# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T12:45:06+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P m m n :2' 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
"1000093","3.9041","0.0001","4.0397","0.0001","5.6473","0.0002","90","","90","","90","","89.1","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Samarium fluoride oxide (1/1.6/.7)","","- F1.6 O0.7 Sm -","- F1.6 O0.7 Sm -","- F3.2 O1.4 Sm2 -","2","0.25","","Laval, J P; Abaouz, A; Frit, B; Le Bail, A","Defect structure of the orthorhombic anion-excess fluorite related SmF~1.60~O~0.70~","European Journal of Solid State Inorganic Chemistry","1990","27","","545","555","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000456","7.2285","0.0002","7.2252","0.0002","6.2624","0.0001","90","","90","","90","","327.1","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Rubidium tetrafluoroaluminate","","- Al F4 Rb -","- Al F4 Rb -","- Al4 F16 Rb4 -","4","0.5","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Rb al F4: I. DSC, x-ray powder diffraction investigations and neutron powder profile refinement of the structures","Journal of Physics C","1982","15","","183","196","10.1088/0022-3719/15/2/004","","","","","","0.0425","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000457","7.2124","0.0002","7.2073","0.0002","6.2396","0.0001","90","","90","","90","","324.3","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Rubidium tetrafluoroaluminate","","- Al F4 Rb -","- Al F4 Rb -","- Al4 F16 Rb4 -","4","0.5","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Rb al F4: I. DSC, x-ray powder diffraction investigations and neutron powder profile refinement of the structures","Journal of Physics C","1982","15","","183","196","10.1088/0022-3719/15/2/004","","","","","","0.0398","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1005017","13.481","0.002","4.459","0.001","10.05","0.001","90","","90","","90","","604.1","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Cerium palladium antimonide (3/6/5)","","- Ce3 Pd6 Sb5 -","- Ce3 Pd6 Sb5 -","- Ce6 Pd12 Sb10 -","2","0.25","","Gordon, R A; DiSalvo, F J; Poettgen, R","Crystal structure and physical properties of Ce3 Pd6 Sb5","Journal of Alloys Compd.","1995","228","","16","22","10.1016/0925-8388(95)01689-9","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008238","16.718","0.002","7.696","0.001","8.931","0.001","90","","90","","90","","1149.1","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Lithium octaoxotritantalate - H","","- Li O8 Ta3 -","- Li O8 Ta3 -","- Li8 O64 Ta24 -","8","1","","Hodeau, J L; Marezio, M; Santoro, A; Roth, R S","Neutron Diffraction Structure Determination ot the High-temperature Form of Lithium Tritanatalte, H-Li Ta~3~ O~8~","Journal of Solid State Chemistry","1984","51","","275","292","10.1016/0022-4596(84)90344-X","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008239","16.718","0.002","7.696","0.001","8.931","0.001","90","","90","","90","","1149.1","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Lithium tantalum oxide (0.9/3/8) - H","","- Li0.88 O8 Ta3 -","- Li0.875 O8 Ta3 -","- Li7 O64 Ta24 -","8","1","","Hodeau, J L; Marezio, M; Santoro, A; Roth, R S","Neutron Diffraction Structure Determination of the High-Temperature Form of Lithium Tritantalate, H-Li Ta~3~ O~8~","Journal of Solid State Chemistry","1984","51","","275","292","10.1016/0022-4596(84)90344-X","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008519","14.8","0.006","10.728","0.005","10.934","0.005","90","","90","","90","","1736","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Hexapotassium tritin(III) arsenide","","- As5 K6 Sn3 -","- As5 K6 Sn3 -","- As20 K24 Sn12 -","4","0.5","","Klein, J; Eisenmann, B","Zintl-Phasen mit komplexen Anionen: Darstellung und Einkristallstrukturbestimmung von KSnAs und K~6~Sn~3~As~5~","Materials Research Bulletin","1988","23","","587","594","10.1016/0025-5408(88)90167-5","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100278","7.649","0.001","8.317","0.001","6.903","0.001","90","","90","","90","","439.15","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- C2 As F9 S2 -","- C2 As S4 -","- C4 As2 S8 -","2","0.25","","Antel, Jochen; Harms, Klaus; Jones, Peter G.; Mews, Rüdiger; Sheldrick, George M.; Waterfeld, Alfred","Kristallstruktur von 2,4,4-Trifluor-1,3-dithietan-2-ylium-hexafluoroarsenat","Chemische Berichte","1985","118","12","5006","5008","10.1002/cber.19851181231","","","","","","","","","","","","","","","","","","","","","has coordinates","177140","2020-10-21","18:00:00",""
"1101085","11.1799","0.0014","18.94","0.0018","9.6374","0.0008","90","","90","","90","","2040.7","0.4","293","2","293","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C26 H29 Cl3 N16 O19 Pd2 -","- C26 H18 Cl3 N16 O19 Pd2 -","- C52 H36 Cl6 N32 O38 Pd4 -","2","0.25","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas","Solution and solid state coexistence of head‒head and head‒tail isomers in dimeric Pd(II) and Pt(II) complexes of the type [M2(a‒a)2(µ-L-N3N4)2]2+ with a bridging triazolopyrimidine ligand and chelating bidentate diamines","J. Chem. Soc., Dalton Trans.","2002","","24","4740","4745","10.1039/b207263g","","","0.71073","MoKα","","0.1404","0.0821","","","0.1705","0.2107","","","","","","1.114","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"1507769","7.0523","0.0005","12.1005","0.0009","6.7057","0.0005","90","","90","","90","","572.24","0.07","443","2","443","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- Al3 F12 H2 K3 O -","- Al3 F12 K3 O -","- Al6 