","","","","488.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Gordon, P.","A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 215 C","Journal of Applied Physics","1949","20","","908","917","10.1063/1.1698252","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012014","2.2932","","2.2932","","3.593","","90","","90","","120","","16.363","","","","512.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Gordon, P.","A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 239 C","Journal of Applied Physics","1949","20","","908","917","10.1063/1.1698252","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012015","2.2958","","2.2958","","3.5959","","90","","90","","120","","16.414","","","","566.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Gordon, P.","A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 293 C","Journal of Applied Physics","1949","20","","908","917","10.1063/1.1698252","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012016","2.2982","","2.2982","","3.5994","","90","","90","","120","","16.464","","","","633.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Gordon, P.","A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 360 C","Journal of Applied Physics","1949","20","","908","917","10.1063/1.1698252","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012017","2.2995","","2.2995","","3.6009","","90","","90","","120","","16.49","","","","658.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Gordon, P.","A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 385 C","Journal of Applied Physics","1949","20","","908","917","10.1063/1.1698252","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012018","2.3008","","2.3008","","3.6027","","90","","90","","120","","16.516","","","","696.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Gordon, P.","A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 423 C","Journal of Applied Physics","1949","20","","908","917","10.1063/1.1698252","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012019","2.3043","","2.3043","","3.6067","","90","","90","","120","","16.585","","","","769.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Gordon, P.","A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 496 C","Journal of Applied Physics","1949","20","","908","917","10.1063/1.1698252","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012020","2.3078","","2.3078","","3.6105","","90","","90","","120","","16.653","","","","840.65","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Gordon, P.","A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 567.5 C","Journal of Applied Physics","1949","20","","908","917","10.1063/1.1698252","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012021","2.3091","","2.3091","","3.6127","","90","","90","","120","","16.682","","","","874.65","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Gordon, P.","A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 601.5 C","Journal of Applied Physics","1949","20","","908","917","10.1063/1.1698252","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012022","2.314","","2.314","","3.619","","90","","90","","120","","16.782","","","","968.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Gordon, P.","A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 695 C","Journal of Applied Physics","1949","20","","908","917","10.1063/1.1698252","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012023","2.3148","","2.3148","","3.6199","","90","","90","","120","","16.798","","","","989.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Gordon, P.","A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 716 C","Journal of Applied Physics","1949","20","","908","917","10.1063/1.1698252","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012024","2.3189","","2.3189","","3.6251","","90","","90","","120","","16.882","","","","1066.65","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Gordon, P.","A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 793.5 C","Journal of Applied Physics","1949","20","","908","917","10.1063/1.1698252","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012025","2.3193","","2.3193","","3.6255","","90","","90","","120","","16.889","","","","1080.65","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Gordon, P.","A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 807.5 C","Journal of Applied Physics","1949","20","","908","917","10.1063/1.1698252","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012026","2.3241","","2.3241","","3.622","","90","","90","","120","","16.943","","","","1168.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Gordon, P.","A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 895 C","Journal of Applied Physics","1949","20","","908","917","10.1063/1.1698252","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012027","2.3241","","2.3241","","3.622","","90","","90","","120","","16.943","","","","1174.65","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Gordon, P.","A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 901.5 C","Journal of Applied Physics","1949","20","","908","917","10.1063/1.1698252","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012028","2.3249","","2.3249","","3.6227","","90","","90","","120","","16.958","","","","1177.65","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Gordon, P.","A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 904.5 C","Journal of Applied Physics","1949","20","","908","917","10.1063/1.1698252","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012029","2.3298","","2.3298","","3.6296","","90","","90","","120","","17.062","","","","1262.65","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Gordon, P.","A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 989.5 C","Journal of Applied Physics","1949","20","","908","917","10.1063/1.1698252","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012030","2.33","","2.33","","3.6297","","90","","90","","120","","17.065","","","","1277.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Gordon, P.","A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 1004 C","Journal of Applied Physics","1949","20","","908","917","10.1063/1.1698252","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012031","2.33","","2.33","","3.6294","","90","","90","","120","","17.064","","","","1286.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Gordon, P.","A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 1013 C","Journal of Applied Physics","1949","20","","908","917","10.1063/1.1698252","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012032","2.2858","","2.2858","","3.5843","","90","","90","","120","","16.219","","","","","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Yang, Y. W.; Coppens, P.","The electron density and bonding in beryllium metal as studied by Fourier methods","Acta Crystallographica Section A","1978","34","1","61","65","10.1107/S0567739478000121","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012033","2.28","","2.28","","3.6","","90","","90","","120","","16.207","","","","","","","","1000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Ming, L. C.; Manghnani, M. H.","Isothermal compression and phase transition in beryllium to 28.3 GPa Sample: at P = .001 GPa Note: BeI phase","Journal of Physics F: Metal Physics","1984","14","","1","8","10.1088/0305-4608/14/1/003","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012034","2.2526","","2.2526","","3.5064","","90","","90","","120","","15.408","","","","","","","","5000000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Ming, L. C.; Manghnani, M. H.","Isothermal compression and phase transition in beryllium to 28.3 GPa Sample: at P = 5 GPa Note: BeI phase","Journal of Physics F: Metal Physics","1984","14","","1","8","10.1088/0305-4608/14/1/003","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012035","2.2504","","2.2504","","3.4776","","90","","90","","120","","15.252","","","","","","","","8600000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Ming, L. C.; Manghnani, M. H.","Isothermal compression and phase transition in beryllium to 28.3 GPa Sample: at P = 8.6 GPa Note: BeI phase","Journal of Physics F: Metal Physics","1984","14","","1","8","10.1088/0305-4608/14/1/003","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012036","2.2207","","2.2207","","3.4488","","90","","90","","120","","14.729","","","","","","","","11500000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Ming, L. C.; Manghnani, M. H.","Isothermal compression and phase transition in beryllium to 28.3 GPa Sample: at P = 11.5 GPa Note: BeI phase","Journal of Physics F: Metal Physics","1984","14","","1","8","10.1088/0305-4608/14/1/003","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012037","4.4278","","4.4278","","3.474","","90","","90","","120","","58.984","","","","","","","","14500000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Ming, L. C.; Manghnani, M. H.","Isothermal compression and phase transition in beryllium to 28.3 GPa Sample: at P = 14.5 GPa Note: BeII phase, slightly distorded HCP","Journal of Physics F: Metal Physics","1984","14","","1","8","10.1088/0305-4608/14/1/003","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012038","4.4004","","4.4004","","3.402","","90","","90","","120","","57.049","","","","","","","","19500000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Ming, L. C.; Manghnani, M. H.","Isothermal compression and phase transition in beryllium to 28.3 GPa Sample: at P = 19.5 GPa Note: BeII phase, slightly distorded HCP","Journal of Physics F: Metal Physics","1984","14","","1","8","10.1088/0305-4608/14/1/003","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012039","4.3799","","4.3799","","3.3912","","90","","90","","120","","56.339","","","","","","","","22000000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Ming, L. C.; Manghnani, M. H.","Isothermal compression and phase transition in beryllium to 28.3 GPa Sample: at P = 22 GPa Note: BeII phase, slightly distorded HCP","Journal of Physics F: Metal Physics","1984","14","","1","8","10.1088/0305-4608/14/1/003","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012040","4.3571","","4.3571","","3.402","","90","","90","","120","","55.932","","","","","","","","25500000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Ming, L. C.; Manghnani, M. H.","Isothermal compression and phase transition in beryllium to 28.3 GPa Sample: at P = 25.5 GPa Note: BeII phase, slightly distorded HCP","Journal of Physics F: Metal Physics","1984","14","","1","8","10.1088/0305-4608/14/1/003","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012041","4.389","","4.389","","3.3768","","90","","90","","120","","56.334","","","","","","","","28300000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Ming, L. C.; Manghnani, M. H.","Isothermal compression and phase transition in beryllium to 28.3 GPa Sample: at P = 28.3 GPa Note: BeII phase, slightly distorded HCP","Journal of Physics F: Metal Physics","1984","14","","1","8","10.1088/0305-4608/14/1/003","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012191","3.1532","","3.1532","","12.323","","90","","90","","120","","106.108","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","Tungstenite","- S2 W -","- S4 W2 -","- S4 W2 -","","","","Schutte, W. J.; de Boer, J. L.; Jellinek, F.","Crystal structures of tungsten disulfide and diselenide Sample: 2H polytype","Journal of Solid State Chemistry","1987","70","","207","209","10.1016/0022-4596(87)90057-0","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:36","" "9012193","3.282","","3.282","","12.96","","90","","90","","120","","120.896","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","WSe2","- Se2 W -","- Se4 W2 -","- Se4 W2 -","","","","Schutte, W. J.; de Boer, J. L.; Jellinek, F.","Crystal structures of tungsten disulfide and diselenide","Journal of Solid State Chemistry","1987","70","","207","209","10.1016/0022-4596(87)90057-0","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:39","" "9012268","3.9158","","3.9158","","5.2011","","90","","90","","120","","69.066","","","","","","","","","","","","Synthetic","3","P 63/m m c","-P 6c 2c","194","","","Hexatestibiopanickelite","- Ni0.766 Sb0.5 Te0.5 -","- Ni1.532 Sb Te -","- Ni1.532 Sb Te -","","","","Foecker, A. J.; Jeitschko, W.","The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)","Journal of Solid State Chemistry","2001","162","","69","78","10.1006/jssc.2001.9342","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:46","" "9012404","4","","4","","6.53","","90","","90","","120","","90.482","","","","26","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Krypton","","Krypton","- Kr -","- Kr2 -","- Kr2 -","","","","Sonnenblick, Y.; Alexander, E.; Kalman, Z. H.; Steinberger, I. T.","Hexagonal close packed krypton and xenon Sample: at T = 26 K","Chemical Physics Letters","1977","52","","276","278","10.1016/0009-2614(77)80540-X","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012405","4.34","","4.34","","7.09","","90","","90","","120","","115.653","","","","26","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Xenon","","Xenon","- Xe -","- Xe2 -","- Xe2 -","","","","Sonnenblick, Y.; Alexander, E.; Kalman, Z. H.; Steinberger, I. T.","Hexagonal close packed krypton and xenon Sample: at T = 26 K","Chemical Physics Letters","1977","52","","276","278","10.1016/0009-2614(77)80540-X","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012434","3.203","","3.203","","5.2002","","90","","90","","120","","46.202","","","","298.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Magnesium","","Magnesium","- Mg -","- Mg -","- Mg2 -","2","0.0833333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of four samples","Journal of Chemical Physics","1935","3","","605","616","10.1063/1.1749562","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012435","2.6594","","2.6594","","4.9368","","90","","90","","120","","30.237","","","","298.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","","","Zinc","- Zn -","- Zn -","- Zn2 -","2","0.0833333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of three samples","Journal of Chemical Physics","1935","3","","605","616","10.1063/1.1749562","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012436","2.9731","","2.9731","","5.6069","","90","","90","","120","","42.921","","","","298.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","","","Cadmium","- Cd -","- Cd -","- Cd2 -","2","0.0833333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of two samples","Journal of Chemical Physics","1935","3","","605","616","10.1063/1.1749562","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012437","4.5372","","4.5372","","11.8381","","90","","90","","120","","211.052","","","","298.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","","","Bismuth","- Bi -","- Bi -","- Bi2 -","2","0.0833333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of three samples","Journal of Chemical Physics","1935","3","","605","616","10.1063/1.1749562","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59","" "9012470","2.52","","2.52","","4.12","","90","","90","","120","","22.658","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","Lonsdaleite","- C -","- C4 -","- C4 -","","","","Bundy, F. P.; Kasper, J. S.","Hexagonal diamond-a new form of carbon","Journal of Chemical Physics","1967","46","","3437","3446","10.1063/1.1841236","","","","","","","","","","","","","","","","","","","","","has coordinates","287550","2023-11-11","17:51:30","" "9012476","4.05","","4.05","","6.604","","90","","90","","120","","93.81","","","","46","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Nitrogen","","Nitrogen","- N2 -","- N4 -","- N4 -","","","","Schuch, A. F.; Mills, R. L.","Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 46 K Note: beta phase","Journal of Chemical Physics","1970","52","","6000","6008","10.1063/1.1672899","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012477","3.967","","3.967","","6.496","","90","","90","","120","","88.532","","","","46.5","","","","148400","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Nitrogen","","Nitrogen","- N2 -","- N4 -","- N4 -","","","","Schuch, A. F.; Mills, R. L.","Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 46.5 K and P = .1484 GPa Note: beta phase","Journal of Chemical Physics","1970","52","","6000","6008","10.1063/1.1672899","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012478","3.924","","3.924","","6.356","","90","","90","","120","","84.756","","","","49","","","","281800","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Nitrogen","","Nitrogen","- N2 -","- N4 -","- N4 -","","","","Schuch, A. F.; Mills, R. L.","Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 49 K and P = .2818 GPa Note: beta phase","Journal of Chemical Physics","1970","52","","6000","6008","10.1063/1.1672899","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012479","3.861","","3.861","","6.265","","90","","90","","120","","80.882","","","","49","","","","418000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Nitrogen","","Nitrogen","- N2 -","- N4 -","- N4 -","","","","Schuch, A. F.; Mills, R. L.","Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 49 K and P = .4180 GPa Note: beta phase","Journal of Chemical Physics","1970","52","","6000","6008","10.1063/1.1672899","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012589","2.5221","","2.5221","","4.1186","","90","","90","","120","","22.688","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Carbon","","Carbon","- C -","- C4 -","- C4 -","","","","Ownby, P. D.; Yang, X.; Liu, J.","Calculated X-ray diffraction data for diamond polytypes Note: hexagonal, 2H structure known as lonsdaleite Note: theoretically calculated structure values","Journal of the American Ceramic Society","1992","75","","1876","1883","10.1111/j.1151-2916.1992.tb07211.x","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:05","" "9012590","2.5221","","2.5221","","8.2371","","90","","90","","120","","45.376","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Carbon","","Carbon","- C -","- C8 -","- C8 -","","","","Ownby, P. D.; Yang, X.; Liu, J.","Calculated X-ray diffraction data for diamond polytypes Note: hexagonal, 4H structure Note: theoretically calculated structure values","Journal of the American Ceramic Society","1992","75","","1876","1883","10.1111/j.1151-2916.1992.tb07211.x","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:05","" "9012591","2.5221","","2.5221","","12.3557","","90","","90","","120","","68.065","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Carbon","","Carbon","- C -","- C12 -","- C12 -","","","","Ownby, P. D.; Yang, X.; Liu, J.","Calculated X-ray diffraction data for diamond polytypes Note: hexagonal, 6H structure Note: theoretically calculated structure values","Journal of the American Ceramic Society","1992","75","","1876","1883","10.1111/j.1151-2916.1992.tb07211.x","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:05","" "9012592","2.5221","","2.5221","","16.4743","","90","","90","","120","","90.753","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Carbon","","Carbon","- C -","- C16 -","- C16 -","","","","Ownby, P. D.; Yang, X.; Liu, J.","Calculated X-ray diffraction data for diamond polytypes Note: hexagonal, 8H structure Note: theoretically calculated structure values","Journal of the American Ceramic Society","1992","75","","1876","1883","10.1111/j.1151-2916.1992.tb07211.x","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:05","" "9012725","3.011","","3.011","","4.855","","90","","90","","90","","44.016","","","","","","","","92000000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Cesium","","Cesium","- Cs -","- Cs2 -","- Cs2 -","","","","Takemura, K.; Shimomura, O.; Fujihisa, H.","Cs(VI): a new high-pressure polymorph of cesium above 72 GPa Sample: at P = 92 GPa Note: stable above P = 72 GPa Note: known as cesium-VI","Physical Review Letters","1991","66","","2014","2017","10.1103/PhysRevLett.66.2014","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012728","4.28","","4.28","","7.05","","90","","90","","120","","111.843","","","","498.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Strontium","","Strontium","- Sr -","- Sr2 -","- Sr2 -","","","","Hirst, R. G.; King, A. J.; Kanda, F. A.","The barium-strontium equilibrium system Sample: at T = 225 C note: known as gamma-strontium","Journal of Physical Chemistry","1956","60","","302","304","10.1021/j150537a011","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012730","4","","4","","6.5","","90","","90","","120","","90.067","","","","688.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Calcium","","Calcium","- Ca -","- Ca2 -","- Ca2 -","","","","Schottmiller, J. C.; King, A. J.; Kanda, F. A.","The calcium-strontium metal phase system Sample: at T = 415 C","Journal of Physical Chemistry","1958","62","","1446","1449","10.1021/j150569a024","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012763","5.8846","","5.8846","","23.175","","90","","90","","120","","694.999","","","","","","","","","","","","Synthetic","5","P 63/m m c","-P 6c 2c","194","","","Batiferrite","- Ba Co0.856 Fe10.288 O19 Ti0.856 -","- Ba2 Co1.712 Fe20.576 O38 Ti1.712 -","- Ba2 Co1.712 Fe20.576 O38 Ti1.712 -","","","","Krezhov, K.; Somogyvari, Z.; Meszaros, G.; Svab, E.; Nedkov, I.; Bouree, F.","Neutron powder diffraction study of (Co,Ti)-substituted fine-particle Ba-hexaferrite","Applied Physics A","2002","74","","S1086","S1088","10.1007/s003390201556","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:12","" "9012907","3.796","","3.796","","6.163","","90","","90","","120","","76.909","","","","13.7","","","","2100","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H -","- H2 -","- H2 -","","","","Vindryevsky, B. A.; Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.","Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar Sample: P = .0021 GPa, T = 13.7 K","Physics Letters","1980","","","355","358","10.1016/0375-9601(80)90518-6","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012908","3.745","","3.745","","6.101","","90","","90","","120","","74.103","","","","15.6","","","","7900","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H -","- H2 -","- H2 -","","","","Vindryevsky, B. A.; Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.","Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar Sample: P = .0079 GPa, T = 15.6 K","Physics Letters","1980","","","355","358","10.1016/0375-9601(80)90518-6","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012909","3.67","","3.67","","5.971","","90","","90","","120","","69.648","","","","14.9","","","","28000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H -","- H2 -","- H2 -","","","","Vindryevsky, B. A.; Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.","Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar Sample: P = .028 GPa, T = 14.9 K","Physics Letters","1980","","","355","358","10.1016/0375-9601(80)90518-6","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012910","3.582","","3.582","","5.826","","90","","90","","120","","64.737","","","","15.3","","","","56000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H -","- H2 -","- H2 -","","","","Vindryevsky, B. A.; Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.","Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar Sample: P = .056 GPa, T = 15.3 K","Physics Letters","1980","","","355","358","10.1016/0375-9601(80)90518-6","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012911","3.444","","3.444","","5.603","","90","","90","","120","","57.554","","","","17.3","","","","140000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H -","- H2 -","- H2 -","","","","Vindryevsky, B. A.; Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.","Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar Sample: P = .14 GPa, T = 17.3 K","Physics Letters","1980","","","355","358","10.1016/0375-9601(80)90518-6","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012912","3.313","","3.313","","5.383","","90","","90","","120","","51.168","","","","30","","","","280000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H -","- H2 -","- H2 -","","","","Vindryevsky, B. A.; Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.","Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar Sample: P = .28 GPa, T = 30 K","Physics Letters","1980","","","355","358","10.1016/0375-9601(80)90518-6","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012913","3.308","","3.308","","5.377","","90","","90","","120","","50.957","","","","16.6","","","","300000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H -","- H2 -","- H2 -","","","","Vindryevsky, B. A.; Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.","Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar Sample: P = .3 GPa, T = 16.6 K","Physics Letters","1980","","","355","358","10.1016/0375-9601(80)90518-6","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012914","3.216","","3.216","","5.219","","90","","90","","120","","46.747","","","","16.6","","","","480000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H -","- H2 -","- H2 -","","","","Vindryevsky, B. A.; Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.","Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar Sample: P = .48 GPa, T = 16.6 K","Physics Letters","1980","","","355","358","10.1016/0375-9601(80)90518-6","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012915","3.223","","3.223","","5.234","","90","","90","","120","","47.085","","","","57.4","","","","500000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H -","- H2 -","- H2 -","","","","Vindryevsky, B. A.; Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.","Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar Sample: P = .5 GPa, T = 57.4 K","Physics Letters","1980","","","355","358","10.1016/0375-9601(80)90518-6","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012919","2.444","","2.444","","4.152","","90","","90","","120","","21.478","","","","","","","","43000000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Silicon","","Silicon","- Si -","- Si2 -","- Si2 -","","","","Olijnyk, H.; Sikka, S. K.; Holzapfel, W. B.","Structural phase transitions in Si and Ge under pressures up to 50 GPa Sample: at P = 43 GPa Note: phase VII, structure stable above 43 GPa","Physics Letters","1984","","","137","140","10.1016/0375-9601(84)90219-6","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:22","" "9012950","2.5054","","2.5054","","4.0893","","90","","90","","120","","22.23","","","","291.15","","","","","","quenched from above 450 C","","synthetic rod","1","P 63/m m c","-P 6c 2c","194","Cobalt","","Cobalt","- Co -","- Co2 -","- Co2 -","","","","Owen, E. A.; Madoc Jones, D.","Effect of grain size on the crystal structure of cobalt Sample: at T = 18 C Note: quenched from above 450 C","Proceedings of the Physical Society of London","1954","67","","459","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013007","2.622","","2.622","","4.321","","90","","90","","120","","25.726","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","Nickel","- Ni -","- Ni2 -","- Ni2 -","","","","Weik, H.; Hemenger, P.","Existence of the hexagonal modification of nickel Locality: synthetic","Bulletin of the American Physical Society","1965","10","","1140","1140","","","","","","","","","","","","","","","","","","","","","","has coordinates","287548","2023-11-11","13:26:52","" "9013011","3.33","","3.33","","5.23","","90","","90","","120","","50.225","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","Antimony","- Sb -","- Sb2 -","- Sb2 -","","","","Akhtar, D.; Vankar, V. D.; Goel, T. C.; Chopra, K. L.","Metastable structures of liquid-quenched and vapour-quenched antimony films Locality: synthetic Note: liquid-quenched specimen Note: HCP structure resulted from electron beam heating of the tetragonal, FCC and SC structures","Journal of Materials Science","1979","14","","988","994","","","","","","","","","","","","","","","","","","","","","","has coordinates","287548","2023-11-11","13:26:52","" "9013054","3.2017","","3.2017","","5.1986","","90","","90","","120","","46.151","","","","283.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Magnesium","","Magnesium","- Mg -","- Mg2 -","- Mg2 -","","","","Raynor, G. V.; Hume-Rothery W","A technique for the X-ray powder photography of reactive metals and alloys with special reference to the lattice spacing of magnesium at high temperatures Locality: synthetic Sample: at T = 10 C Note: experiment #4","Journal of the Institute of Metals","1939","65","","477","485","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013055","3.2032","","3.2032","","5.201","","90","","90","","120","","46.215","","","","300.85","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Magnesium","","Magnesium","- Mg -","- Mg2 -","- Mg2 -","","","","Raynor, G. V.; Hume-Rothery W","A technique for the X-ray powder photography of reactive metals and alloys with special reference to the lattice spacing of magnesium at high temperatures Locality: synthetic Sample: at T = 27.7 C Note: experiment #6","Journal of the Institute of Metals","1939","65","","477","485","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013056","3.2035","","3.2035","","5.2015","","90","","90","","120","","46.228","","","","303.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Magnesium","","Magnesium","- Mg -","- Mg2 -","- Mg2 -","","","","Raynor, G. V.; Hume-Rothery W","A technique for the X-ray powder photography of reactive metals and alloys with special reference to the lattice spacing of magnesium at high temperatures Locality: synthetic Sample: at T = 30 C Note: experiment #1","Journal of the Institute of Metals","1939","65","","477","485","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013057","3.2036","","3.2036","","5.2017","","90","","90","","120","","46.233","","","","304.55","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Magnesium","","Magnesium","- Mg -","- Mg2 -","- Mg2 -","","","","Raynor, G. V.; Hume-Rothery W","A technique for the X-ray powder photography of reactive metals and alloys with special reference to the lattice spacing of magnesium at high temperatures Locality: synthetic Sample: at T = 31.4 C Note: experiment #7","Journal of the Institute of Metals","1939","65","","477","485","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013058","3.2147","","3.2147","","5.2203","","90","","90","","120","","46.72","","","","433.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Magnesium","","Magnesium","- Mg -","- Mg2 -","- Mg2 -","","","","Raynor, G. V.; Hume-Rothery W","A technique for the X-ray powder photography of reactive metals and alloys with special reference to the lattice spacing of magnesium at high temperatures Locality: synthetic Sample: at T = 160 C Note: experiment #2","Journal of the Institute of Metals","1939","65","","477","485","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013059","3.2278","","3.2278","","5.2423","","90","","90","","120","","47.301","","","","583.65","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Magnesium","","Magnesium","- Mg -","- Mg2 -","- Mg2 -","","","","Raynor, G. V.; Hume-Rothery W","A technique for the X-ray powder photography of reactive metals and alloys with special reference to the lattice spacing of magnesium at high temperatures Locality: synthetic Sample: at T = 310.5 C Note: experiment #3","Journal of the Institute of Metals","1939","65","","477","485","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013060","3.242","","3.242","","5.2663","","90","","90","","120","","47.936","","","","728.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Magnesium","","Magnesium","- Mg -","- Mg2 -","- Mg2 -","","","","Raynor, G. V.; Hume-Rothery W","A technique for the X-ray powder photography of reactive metals and alloys with special reference to the lattice spacing of magnesium at high temperatures Locality: synthetic Sample: at T = 455 C Note: experiment #5","Journal of the Institute of Metals","1939","65","","477","485","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013061","3.2485","","3.2485","","5.2772","","90","","90","","120","","48.228","","","","779.95","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Magnesium","","Magnesium","- Mg -","- Mg2 -","- Mg2 -","","","","Raynor, G. V.; Hume-Rothery W","A technique for the X-ray powder photography of reactive metals and alloys with special reference to the lattice spacing of magnesium at high temperatures Locality: synthetic Sample: at T = 506.8 C Note: experiment #8","Journal of the Institute of Metals","1939","65","","477","485","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013062","3.2599","","3.2599","","5.296","","90","","90","","120","","48.74","","","","870.