F24 K6 O2 -","2","0.25","","Le Bail, A","Thermodiffractometry and crystal structures of the hexagonal-tungsten-bronze-related K3Al3F12.nH2O (n=2,1)","Powder Diffraction","2009","24","","292","300","10.1154/1.3257585","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509202","4.0121","","4.0516","","10.5012","","90","","90","","90","","170.701","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Nd Ag As2","","- Ag As2 Nd -","- Ag As2 Nd -","- Ag2 As4 Nd2 -","2","0.25","","Babizhet'sky, V.S.; Kuz'ma, Yu.B.; Demchyna, R.O.","New arsenides Ln Ag As2 (Ln= La, Ce, Pr, Nd, Sm, Gd, Tb, Dy) and their crystal structure","Journal of Alloys Compd.","2001","315","","158","163","10.1016/S0925-8388(00)01273-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509980","15.643","","4.407","","10.869","","90","","90","","90","","749.295","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Ba2 (Ag8 S5 (S2))","","- Ag8 Ba2 S7 -","- Ag8 Ba2 S7 -","- Ag16 Ba4 S14 -","2","0.25","","Li, H.; Hwu, S.-J.","Electrochemical synthesis of Ba2 Ag8 S7, a quasi-onedimensional barium silver(I) sulfide containing mixed S2-/(S2)2- ligands","Angew. Chem. Int. ed.","1999","38","","3067","3069","10.1002/(SICI)1521-3773(19991018)38:20<3067::AID-ANIE3067>3.0.CO;2-B","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510108","7.179","","12.993","","6.122","","90","","90","","90","","571.04","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Cs3 (Au Ge4)","","- Au Cs3 Ge4 -","- Au Cs3 Ge4 -","- Au2 Cs6 Ge8 -","2","0.25","","Wlodarski, J.; Zachwieja, U.","Zintl-Verbindungen mit Gold und Germanium: M3 Au Ge3 mit M = K, Rb, und Cs","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","993","997","10.1002/zaac.200400042","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510174","6.655","","11.911","","6.081","","90","","90","","90","","482.027","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","K3 (Au Ge4)","","- Au Ge4 K3 -","- Au Ge4 K3 -","- Au2 Ge8 K6 -","2","0.25","","Zachwieja, U.; Wlodarski, J.","Zintl-Verbindungen mit Gold und Germanium: M3 Au Ge3 mit M = K, Rb, und Cs","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","993","997","10.1002/zaac.200400042","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510175","6.894","","12.421","","6.107","","90","","90","","90","","522.945","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Rb3 (Au Ge4)","","- Au Ge4 Rb3 -","- Au Ge4 Rb3 -","- Au2 Ge8 Rb6 -","2","0.25","","Wlodarski, J.; Zachwieja, U.","Zintl-Verbindungen mit Gold und Germanium: M3 Au Ge3 mit M = K, Rb, und Cs","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","993","997","10.1002/zaac.200400042","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510803","4.684","","2.872","","4.096","","90","","90","","90","","55.101","","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","","Os B2","","- B2 Os -","- B2 Os -","- B4 Os2 -","2","0.25","","Stenberg, E.; Aronsson, B.; Aselius, J.","Borides of ruthenium, osmium and iridium","Nature (London)","1962","195","","377","378","10.1038/195377a0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510818","4.645","","2.865","","4.045","","90","","90","","90","","53.831","","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","","Ru B2","","- B2 Ru -","- B2 Ru -","- B4 Ru2 -","2","0.25","","Aselius, J.; Aronsson, B.; Stenberg, E.","Borides of ruthenium, osmium and iridium","Nature (London)","1962","195","","377","378","10.1038/195377a0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510862","3.118","","17.897","","14.585","","90","","90","","90","","813.885","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","U5 Mo10 B24","","- B24 Mo10 U5 -","- B24 Mo10 U5 -","- B48 Mo20 U10 -","2","0.25","","Konrad, T.; Jeitschko, W.","U5 Mo10 B24, a boride containing three different kinds of boron polyanions","Journal of Alloys Compd.","1996","233","","3","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511079","6.2633","","5.7967","","5.6009","","90","","90","","90","","203.349","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","Cs Na2 (B O3)","","- B Cs Na2 O3 -","- B Cs Na2 O3 -","- B2 Cs2 Na4 O6 -","2","0.25","","Hoppe, R.; Schlaeger, M.","Preparation and Crystal Structure of CsNa2(BO3) and RbNa2(BO3)","Australian Journal of Chemistry","1992","45","","1427","1439","10.1071/CH9921427","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511197","6.039","","5.602","","5.568","","90","","90","","90","","188.368","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","K Na2 (B O3)","","- B K Na2 O3 -","- B K Na2 O3 -","- B2 K2 Na4 O6 -","2","0.25","","Hoppe, R.; Miessen, M.","Neue Borate der Alkalimetalle: K Na2 (B O3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1984","518","","55","64","10.1002/zaac.19845181106","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511251","6.133","","5.68","","5.549","","90","","90","","90","","193.302","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","Rb Na2 (B O3)","","- B Na2 O3 Rb -","- B Na2 O3 Rb -","- B2 Na4 O6 Rb2 -","2","0.25","","Hoppe, R.; Schlaeger, M.","Preparation and Crystal Structure of CsNa2(BO3) and RbNa2(BO3)","Australian Journal of Chemistry","1992","45","","1427","1439","10.1071/CH9921427","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513129","14.1243","0.0004","6.7924","0.0002","7.1322","0.0002","90","","90","","90","","684.25","0.03","100","2","100","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- C17 H20 N2 -","- C17 H20 N2 -","- C34 H40 N4 -","2","0.25","","Chen, Lei; Mahmoud, Sufian M.; Yin, Xiaodong; Lalancette, Roger A.; Pietrangelo, Agostino","Decreasing Aromaticity in π-Conjugated Materials: Efficient Synthesis and Electronic Structure Identification of Cyclopentadiene-Containing Systems","Organic Letters","2013","15","23","5970","","10.1021/ol402824m","","","1.54178","CuKα","","0.064","0.036","","","0.1","0.115","","","","","","1.14","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513980","2.806","0.001","4.55","0.002","5.747","0.002","90","","90","","90","","73.37","0.05","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Lithium Manganate(III)","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Greedan, J. E.; Raju, N. P.; Davidson, I. J.","Long range and short range magnetic order in orthorhombic Li Mn O2","Journal of Solid State Chemistry","1997","128","","209","214","10.1006/jssc.1996.7189","","","","","","0.016","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1514027","4.656","0.006","2.832","0.006","5.766","0.014","90","","90","","90","","76","0.3","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Lithium Manganese Oxide (0.7/1/2) - Ii","","- Li0.7 Mn O2 -","- Li0.7 Mn O2 -","- Li1.4 Mn2 O4 -","2","0.25","","Idemoto, Y.; Konno, Y.; Ui, K.; Koura, N.","Li content dependence of thermodynamic stability abd the crystal structure of Lix Mn1-y My O2 (M = Mn, Al, Cu) as a cathode active material for Li secondary battery","Electrochemistry (Tokyo)","2005","73","9","823","829","","","","","","","0.0452","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514028","4.5757","0.0004","2.8058","0.0002","5.749","0.0006","90","","90","","90","","73.809","0.011","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Lithium Manganate(III) - O","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Idemoto, Y.; Mochizuki, T.; Ui, K.; Koura, N.","Properties, crystal structure and performance of o-(Li Mn O2) as cathode material for Li secondary batteries","Journal of the Electrochemical Society","2006","153","2","A418","A424","10.1149/1.2142293","","","","","","0.0482","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514046","2.80473","0.00004","4.57419","0.00008","5.74873","0.00009","90","","90","","90","","73.753","0.002","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Lithium Manganese Oxide (0.98/1/2)","","- Li0.98 Mn O2 -","- Li0.977 Mn1.023 O2 -","- Li1.954 Mn2.046 O4 -","2","0.25","","Kellerman, D. G.; Medvedeva, J. E.; Gorshkov, V. S.; Kurbakov, A. I.; Zubkov, V. G.; Tyutyunnik, A. P.; Trunov, V. A.","Structural and magnetic properties of orthorhombic Li(x) Mn O2","Solid State Sciences","2007","9","2","196","204","10.1016/j.solidstatesciences.2006.11.013","","","","","","0.0325","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514047","2.80644","0.00003","4.57536","0.00007","5.75092","0.00008","90","","90","","90","","73.8445","0.0017","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Lithium Manganese Dioxide","","- Li Mn O2 -","- Li0.996 Mn1.004 O2 -","- Li1.992 Mn2.008 O4 -","2","0.25","","Kellerman, D. G.; Medvedeva, J. E.; Gorshkov, V. S.; Kurbakov, A. I.; Zubkov, V. G.; Tyutyunnik, A. P.; Trunov, V. A.","Structural and magnetic properties of orthorhombic Li(x) Mn O2","Solid State Sciences","2007","9","2","196","204","10.1016/j.solidstatesciences.2006.11.013","","","","","","0.0261","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514048","2.80661","0.00002","4.57749","0.00004","5.75147","0.00005","90","","90","","90","","73.8905","0.0011","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Lithium Manganese Oxide (1.02/1/2)","","- Li1.02 Mn O2 -","- Li1.016 Mn0.984 O2 -","- Li2.032 Mn1.968 O4 -","2","0.25","","Kellerman, D. G.; Medvedeva, J. E.; Gorshkov, V. S.; Kurbakov, A. I.; Zubkov, V. G.; Tyutyunnik, A. P.; Trunov, V. A.","Structural and magnetic properties of orthorhombic Li(x) Mn O2","Solid State Sciences","2007","9","2","196","204","10.1016/j.solidstatesciences.2006.11.013","","","","","","0.0277","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1515612","21.1146","0.0006","32.0756","0.001","12.6836","0.0004","90","","90","","90","","8590.1","0.5","150","2","150","2","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- C12 H154 N6 Na18 O165 Te8 W28 -","- C7 N3.8 Na13.4 O163.9 Te8 W28 -","- C14 N7.6 Na26.8 O327.8 Te16 W56 -","2","0.25","","Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy","Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties","Chemical Science","2011","2","8","1502","","10.1039/c1sc00150g","","","1.54178","CuKα","","0.0737","0.0475","","","0.1187","0.1317","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516583","12.3385","0.0012","15.6948","0.0015","3.8193","0.0004","90","","90","","90","","739.61","0.13","173","2","173","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- C24 H8 O2 -","- C24 H8 O2 -","- C48 H16 O4 -","2","0.25","","Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C.","Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties.","Organic letters","2014","16","12","3252","3255","10.1021/ol501267z","","","0.71073","MoKα","","0.0677","0.0614","","","0.1671","0.1747","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518161","6.472","0.004","12.656","0.005","8.028","0.004","90","","90","","90","","657.6","0.6","","","293","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- F11 H12 N3 Sn3 -","- F11 H12 N3 Sn3 -","- F22 H24 N6 Sn6 -","2","0.25","","Soufiane, A.; Vilminot, S.; Cot, L.","Etude structurale de la forme haute temperature de (NH4)3Sn3F11","Revue de Chimie Minerale","1986","23","","313","317","","","x-ray","0.71069","MoKα","","","0.054","","","","","","","","","","","","","","has coordinates","186596","2020-10-21","18:00:00",""