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Magnesium","","Magnesium","- Mg -","- Mg2 -","- Mg2 -","","","","Raynor, G. V.; Hume-Rothery W","A technique for the X-ray powder photography of reactive metals and alloys with special reference to the lattice spacing of magnesium at high temperatures Locality: synthetic Sample: at T = 597 C Note: experiment #9","Journal of the Institute of Metals","1939","65","","477","485","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013073","3.782","","3.782","","6.167","","90","","90","","120","","76.392","","","","4.2","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H2 -","- H4 -","- H4 -","","","","Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Vindryevsky, B. A.; Sukhoparov, V. A.; Telepnev, A. S.; Kobelyev, G. V.","Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at T = 4.2 K Note: known as para-hydrogen","Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki","1983","84","","394","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013074","3.767","","3.767","","6.136","","90","","90","","120","","75.406","","","","4.2","","","","2760","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H2 -","- H4 -","- H4 -","","","","Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Vindryevsky, B. A.; Sukhoparov, V. A.; Telepnev, A. S.; Kobelyev, G. V.","Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at P = .00276 GPa & T = 4.2 K Note: known as para-hydrogen","Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki","1983","84","","394","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013075","3.761","","3.761","","6.154","","90","","90","","120","","75.387","","","","4.2","","","","2350","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H2 -","- H4 -","- H4 -","","","","Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Vindryevsky, B. A.; Sukhoparov, V. A.; Telepnev, A. S.; Kobelyev, G. V.","Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at P = .00235 GPa & T = 4.2 K Note: known as para-hydrogen","Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki","1983","84","","394","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013076","3.755","","3.755","","6.119","","90","","90","","120","","74.719","","","","4.2","","","","4880","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H2 -","- H4 -","- H4 -","","","","Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Vindryevsky, B. A.; Sukhoparov, V. A.; Telepnev, A. S.; Kobelyev, G. V.","Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at P = .00488 GPa & T = 4.2 K Note: known as para-hydrogen","Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki","1983","84","","394","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013077","3.72","","3.72","","6.078","","90","","90","","120","","72.841","","","","4.2","","","","10240","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H2 -","- H4 -","- H4 -","","","","Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Vindryevsky, B. A.; Sukhoparov, V. A.; Telepnev, A. S.; Kobelyev, G. V.","Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at P = .01024 GPa & T = 4.2 K Note: known as para-hydrogen","Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki","1983","84","","394","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013078","3.713","","3.713","","6.056","","90","","90","","120","","72.305","","","","4.2","","","","12940","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H2 -","- H4 -","- H4 -","","","","Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Vindryevsky, B. A.; Sukhoparov, V. A.; Telepnev, A. S.; Kobelyev, G. V.","Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at P = .01294 GPa & T = 4.2 K Note: known as para-hydrogen","Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki","1983","84","","394","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013079","3.661","","3.661","","5.972","","90","","90","","120","","69.319","","","","8.3","","","","25300","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H2 -","- H4 -","- H4 -","","","","Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Vindryevsky, B. A.; Sukhoparov, V. A.; Telepnev, A. S.; Kobelyev, G. V.","Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at P = .0253 GPa & T = 8.3 K Note: known as para-hydrogen","Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki","1983","84","","394","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013080","3.659","","3.659","","5.975","","90","","90","","120","","69.278","","","","8.5","","","","25200","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H2 -","- H4 -","- H4 -","","","","Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Vindryevsky, B. A.; Sukhoparov, V. A.; Telepnev, A. S.; Kobelyev, G. V.","Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at P = .0252 GPa & T = 8.5 K Note: known as para-hydrogen","Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki","1983","84","","394","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013081","3.619","","3.619","","5.905","","90","","90","","120","","66.977","","","","8.6","","","","38100","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H2 -","- H4 -","- H4 -","","","","Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Vindryevsky, B. A.; Sukhoparov, V. A.; Telepnev, A. S.; Kobelyev, G. V.","Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at P = .0381 GPa & T = 8.6 K Note: known as para-hydrogen","Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki","1983","84","","394","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013082","3.591","","3.591","","5.863","","90","","90","","120","","65.476","","","","10","","","","48800","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H2 -","- H4 -","- H4 -","","","","Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Vindryevsky, B. A.; Sukhoparov, V. A.; Telepnev, A. S.; Kobelyev, G. V.","Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at P = .0488 GPa & T = 10.0 K Note: known as para-hydrogen","Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki","1983","84","","394","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013083","3.435","","3.435","","5.594","","90","","90","","120","","57.162","","","","17.3","","","","140000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H2 -","- H4 -","- H4 -","","","","Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Vindryevsky, B. A.; Sukhoparov, V. A.; Telepnev, A. S.; Kobelyev, G. V.","Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at P = .140 GPa & T = 17.3 K Note: known as para-hydrogen","Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki","1983","84","","394","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013084","3.3","","3.3","","5.366","","90","","90","","120","","50.607","","","","16.6","","","","300000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H2 -","- H4 -","- H4 -","","","","Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Vindryevsky, B. A.; Sukhoparov, V. A.; Telepnev, A. S.; Kobelyev, G. V.","Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at P = .300 GPa & T = 16.6 K Note: known as para-hydrogen","Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki","1983","84","","394","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013085","3.207","","3.207","","5.206","","90","","90","","120","","46.37","","","","16.6","","","","480000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H2 -","- H4 -","- H4 -","","","","Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Vindryevsky, B. A.; Sukhoparov, V. A.; Telepnev, A. S.; Kobelyev, G. V.","Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at P = .480 GPa & T = 16.6 K Note: known as para-hydrogen","Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki","1983","84","","394","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013086","3.119","","3.119","","5.086","","90","","90","","120","","42.849","","","","16","","","","700000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H2 -","- H4 -","- H4 -","","","","Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Vindryevsky, B. A.; Sukhoparov, V. A.; Telepnev, A. S.; Kobelyev, G. V.","Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at P = .70 GPa & T = 16.0 K Note: known as para-hydrogen","Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki","1983","84","","394","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013087","3.059","","3.059","","4.993","","90","","90","","120","","40.462","","","","16.5","","","","940000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H2 -","- H4 -","- H4 -","","","","Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Vindryevsky, B. A.; Sukhoparov, V. A.; Telepnev, A. S.; Kobelyev, G. V.","Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at P = .94 GPa & T = 16.5 K Note: known as para-hydrogen","Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki","1983","84","","394","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013088","2.998","","2.998","","4.893","","90","","90","","120","","38.086","","","","16.8","","","","1190000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H2 -","- H4 -","- H4 -","","","","Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Vindryevsky, B. A.; Sukhoparov, V. A.; Telepnev, A. S.; Kobelyev, G. V.","Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at P = 1.19 GPa & T = 16.8 K Note: known as para-hydrogen","Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki","1983","84","","394","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013089","2.979","","2.979","","4.853","","90","","90","","120","","37.298","","","","16.2","","","","1380000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H2 -","- H4 -","- H4 -","","","","Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Vindryevsky, B. A.; Sukhoparov, V. A.; Telepnev, A. S.; Kobelyev, G. V.","Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at P = 1.38 GPa & T = 16.2 K Note: known as para-hydrogen","Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki","1983","84","","394","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013090","2.953","","2.953","","4.809","","90","","90","","120","","36.317","","","","16.5","","","","1510000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H2 -","- H4 -","- H4 -","","","","Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Vindryevsky, B. A.; Sukhoparov, V. A.; Telepnev, A. S.; Kobelyev, G. V.","Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at P = 1.51 GPa & T = 16.5 K Note: known as para-hydrogen","Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki","1983","84","","394","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013091","2.929","","2.929","","4.78","","90","","90","","120","","35.514","","","","16.4","","","","1690000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H2 -","- H4 -","- H4 -","","","","Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Vindryevsky, B. A.; Sukhoparov, V. A.; Telepnev, A. S.; Kobelyev, G. V.","Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at P = 1.69 GPa & T = 16.4 K Note: known as para-hydrogen","Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki","1983","84","","394","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013092","2.85","","2.85","","4.64","","90","","90","","120","","32.639","","","","25.5","","","","2400000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Hydrogen","","Hydrogen","- H2 -","- H4 -","- H4 -","","","","Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Vindryevsky, B. A.; Sukhoparov, V. A.; Telepnev, A. S.; Kobelyev, G. V.","Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at P = 2.40 GPa & T = 25.5 K Note: known as para-hydrogen","Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki","1983","84","","394","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013464","4.2995","","4.2995","","11.2515","","90","","90","","120","","180.126","","","","298.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Antimony","","Antimony","- Sb -","- Sb -","- Sb2 -","2","0.0833333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Sample: at T = 25C Note: sample 1","Journal of Chemical Physics","1935","3","","605","616","10.1063/1.1749562","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36","" "9013676","13.22794","","13.22794","","15.06946","","90","","90","","120","","2283.56","","","","","","","","","","","","Rome, Oregon, USA","9","P 63/m m c","-P 6c 2c","194","","","Erionite-K","- Al3.378 Ca0.54 H78 K1.381 Mg1.116 Mn0.012 Na1.254 O53.466 Si14.622 -","- Al3.378 Ca0.54 H30.54 K1.381 Mg1.116 Mn0.012 Na1.254 O51.27 Si14.622 -","- Al6.756 Ca1.08 H61.08 K2.762 Mg2.232 Mn0.024 Na2.508 O102.54 Si29.244 -","2","0.0833333","","Ballirano, P.; Andreozzi, G. B.; Dogan, M.; Dogan, A. U.","Crystal structure and iron topochemistry of erionite-K from Rome, Oregon, U.S.A.","American Mineralogist","2009","94","","1262","1270","10.2138/am.2009.3163","","","","","","","","","","","","","","","","","","","","","has coordinates","283912","2023-05-21","08:41:26","" "9014001","5.9291","","5.9281","","23.407","","90","","90","","120","","712.493","","","","743.15","","","","","","","","Synthetic","3","P 63/m m c","-P 6c 2c","194","","","Barioferrite","- Ba Fe12 O19 -","- Ba2 Fe24 O38 -","- Ba2 Fe24 O38 -","","","","Collomb, A.; Wolfers, P.; Obradors, X.","Neutron diffraction studies of some hexagonal ferrites: BaFe12O19, BaMg2-W and CaCo2-W Note: T = 470 C, neutron, refined with Rietveld","Journal of Magnetism and Magnetic Materials","1986","62","","57","67","10.1016/0304-8853(86)90734-1","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:33:15","" "9014013","2.588","","2.588","","4.226","","90","","90","","120","","24.513","","","","","","","","","","","","Synthetic","2","P 63/m m c","-P 6c 2c","194","","","Algodonite","- As0.111 Cu0.889 -","- As0.222 Cu1.778 -","- As0.222 Cu1.778 -","","","","Heyding, R. D.; Despault, G. J. G.","The copper/arsenic system and the copper arsenide minerals","Canadian Journal of Chemistry","1960","38","","2477","2481","10.1139/v60-335","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014071","3.09646","","3.09646","","15.627","","90","","90","","120","","129.759","","","","","","","","","","","","Barberton, South Africa","5","P 63/m m c","-P 6c 2c","194","","","Barbertonite","- C0.097 H3.224 Cr0.19 Mg0.81 O2.903 -","- C0.097 H3.224 Cr0.19 Mg0.81 O2.903 -","- C0.194 H6.448 Cr0.38 Mg1.62 O5.806 -","2","0.0833333","","Mills, S. J.; Whitfield, P. S.; Wilson, S. A.; Woodhouse, J. N.; Dipple, G. M.; Raudsepp, M.; Francis, C. A.","The crystal structure of stichtite, re-examination of barbertonite, and the nature of polytypism in MgCr hydrotalcites Note: Sample 92459, 2H1 polytype of stichtite","American Mineralogist","2011","96","","179","187","10.2138/am.2011.3531","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:56","" "9014146","2.88","","2.88","","9.62","","90","","90","","120","","69.102","","","","","","","","","","","","northeast USSR","2","P 63/m m c","-P 6c 2c","194","","","Silver","- Ag0.985 Cu0.005 -","- Ag1.971 Cr0.0002 Cu0.0092 Fe0.0002 Ni0.0002 -","- Ag1.971 Cr0.0002 Cu0.0092 Fe0.0002 Ni0.0002 -","","","","Novgorodova, M. I.; Gorshkov, A. I.; Mokhov, A. V.","Native silver and its new structural modifications Note: sample DV-300, known as silver 4H","International Geology Review","1981","23","","485","494","10.1080/00206818109455083","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014148","15.739","","15.739","","9.127","","90","","90","","120","","1958","","","","","","","","","","","","Likasi, Democratic Republic of Congo","6","P 63/m m c","-P 6c 2c","194","","","Buttgenbachite","- Cl3.9 Cu18 H34.32 N0.66 O36.36 S0.18 -","- Cl3.9 Cu18 H34.32 N0.66 O36.36 S0.18 -","- Cl7.8 Cu36 H68.64 