"1519060","13.7642","0.0002","15.6796","0.0004","4.6902","0.0001","90","","90","","90","","1012.23","0.04","","","293","","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C4 H32 K4 O42 P8 V6 -","- C4 H8 O42 P12 V6 -","- C4 H8 O42 P12 V6 -","1","0.125","","D. Riou; P. Baltazar; G. Ferey","Hybrid open-frameworks: synthesis and structures of four vanado-alkyldiphosphonates with occluded potassium cations","Solid State Sciences","1998","2","","127","134","","","x-ray","0.71073","MoKα","","","0.0565","","","0.1578","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520510","4.08096","0.00008","4.03441","0.00008","25.7582","0.0007","90","","90","","90","","424.09","0.017","","","293","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- Cl Nd O3 Te -","","","8","1","","Peter S. Berdonosov; Dmitry O. Charkin; Ardak M. Kusainova; Charles H. Hervoches; Valeriy A. Dolgikh; Philip Lightfoot","The crystal structures of BiTeO3I, NdTeO3X (X=Cl, Br) and Bi5TeO8.5I2: some crystal chemistry peculiarities of layered Bi(Ln)Te oxyhalides","Solid State Sciences","2000","2","","553","562","","powder diffraction","neutron","","white","","","","","","","","","","","","","","","","","","191028","2020-10-21","18:00:00",""
"1521350","6.878","","11.847","","4.588","","90","","90","","90","","373.847","","","","","","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","Ba Fe2 (P2 O7) F2","","- Ba F2 Fe2 O7 P2 -","- Ba F2 Fe2 O7 P2 -","- Ba2 F4 Fe4 O14 P4 -","2","0.25","","le Meins, J.M.; Greneche, J.M.; Courbion, G.","Hydrothermal synthesis, structural, and magnetic studies of a new fluoropyrophosphate: Ba Fe(II)2 P2 O7 F2","Journal of Solid State Chemistry","1999","148","","286","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521530","11.2966","","3.6145","","4.6841","","90","","90","","90","","191.259","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Na V2 O5","","- Na O5 V2 -","- Na O5 V2 -","- Na2 O10 V4 -","2","0.25","","Loa, I.; Syassen, K.; Kremer, R.K.; Schwarz, U.; Hanfland, M.","Structural properties of Na V2 O5 under high pressure","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1999","60","","6945","6948","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521531","11.2525","","3.6512","","3.8506","","90","","90","","90","","158.202","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Na V2 O5","","- Na O5 V2 -","- Na O5 V2 -","- Na2 O10 V4 -","2","0.25","","Loa, I.; Kremer, R.K.; Syassen, K.; Hanfland, M.; Schwarz, U.","Structural properties of Na V2 O5 under high pressure","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1999","60","","6945","6948","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521696","11.328","","3.6","","4.881","","90","","90","","90","","199.051","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","(Ca0.95 Na0.05) (V2 O5)","","- Ca0.95 Na0.05 O5 V2 -","- Ca0.95 Na0.05 O5 V2 -","- Ca1.9 Na0.1 O10 V4 -","2","0.25","","Onoda, M.; Kagami, T.","Crystal structures and electronic properties in the crossover region between the spin-gap system Ca V2 O5 and the linear-chain system Na V2 O5","Journal of Physics: Condensed Matter","1999","11","","3475","3488","","","","","","","","","","","","","","","","","","","","","","has coordinates","141909","2020-10-21","18:00:00",""
"1521697","11.294","","3.606","","4.806","","90","","90","","90","","195.73","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","(Ca0.17 Na0.83) (V2 O5)","","- Ca0.17 Na0.83 O5 V2 -","- Ca0.17 Na0.83 O5 V2 -","- Ca0.34 Na1.66 O10 V4 -","2","0.25","","Onoda, M.; Kagami, T.","Crystal structures and electronic properties in the crossover region between the spin-gap system Ca V2 O5 and the linear-chain system Na V2 O5","Journal of Physics: Condensed Matter","1999","11","","3475","3488","","","","","","","","","","","","","","","","","","","","","","has coordinates","141910","2020-10-21","18:00:00",""
"1522453","8.699","","5.376","","7.704","","90","","90","","90","","360.284","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Ga6 Hf3 Mn2 -","- Ga6 Hf3 Mn2 -","- Ga12 Hf6 Mn4 -","2","0.25","","Markiv, V.Ya.; Belyavina, N.N.","Crystal structure of the Hf3 Mn2 Ga6 compound and its analogs","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1987","1987","","44","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523160","3.787","","3.487","","8.529","","90","","90","","90","","112.628","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Ti O Br","","- Br O Ti -","- Br O Ti -","- Br2 O2 Ti2 -","2","0.25","","von Schnering, H.G.; Collin, M.; Hassheider, M.","Ti O Br: Darstellung, Eigenschaften und Struktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1972","387","","137","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523841","6.42","","6.302","","4.62","","90","","90","","90","","186.92","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Li5 Al O4","","- Al Li5 O4 -","- Al Li5 O4 -","- Al2 Li10 O8 -","2","0.25","","Hoppe, R.; Koenig, H.","Zur Kristallstruktur von beta - Li5 Al O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1977","430","","211","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524608","13.177","","11.249","","4.943","","90","","90","","90","","732.691","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","Cr2 H2 (As2 O7) (As4 O12)","","- As6 Cr2 H2 O19 -","- As6 Cr2 O19 -","- As12 Cr4 O38 -","2","0.25","","Jansen, M.; Brachtel, G.","Zur Kenntnis von Cr2 H2 (As2 O7) (As4 O12)","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1980","111","","377","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525676","11.303","","3.61095","","4.7525","","90","","90","","90","","193.971","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Na (V2 O5)","","- Na O5 V2 -","- Na O5 V2 -","- Na2 O10 V4 -","2","0.25","","Bernert, A.; Chatterji, T.; Thalmeier, P.; Fulde, P.","Structure determination, valence and superexchange in the dimerized low temperature phase of alpha'-(Na V2 O5)","The European Physical Journal B","2001","21","","535","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525769","11.758","","8.016","","8.858","","90","","90","","90","","834.885","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","(La (H2 O)9) I3","","- H18 I3 La O9 -","- I3 La O9 -","- I6 La2 O18 -","2","0.25","","Lim, K.C.; Skelton, B.W.; White, A.H.","Structural systematics of rare earth complexes. XXII. ('Maximally') hydrated rare earth iodides","Australian Journal of Chemistry","2000","53","","867","873","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525771","11.26","","7.933","","8.844","","90","","90","","90","","789.995","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","(Ho (H2 O)9) I3","","- H18 Ho I3 O9 -","- H18 Ho I3 O9 -","- H36 Ho2 I6 O18 -","2","0.25","","Lim, K.C.; Skelton, B.W.; White, A.H.","Structural systematics of rare earth complexes. XXII. ('Maximally')hydrated rare earth iodides","Australian Journal of Chemistry","2000","53","","867","873","","","","","","","","","","","","","","","","","","","","","","has coordinates","191025","2020-10-21","18:00:00",""
"1525772","11.53","","7.928","","8.907","","90","","90","","90","","814.187","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","(Sm (H2 O)9) I3","","- H18 I3 O9 Sm -","- H18 I3 O9 Sm -","- H36 I6 O18 Sm2 -","2","0.25","","Lim, K.C.; Skelton, B.W.; White, A.H.","Structural systematics of rare earth complexes. XXII. ('Maximally')hydrated rare earth iodides","Australian Journal of Chemistry","2000","53","","867","873","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525773","11.47","","7.902","","8.923","","90","","90","","90","","808.744","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","(Gd (H2 O)9) I3","","- Gd H18 I3 O9 -","- Gd H18 I3 O9 -","- Gd2 H36 I6 O18 -","2","0.25","","Lim, K.C.; Skelton, B.W.; White, A.H.","Structural systematics of rare earth complexes. XXII. ('Maximally')hydrated rare earth iodides","Australian Journal of Chemistry","2000","53","","867","873","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526237","3.155","","4.092","","6.956","","90","","90","","90","","89.804","","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","","","","- Cu Te -","- Cu Te -","- Cu2 Te2 -","2","0.25","","Pertlik, F.","Vulcanite, Cu Te: hydrothermal synthesis and crystal structure refinement","Mineralogy and Petrology","2001","71","","149","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526314","3.887","","19.288","","6.69","","90","","90","","90","","501.566","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Zr Pd As","","- As Pd Zr -","- As Pd Zr -","- As10 Pd10 Zr10 -","10","1.25","","Heerdmann, A.; Johrendt, D.; Mewis, A.","Palladiumpnictide des Zirconiums und Hafniums mit einem Metall:Nichtmetall-Verhaeltnis von 2:1","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","1393","1399","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526455","4.7634","","3.4665","","7.7925","","90","","90","","90","","128.672","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","Cr S (Br0.67 Cl0.33)","","- Br0.67 Cl0.33 Cr S -","- Br0.67 Cl0.33 Cr S -","- Br1.34 Cl0.66 Cr2 S2 -","2","0.25","","Sassmannshausen, M.; Lutz, H.D.","Preparation and crystal structure of quaternary chromium sulfide halide Cr S Br0.67 Cl0.33","Materials Research Bulletin","2000","35","","2431","2436","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527714","13.95","","3.762","","8.352","","90","","90","","90","","438.312","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","Gd3 O (O H)5 Br2","","- Br2 Gd3 H5 O6 -","- Br2 Gd3 O6 -","- Br4 Gd6 O12 -","2","0.25","","Lance-Gomez, E.T.; Haschke, J.M.","Phase equilibria of the oxide hydroxide halide systems of Sm, Eu, and Gd. The crystal structure of Gd3 O (O H)5 Br2","Journal of Solid State Chemistry","1980","35","","357","366","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527919","4.77","","2.852","","6.31","","90","","90","","90","","85.841","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Na Mn O2","","- Mn Na O2 -","- Mn Na O2 -","- Mn2 Na2 O4 -","2","0.25","","Parant, J.P.; Olazcuaga, R.; Devalette, M.; Hagenmuller, P.; Fouassier, C.","Sur Quelques Nouvelles Phases de Formule Nax Mn O2 (X<1)","Journal of Solid State Chemistry","1971","3","","1","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528092","6.424","","6.305","","4.623","","90","","90","","90","","187.247","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Li5 Al O4","","- Al Li5 O4 -","- Al Li5 O4 -","- Al2 Li10 O8 -","2","0.25","","Stewner, F.; Hoppe, R.","Zur Kristallstruktur von beta-Li5 Al O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1971","381","","149","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529432","6.3036","0.0003","8.9891","0.0003","6.2976","0.0004","90","","90","","90","","356.85","0.03","","","","","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- F3 H6 K1.28 N1.72 O3 W -","- F3 H6 K1.28 N1.72 O3 W -","- F6 H12 K2.56 N3.44 O6 W2 -","2","0.25","","M.S. Molokeev; S.V. Misyul","Structural