N1.32 O72.72 S0.36 -","2","0.0833333","","Hibbs, D. E.; Leverett, P.; Williams, P. A.","A single crystal X-ray study of a sulphate-bearing buttgenbachite, Cu36Cl7.8(NO3)1.3(SO4)0.35(OH)62.2*5.2H2O, and a re-examination of the crystal chemistry of the buttgenbachite-connellite series Note: T = 100 K","Mineralogical Magazine","2003","67","","47","60","10.1180/0026461036710083","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51","" "9014563","3.09689","","3.09689","","15.6193","","90","","90","","120","","129.731","","","","","","","","","","","","Barberton, South Africa","5","P 63/m m c","-P 6c 2c","194","","","Barbertonite","- C0.124 H3.224 Cr0.25 Mg0.75 O2.984 -","- C0.124 H3.224 Cr0.25 Mg0.75 O2.984 -","- C0.248 H6.448 Cr0.5 Mg1.5 O5.968 -","2","0.0833333","","Mills, S. J.; Whitfield, P. S.; Wilson, S. A.; Woodhouse, J. N.; Dipple, G. M.; Raudsepp, M.; Francis, C. A.","The crystal structure of stichtite, re-examination of barbertonite, and the nature of polytypism in MgCr hydrotalcites Note: Sample 84588, 2H1 polytype of stichtite","American Mineralogist","2011","96","","179","187","10.2138/am.2011.3531","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:56","" "9015208","4.497479","","4.497479","","7.322382","","90","","90","","120","","128.269","","","","","","","","","","","","Kohen Station, Antarctica","2","P 63/m m c","-P 6c 2c","194","","","Ice","- H2 O -","- H8 O4 -","- H8 O4 -","","","","Fortes, A. D.; Wood, I. G.; Grigoriev, D.; Alfredsson, M.; Kipfstuhl, S.; Knight, K. S.; Smith, R. I.","No evidence for large-scale proton ordering in Antarctic ice from powder neutron diffraction Note: T = 100 K Note: known as ice-IH","Journal of Chemical Physics","2004","120","","11376","11379","10.1063/1.1765099","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00","" "9015528","2.59","","2.59","","4.24","","90","","90","","120","","24.632","","","","","","","","","","","","Synthetic","2","P 63/m m c","-P 6c 2c","194","","","Algodonite","- As0.1 Cu0.9 -","- As0.2 Cu1.8 -","- As0.2 Cu1.8 -","","","","Schubert, K.; Breimer, H.; Burkhardt, W.; Gunzel, E.; Haufler, R.; Lukas, H. L.; Vetter, H.; Wegst, J.; Wilkens, M.","Einige strukturelle Ergebnisse an metallischen Phasen II","Naturwissenschaften","1957","44","","229","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015554","5.1182","","5.1182","","23.1785","","90","","90","","120","","525.836","","","","","","","","","","","","Biraya Fe-REE deposit, Irkutsk, Russia","12","P 63/m m c","-P 6c 2c","194","","","Cordylite-(La)","- C4 H0.03 Ba Ca0.39 Ce0.66 F0.89 La0.78 Na0.61 Nd0.08 O12.03 Pr0.02 Sr0.44 -","- C4 H0.03 Ba Ca0.39 Ce0.66 F0.89 La0.78 Na0.61 Nd0.08 O12.03 Pr0.02 Sr0.44 -","- C8 H0.06 Ba2 Ca0.78 Ce1.32 F1.78 La1.56 Na1.22 Nd0.16 O24.06 Pr0.04 Sr0.88 -","2","0.0833333","","Mills, S. J.; Kartashov, P. M.; Kampf, A. R.; Konev, A. A.; Konev, A. A.; Raudsepp, M.","Cordylite-(La), a new mineral species in fenite from the Biraya Fe-REE deposit, Irkutsk, Russia Note: crystal 1","The Canadian Mineralogist","2012","50","","1281","1290","10.3749/canmin.50.5.1281","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51","" "9015898","4.1304","","4.1304","","8.4749","","90","","90","","120","","125.213","","","","","","","","","","","","Synthetic","3","P 63/m m c","-P 6c 2c","194","","","Vaterite","- C Ca O3 -","- C1.99998 Ca2 O5.99994 -","- C1.99998 Ca2 O5.99994 -","","","","Le Bail, A.; Ouhenia, S.; Chateigner, D.","Microtwinning hypothesis for a more ordered vaterite model Note: Kamhi (1963) model, not preferred","Powder Diffraction","2011","26","","16","21","10.1154/1.3552994","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015904","18.392","","18.392","","7.646","","90","","90","","120","","2239.87","","","","","","","","","","","","Mont Semiol, Montbrison, Loire, France","8","P 63/m m c","-P 6c 2c","194","","","Mazzite-Mg","- Al4.86 Ca0.53 H31.48 K1.26 Mg Na0.15 O51.74 Si13.14 -","- Al4.86 Ca0.53 H31.48 K1.26 Mg Na0.15 O51.74 Si13.14 -","- Al9.72 Ca1.06 H62.96 K2.52 Mg2 Na0.3 O103.48 Si26.28 -","2","0.0833333","","Galli, E.","Crystal structure refinement of mazzite","Rendiconti della Societa Italiana di Mineralogia e Petrologia","1975","31","","599","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52","" "9016190","2.95","","2.95","","4.68","","90","","90","","120","","35.271","","","","","","","","","","","","Great Tolbachik Fissure Eruption (Kamchatka)","1","P 63/m m c","-P 6c 2c","194","","","Titanium","- Ti -","- Ti2 -","- Ti2 -","","","","Glavatskikh, S. F.; Gorshkov, A. I.","Natural analog of alpha-titanium in the exhalation products of the Great Tolbachik Fissure Eruption (Kamchatka)","Doklady Akademii Nauk SSSR","1992","327","","123","127","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016237","2.6939","","2.6939","","4.2732","","90","","90","","120","","26.856","","","","","","","","","","","","Loma Peguera, Dominican Republic","9","P 63/m m c","-P 6c 2c","194","","","Garutiite","- Co0.008 Cu0.006 Fe0.316 Ir0.202 Ni0.421 Os0.003 Pt0.032 Rh0.006 Ru0.004 -","- Co0.016 Cu0.012 Fe0.632 Ir0.404 Ni0.842 Os0.006 Pt0.064 Rh0.012 Ru0.008 -","- Co0.016 Cu0.012 Fe0.632 Ir0.404 Ni0.842 Os0.006 Pt0.064 Rh0.012 Ru0.008 -","","","","McDonald, A. M.; Proenza, J. A.; Zaccarini, F.; Rudashevsky, N. S.; Cabri, L. J.; Stanley, C. J.; Rudashevsky, V. N.; Melgarejo, J. C.; Lewis, J. F.; Longo, F.; Bakker, R. J.","Garutiite, (Ni,Fe,Ir), a new hexagonal polymorph of native Ni from Loma Peguera, Dominican Republic","European Journal of Mineralogy","2010","22","","293","304","10.1127/0935-1221/2010/0022-2007","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016375","15.739","","15.739","","9.127","","90","","90","","120","","1958","","","","","","","","","","","","Likasi, Democratic Republic of Congo","6","P 63/m m c","-P 6c 2c","194","","","Buttgenbachite","- Cl3.9 Cu18 H32.07 N0.66 O34.11 S0.18 -","- Cl3.9 Cu18 H32.07 N0.66 O34.11 S0.18 -","- Cl7.8 Cu36 H64.14 N1.32 O68.22 S0.36 -","2","0.0833333","","Hibbs, D. E.; Leverett, P.; Williams, P. A.","A single crystal X-ray study of a sulphate-bearing buttgenbachite, Cu36Cl7.8(NO3)1.3(SO4)0.35(OH)62.2.5.2H2O, and a re-examination of the crystal chemistry of the buttgenbachite-connellite series Note: T = 288 K","Mineralogical Magazine","2003","67","","47","60","10.1180/0026461036710083","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52","" "9016637","5.1196","","5.1196","","23.1784","","90","","90","","120","","526.122","","","","","","","","","","","","Biraya Fe-REE deposit, Irkutsk, Russia","12","P 63/m m c","-P 6c 2c","194","","","Cordylite-(La)","- C4 H0.19 Ba Ca0.39 Ce0.66 F0.75 La0.7 Na0.61 Nd0.12 O12.19 Pr0.04 Sr0.46 -","- C4 H0.19 Ba Ca0.39 Ce0.66 F0.75 La0.7 Na0.61 Nd0.12 O12.19 Pr0.04 Sr0.46 -","- C8 H0.38 Ba2 Ca0.78 Ce1.32 F1.5 La1.4 Na1.22 Nd0.24 O24.38 Pr0.08 Sr0.92 -","2","0.0833333","","Mills, S. J.; Kartashov, P. M.; Kampf, A. R.; Konev, A. A.; Konev, A. A.; Raudsepp, M.","Cordylite-(La), a new mineral species in fenite from the Biraya Fe-REE deposit, Irkutsk, Russia Note: crystal 2","The Canadian Mineralogist","2012","50","","1281","1290","10.3749/canmin.50.5.1281","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52","" "9016768","5.0612","","5.0612","","22.82","","90","","90","","120","","506.236","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","Lukechangite-(Ce)","- C4 Ce2 F Na3 O12 -","- C8 Ce4 F2 Na6 O24 -","- C8 Ce4 F2 Na6 O24 -","","","","Grice, J. D.; Chao, G. Y.","Lukechangite-(Ce), a new rare-earth-fluorocarbonate mineral from Mont Saint-Hilaire, Quebec Note: U(1,2) for Na1, O1, O2 and F changed to match symmetry constraints. Note: U(2,3) for O2 changed to match symmetry constraints.","American Mineralogist","1997","82","","1255","1260","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:22:08","" "9016973","13.23574","","13.23574","","15.06516","","90","","90","","120","","2285.6","","","","","","","","","","","","Durkee, Oregon, USA","7","P 63/m m c","-P 6c 2c","194","","","Erionite-Na","- Al3.735 H31.134 K Mg0.222 Na2.484 O51.567 Si14.265 -","- Al3.73506 H31.134 K Mg0.222 Na2.484 O51.567 