transformations and the critical and noncritical parameters during the phase transition in the (NH4)2KWO3F3 oxyfluoride","Physics of the Solid State","2011","53","8","1672","1679","10.1134/S1063783411080208","","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1531104","12.421","","4.0797","","9.6436","","90","","90","","90","","488.679","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Ce3 Ni6.94 As5","","- As5 Ce3 Ni6.94 -","- As5 Ce3 Ni6.94 -","- As10 Ce6 Ni13.88 -","2","0.25","","Babizhet'sky, V.S.; Guerin, R.; Isnard, O.; Hiebl, K.","Ternary rare-earth nickel arsenides R3 Ni7 As5 (R = La, Ce, Pr, Nd, Sm) with a new variant of the (Ba Al4)-type: crystal structure and physical properties","Journal of Solid State Chemistry","2003","172","","265","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","156429","2020-10-21","18:00:00",""
"1531206","10.6344","","3.7712","","12.3501","","90","","90","","90","","495.294","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Yb Co3 P2","","- Co3 P2 Yb -","- Co2.99333 P2 Yb -","- Co17.96 P12 Yb6 -","6","0.75","","Budnyk, S.; Kuz'ma, Yu.B.","The system Yb - Co - P","Polish Journal of Chemistry","2002","76","","1553","1558","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531319","21.458","","11.773","","7.495","","90","","90","","90","","1893.43","","","","","","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","Cs7 (U O2)8 (V O4)2 Cl O8","","- Cl Cs7 O32 U8 V2 -","- Cl Cs7 O32 U8 V2 -","- Cl2 Cs14 O64 U16 V4 -","2","0.25","","Duribreux, I.; Abraham, F.; Obbade, S.; Dion, C.; Saadi, M.","Synthesis and crystal structure of two new uranyl oxychloro-vanadate layered compounds: M7 (U O2)8 (V O4)2 O8 Cl with M = Rb, Cs","Journal of Solid State Chemistry","2003","172","","351","363","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531801","17.463","","3.6732","","10.007","","90","","90","","90","","641.9","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","Eu5 V3 S6 O7","","- Eu5 O7 S6 V3 -","- Eu5 O7 S6 V3 -","- Eu10 O14 S12 V6 -","2","0.25","","Meerschaut, A.; Lafond, A.; Palvadeau, P.; Deudon, C.; Cario, L.","Synthesis and crystal structure of two new oxychalcogenides: Eu5 V3 S6 O7 and La10 Se14 O","Materials Research Bulletin","2002","37","","1895","1905","","","","","","","","","","","","","","","","","","","","","","has coordinates","157375","2020-10-21","18:00:00",""
"1531902","3.7919","","3.7941","","9.7321","","90","","90","","90","","140.014","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","Ho Cu (As0.99 P1.01)","","- As0.99 Cu Ho P1.01 -","- As0.986 Cu Ho P1.014 -","- As1.972 Cu2 Ho2 P2.028 -","2","0.25","","Mozharivsky, Yu.; Franzen, H.F.; Kaczorowski, D.","Symmetry-breaking transitions in Ho Cu As2-x Px and Er Cu As2-x Px (x = 0 - 2): crystal structure, application of Landau theory, magnetic and electrical properties","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2163","2172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531908","3.859","","3.862","","9.852","","90","","90","","90","","146.829","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","Sm Cu1.07 (As0.85 P1.15)","","- As0.85 Cu1.07 P1.15 Sm -","- As0.853 Cu1.074 P1.147 Sm -","- As1.706 Cu2.148 P2.294 Sm2 -","2","0.25","","Mozharivsky, Yu.; Pecharsky, A.O.; Bud'ko, S.L.; Franzen, H.F.","Symmetry-breaking transitions in Sm Cu1+d As2-x Px (d = 0 - 0.2, x = 0 - 2). Effect of P and additional Cu atoms on crystal structures and magnetic properties","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1619","1630","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532008","4.1165","","3.5609","","8.644","","90","","90","","90","","126.708","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Hf N Br","","- Br Hf N -","- Br Hf N -","- Br2 Hf2 N2 -","2","0.25","","Oro-Sole, J.; Vlassov, M.; Beltran-Porter, D.; Fuertes, A.; Caldes, M.T.; Primo, V.","Synthesis and crystal structure of the alpha polytype of Hf N Br","Solid State Sciences","2002","4","","475","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532046","9.9734","","6.1222","","8.5562","","90","","90","","90","","522.434","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Cs Mg D3","","- Cs D3 Mg -","- Cs D3 Mg -","- Cs6 D18 Mg6 -","6","0.75","","Renaudin, G.; Bertheville, B.; Yvon, K.","Synthesis and structure of an orthorhombic low-pressure polymorph of cesium magnesium hydride, Cs Mg H3","Journal of Alloys Compd.","2003","353","","175","179","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532418","10.6214","","3.8831","","3.279","","90","","90","","90","","135.239","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Sr Cu2 O3","","- Cu2 O3 Sr -","- Cu2 O3 Sr -","- Cu4 O6 Sr2 -","2","0.25","","Yoshida, Hirofumi; Saito, Takashi; Yamada, Takahiro; Azuma, Masaki; Takano, Mikio","Pressure Induced Structural Transitions of Spin Ladder Compounds SrCu~2~O~3~ and Sr~2~Cu~3~O~5~","Funtai oyobi Funmatsu Yakin","2002","49","5","377","381","10.2497/jjspm.49.377","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532781","8.4828","","13.426","","7.1366","","90","","90","","90","","812.788","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","Cs4 ((U O2)2 (V2 O7) O2)","","- Cs4 O13 U2 V2 -","- Cs4 O13 U2 V2 -","- Cs8 O26 U4 V4 -","2","0.25","","Obbade, S.; Dion, C.; Saadi, M.; Abraham, F.","Synthesis, crystal structure and electrical characterization of Cs4 ((U O2)2 (V2 O7) O2), a uranyl divanadate with chains of corner-sharing uranyl square bipyramids","Journal of Solid State Chemistry","2004","177","","1567","1574","","","","","","","","","","","","","","","","","","","","","","has coordinates","158767","2020-10-21","18:00:00",""