Si14.2649 -","- Al7.47012 H62.268 K2 Mg0.444 Na4.968 O103.134 Si28.5299 -","2","0.0833333","","Cametti, G.; Pacella, A.; Mura, F.; Rossi, M.; Ballirano, P.","New morphological, chemical, and structural data of woolly erionite-Na from Durkee, Oregon, U.S.A.","American Mineralogist","2013","98","","2155","2163","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:13","" "9017154","6.6733","","6.6733","","9.185","","90","","90","","120","","354.235","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","Claringbullite","- Cl1.29 Cu3.99 H6.71 O6.71 -","- Cl1.29 Cu3.99 H6.71 O6.71 -","- Cl2.58 Cu7.98 H13.42 O13.42 -","2","0.0833333","","Burns, P. C.; Cooper, M. A.; Hawthorne, F. C.","Claringbullite: A Cu oxysalt with Cu in trigonal-prismatic coordination","The Canadian Mineralogist","1995","33","","633","639","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53","" "9017314","2.2853","","2.2853","","3.5842","","90","","90","","120","","16.211","","","","","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","","","Beryllium","- Be -","- Be2 -","- Be2 -","","","","Larsen, F. K.; Hansen, N. K.","Diffraction study of the electron density distribution in beryllium metal","Acta Crystallographica, Section B","1984","40","","169","179","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:54","" "9017372","5.052","","5.052","","8.27","","90","","90","","120","","182.794","","","","733","","","","","","","","synthetic refractory silica brick","2","P 63/m m c","-P 6c 2c","194","","","Tridymite","- O2 Si -","- O8 Si4 -","- O8 Si4 -","","","","Kihara, K.; Matsumoto, T.; Imamura, M.","Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters Note: hexagonal Gibbs model, T = 733 K","Zeitschrift fur Kristallographie","1986","177","","27","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:58","" "9017383","2.95","","2.95","","4.686","","90","","90","","120","","35.316","","","","","","","","","","","","Harzburgite formation, Luobusha ophiolite, Indus-Yarlong suture zone, China","1","P 63/m m c","-P 6c 2c","194","","","Titanium","- Ti -","- Ti2 -","- Ti2 -","","","","Fang, Q.; Bai, W.; Yang, J.; Rong, H.; Shi, N.; Li, G.; Xiong, M.; Ma, Z.","Titanium, Ti, a new mineral species from Luobusha, Tibet, China","Acta Geologica Sinica","2013","87","","1275","1280","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:58","" "9017495","4.53674","","4.53674","","5.19983","","90","","90","","120","","92.685","","","","298.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","","","Bismuth","- Bi -","- Bi2 -","- Bi2 -","","","","Straumanis, M. E.","The precision determination of lattice constants by the powder and rotation crystal methods and applications Sample: at T = 25 C","Journal of Applied Physics","1949","20","","726","734","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:02","" "9017498","2.561","","2.561","","6.575","","90","","90","","120","","37.346","","","","","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","","","Oxygen","- O -","- O4 -","- O4 -","","","","Lundegaard, L. F.; Guillaume, C.; McMahon, M. I.; Gregoryanz, E.; Merlini, M.","On the structure of high-pressure high-temperature eta-O2","Journal of Chemical Physics","2009","130","","","164516","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:02","" "9017588","7.298","","7.298","","19.582","","90","","90","","120","","903.224","","","","","","","","","","","","Clara mine, Germany","6","P 63/m m c","-P 6c 2c","194","","","Phyllotungstite-Pb","- Cs0.215 Fe1.47 H6.129 O23 Pb1.122 W5.53 -","- Cs0.215 Fe1.47 H6.129 O23 Pb1.122 W5.53 -","- Cs0.43 Fe2.94 H12.258 O46 Pb2.244 W11.06 -","2","0.0833333","","Grey, I. E.; Mumme, W. G.; MacRae, C. M.","Lead-bearing phyllotungstite from the Clara mine, Germany with an ordered pyrochlore-hexagonal tungsten bronze intergrowth structure","Mineralogical Magazine","2013","77","","57","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:09","" "9017689","6.6786","","6.6786","","9.2744","","90","","90","","120","","358.251","","","","","","","","","","","","Great Australia mine, Cloncurry, Queensland, Australia","6","P 63/m m c","-P 6c 2c","194","","","Barlowite","- Br0.95 Cl0.09 Cu3.99 F H5.85 O5.85 -","- Br1.9 Cl0.18 Cu7.98 F2 H11.7 O11.7 -","- Br1.9 Cl0.18 Cu7.98 F2 H11.7 O11.7 -","","","","Elliott, P.; Cooper, M. A.; Pring, A.","Barlowite, Cu4FBr(OH)6, a new mineral isostructural with claringbullite: description and crystal structure","Mineralogical Magazine","2014","78","","1755","1762","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:23:58","" "9017743","4.2492","","4.2492","","5.486","","90","","90","","120","","85.783","","","","","","","","","","","","Ledyanoy Creek placer, Galmoenan ultramafic complex, Koryak Highlands, Russia","4","P 63/m m c","-P 6c 2c","194","","","Kufahrite","- Pb0.83 Pt0.94 Rh0.06 Sb0.19 -","- Pb1.66 Pt1.88 Rh0.12 Sb0.38 -","- Pb1.66 Pt1.88 Rh0.12 Sb0.38 -","","","","Sidorov, E. G.; Kutyrev, A. V.; Zhitova, E. S.; Agakhanov, A. A.; Sandimirova, E. I.; Vymazalova, A.; Chubarov, V. M.; Zolotarev, A. A.","Kufahrite, PtPb, a new mineral from Ledyanoy Creek placer, Galmoenan ultramafic complex, Koryak Highlands, Russia","Mineralogical Magazine","2021","85","","254","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:19","" "9017770","4.7853","","4.7853","","4.463","","90","","90","","120","","88.507","","","","","","","","","","","","Mt Carmel, Israel","2","P 63/m m c","-P 6c 2c","194","","","Oreillyite","- Cr N0.47 -","- Cr2 N0.94 -","- Cr2 N0.94 -","","","","Bindi, L.; Camara, F.; Gain, S. E. M.; Griffin, W. L.; Huang, J.; Saunders, M.; Toledo, V.","Kishonite, VH2, and oreillyite, Cr2N, two new minerals from the corundum xenocrysts of Mt Carmel, Northern Israel","Minerals","2020","10","","","1118","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:21","" "9017840","2.64","","2.64","","4.2","","90","","90","","120","","25.351","","","","","","","","","","","","Chirynaisky Massif, Koryak Mts, Far-Eastern Region, Russia","4","P 63/m m c","-P 6c 2c","194","","","Hexaferrum","- Fe0.49 Ir0.05 Os0.1 Ru0.34 -","- Fe0.98 Ir0.1 Os0.2 Ru0.68 -","- Fe0.98 Ir0.1 Os0.2 Ru0.68 -","","","","Mochalov, A. G.; Dmitrenko, G. G.; Rudashevsky, N. S.; Zhernovsky, I. V.; Boldyreva, M. M.","Hexaferrum (Fe,Ru),(Fe,Os),(Fe,Ir) - a new mineral Note: sample 48-126","Zapiski Vserossijskogo Mineralogicheskogo Obshchestva","1998","127","","41","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:26","" "9017841","2.591","","2.591","","4.168","","90","","90","","120","","24.232","","","","","","","","","","","","Chirynaisky Massif, Koryak Mts, Far-Eastern Region, Russia","5","P 63/m m c","-P 6c 2c","194","","","Hexaferrum","- Fe0.69 Ir0.05 Ni0.02 Os0.18 Ru0.06 -","- Fe1.38 Ir0.1 Ni0.04 Os0.36 Ru0.12 -","- Fe1.38 Ir0.1 Ni0.04 Os0.36 Ru0.12 -","","","","Mochalov, A. G.; Dmitrenko, G. G.; Rudashevsky, N. S.; Zhernovsky, I. V.; Boldyreva, M. M.","Hexaferrum (Fe,Ru),(Fe,Os),(Fe,Ir) - a new mineral Note: sample 117-8","Zapiski Vserossijskogo Mineralogicheskogo Obshchestva","1998","127","","41","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:26","" "9017842","2.7058","","2.7058","","4.2819","","90","","90","","120","","27.149","","","","","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","","","Ruthenium","- Ru -","- Ru2 -","- Ru2 -","","","","Mochalov, A. G.; Dmitrenko, G. G.; Rudashevsky, N. S.; Zhernovsky, I. V.; Boldyreva, M. M.","Hexaferrum (Fe,Ru),(Fe,Os),(Fe,Ir) - a new mineral Note: sample 6-0663","Zapiski Vserossijskogo Mineralogicheskogo Obshchestva","1998","127","","41","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:26","" "9017843","2.7341","","2.7341","","4.3197","","90","","90","","120","","27.965","","","","","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","","","Osmium","- Os -","- Os2 -","- Os2 -","","","","Mochalov, A. G.; Dmitrenko, G. G.; Rudashevsky, N. S.; Zhernovsky, I. V.; Boldyreva, M. M.","Hexaferrum (Fe,Ru),(Fe,Os),(Fe,Ir) - a new mineral Note: sample 6-0662","Zapiski Vserossijskogo Mineralogicheskogo Obshchestva","1998","127","","41","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:26",""