"1532934","4.061","","4.178","","16.223","","90","","90","","90","","275.253","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Sm2 (Ru0.4 Ge0.6)2 Ge3.2","","- Ge4.4 Ru0.8 Sm2 -","- Ge4.4 Ru0.8 Sm2 -","- Ge8.8 Ru1.6 Sm4 -","2","0.25","","Morozkin, A.V.; Seropegin, Yu.D.","Sm - Ru - Ge system at 1070 K","Journal of Alloys Compd.","2004","365","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","158951","2020-10-21","18:00:00",""
"1533077","4.3795","","4.4023","","10.5047","","90","","90","","90","","202.529","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","La Zn0.63 Sb2","","- La Sb2 Zn0.63 -","- La Sb2 Zn0.63 -","- La2 Sb4 Zn1.26 -","2","0.25","","Salamakha, L.P.; Mudryi, S.I.","Crystal structure of the R Zn1-x Sb2 compounds (R = La, Ce)","Journal of Alloys Compd.","2003","359","","139","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533078","4.3493","","4.3743","","10.4077","","90","","90","","90","","198.008","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Ce Zn0.82 Sb2","","- Ce Sb2 Zn0.82 -","- Ce Sb2 Zn0.82 -","- Ce2 Sb4 Zn1.64 -","2","0.25","","Salamakha, L.P.; Mudryi, S.I.","Crystal structure of the R Zn1-x Sb2 compounds (R = La, Ce)","Journal of Alloys Compd.","2003","359","","139","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534318","8.15","","6.75","","5.275","","90","","90","","90","","290.191","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","(Hg2 N2 H2) Cl2","","- Cl2 H2 Hg2 N2 -","- Cl2 Hg2 N2 -","- Cl4 Hg4 N4 -","2","0.25","","Brodersen, K.","Infrarotspektroskopische Untersuchung von Quecksilber(II)-Hydrazin-halogeniden","Zeitschrift fuer Anorganische und Allgemeine Chemie","1957","290","","24","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534362","4.845","","9.205","","4.296","","90","","90","","90","","191.594","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","U (C O3) O2","","- C O5 U -","- C O5 U -","- C2 O10 U2 -","2","0.25","","Christ, C.L.; Clark, J.R.; Evans, H.T.jr.","Crystal structure of rutherfordine, U O2 C O3","Science","1955","121","","472","472","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534386","3.863","","3.232","","8.36","","90","","90","","90","","104.376","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Cr O Br","","- Br Cr O -","- Br Cr O -","- Br2 Cr2 O2 -","2","0.25","","Danot, M.; Rouxel, J.","Preparation et reseau cristallin de l'oxybromure Cr O Br","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1966","262","","1879","1881","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534961","3.786","","3.361","","8.045","","90","","90","","90","","102.371","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Ti O Cl","","- Cl O Ti -","- Cl O Ti -","- Cl2 O2 Ti2 -","2","0.25","","Snigireva, E.M.; Rybakov, V.B.; Troyanov, S.I.","Refinement of Ti O Cl crystal structure","Zhurnal Neorganicheskoi Khimii","1990","35","","1945","1946","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535158","7.0625","","7.6029","","6.2327","","90","","90","","90","","334.668","","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","","","","- As Cl5 -","- As Cl5 -","- As2 Cl10 -","2","0.25","","Haupt, S.; Seppelt, K.","Solid state structures of As Cl5 and Sb Cl5","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","729","734","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535287","10.5757","","5.6338","","6.1059","","90","","90","","90","","363.798","","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","","Ru Cl3","","- Cl3 Ru -","- Cl3 Ru -","- Cl12 Ru4 -","4","0.5","","Hillebrecht, H.; Ludwig, T.; Thiele, G.","About trihalodes with Ti I3 chain structure: Proof of pair forming of cations in beta-Ru Cl3 and Ru Br3 by temperature dependent single crystal x-ray analyses","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2199","2204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535290","11.2561","","5.8725","","6.4987","","90","","90","","90","","429.573","","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","","Ru Br3","","- Br3 Ru -","- Br3 Ru -","- Br12 Ru4 -","4","0.5","","Hillebrecht, H.; Thiele, G.; Ludwig, T.","About trihalodes with Ti I3 chain structure: Proof of pair forming of cations in beta-Ru Cl3 and Ru Br3 by temperature dependent single crystal x-ray analyses","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2199","2204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535484","10.295","","5.2588","","5.732","","90","","90","","90","","310.327","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","Li4 (O H)3 I","","- H3 I Li4 O3 -","- I Li4 O3 -","- I2 Li8 O6 -","2","0.25","","Hoennerscheid, A.; Nuss, J.; Muehle, C.; Jansen, M.","Die Kristallstrukturen der Hydroxyhalogenide Li4 (O H)3 Br und Li4 (O H)3 I","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","317","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536708","3.903","","11.221","","19.411","","90","","90","","90","","850.116","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Ca4 Rh12.8 As9","","- As9 Ca4 Rh12.8 -","- As9 Ca4 Rh12.775 -","- As18 Ca8 Rh25.55 -","2","0.25","","Wurth, A.; Mewis, A.; Johrendt, D.; Keimes, V.","Neue ternaere Phosphide und Arsenide mit einem Metall:Nichtmetall-Verhaeltnis im Bereich von 2:1","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2183","2190","","","","","","","","","","","","","","","","","","","","","","has coordinates","164533","2020-10-21","18:00:00",""
"1536710","3.913","","11.242","","19.44","","90","","90","","90","","855.165","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Sm4 Rh13 As9","","- As9 Rh13 Sm4 -","- As9 Rh13 Sm4 -","- As18 Rh26 Sm8 -","2","0.25","","Wurth, A.; Keimes, V.; Johrendt, D.; Mewis, A.","Neue ternaere Phosphide und Arsenide mit einem Metall:Nichtmetall-Verhaeltnis im Bereich von 2:1","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2183","2190","","","","","","","","","","","","","","","","","","","","","","has coordinates","164536","2020-10-21","18:00:00",""
"1537006","25.02","","3.905","","8.919","","90","","90","","90","","871.414","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Rb (In7 S9)","","- In7 Rb S9 -","- In7 Rb1.008 S9 -","- In14 Rb2.016 S18 -","2","0.25","","Reiner, C.; Deiseroth, H.J.; Schlosser, M.; Kienle, L.","Die neuen gemischtvalenten Chalkogenoindate M In7 X9 (M = Rb, Cs; X = S, Se): Strukturchemie, Roentgen- und HRTEM-Untersuchungen","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","249","257","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537072","4.4267","","22.657","","9.321","","90","","90","","90","","934.857","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Yb5 Cu11 Sn8","","- Cu11 Sn8 Yb5 -","- Cu11 Sn8 Yb5 -","- Cu22 Sn16 Yb10 -","2","0.25","","Fornasini, M.L.; Zanicchi, G.; Manfrinetti, P.; Mazzone, D.; Riani, P.","Yb3 Cu6 Sn5, Yb5 Cu11 Sn8 and Yb2 Cu8 Sn4: crystal structure of three ordered compounds","Journal of Solid State Chemistry","2004","177","","1919","1924","","","","","","","","","","","","","","","","","","","","","","has coordinates","165056","2020-10-21","18:00:00",""
"1537583","3.775","","3.38","","8.425","","90","","90","","90","","107.499","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","V O Br","","- Br O V -","- Br O V -","- Br2 O2 V2 -","2","0.25","","Levayer, C.; Rouxel, J.","Sur le systeme V(III)-O-X (X= Cl, Br, I): Preparation de monocristaux et structure de V O Br","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1969","268","","167","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541203","7.758","","20.092","","6.241","","90","","90","","90","","972.808","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Pr (Nb5 O14)","","- Nb5 O14 Pr -","- Nb5 O14 Pr -","- Nb20 O56 Pr4 -","4","0.5","","Mao, J.-G.; Zhuang, H.-H.; Huang, J.-S.","Preparation and crystal structure of Pr Nb5 O14","Jiegon Huaxue","1996","15","","35","39","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541862","29.127","","3.8417","","10.8029","","90","","90","","90","","1208.81","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","(Y9 C4 O) I8","","- C4 I8 O Y9 -","- C4 I8 O Y9 -","- C8 I16 O2 Y18 -","2","0.25","","Mattfeld, H.; Kraemer, K.; Meyer, G.","(M9 C4 O)I8 (M= Y, Ho, Er, Lu), redizierte Selten-ErdIodide mit gewellten Metall-Doppelschichten und zwei verschiedenen interstitiellen Atomen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","1384","1388","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1546478","7.42","0.001","9.609","0.002","5.6931","0.0007","90","","90","","90","","405.91","0.11","","","293","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- H2 O5.5 P V -","- H O5.5 P V -","- H4 O22 P4 V4 -","4","0.5","","Leonowicz, M. E.; Johnson, Jack W.; Brody, J. F.; Shannon Jr, H. F.; Newsam, J. M.","Vanadyl hydrogenphosphate hydrates: VO(HPO4).4H2O and VO(HPO4).0.5H2O","Journal of Solid State Chemistry","1985","56","","370","378","","","x-ray","0.71069","MoKα","","","0.041","","","0.042","","","","","","","","","","","has coordinates","198462","2020-10-21","18:00:00",""
"1551899","16.039","0.002","16.038","0.002","9.9156","0.0013","90","","90","","90","","2550.6","0.6","193","2","193","2","","","","","","","chemical synthesis","5","P m m n :2","-P 2ab 2a","59","DCP1","(Acetato)(10-benzo[h]quinolinato)palladium(II) dimer","","- C30 H22 N2 O4 Pd2 -","- C30 H22 N2 O4 Pd2 -","- C120 H88 N8 O16 Pd8 -","4","0.5","","David C. Powers; Tobias Ritter","Bimetallic Pd(III) complexes in palladium-catalysed carbon-heteroatom bond formation","Nature Chemistry","2009","1","","302","309","10.1038/nchem.246","","","0.71073","MoKα","","0.0297","0.0282","","","0.0701","0.0713","","","","","","1.12","","","","has coordinates,has disorder","216562","2020-10-21","18:00:00",""
"1559514","20.55","0.003","5.4364","0.0011","7.4851","0.0011","90","","90","","90","","836.2","0.2","","","293","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","[Bi13 1/3[]2/3 Cu2O16](SO4)6","","","- Bi13.31 Cu2 O40 S6 -","- Bi13.312 Cu2 O40 S6 -","- Bi13.312 Cu2 O40 S6 -","1","0.125","","Aurivillius, Bengt","Crystal Structure of [Bi13 1/3[]2/3 Cu2O16](SO4)6","Acta Chemica Scandinavica","1991","45","","769","774","10.3891/acta.chem.scand.45-0769","","x-ray","0.71069","MoKα","","","0.04","","","0.048","","","","","","","1.5113","","","","has coordinates","259148","2020-11-16","08:44:49",""
"1561589","24.1713","0.0015","16.5887","0.0009","12.6541","0.0006","90","","90","","90","","5073.9","0.5","153.15","","153.15","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- Cs5 O62 P2 W18 -","- Cs5.003 O62 P2 W18 -","- Cs10.006 O124 P4 W36 -","2","0.25","","Ogiwara, Naoki; Tomoda, Masahiro; Miyazaki, Shotaro; Weng, Zhewei; Takatsu, Hiroshi; Kageyama, Hiroshi; Misawa, Toshiyuki; Ito, Takeru; Uchida, Sayaka","Integrating molecular design and crystal engineering approaches in non-humidified intermediate-temperature proton conductors based on a Dawson-type polyoxometalate and poly(ethylene glycol) derivatives.","Nanoscale","2021","13","17","8049","8057","10.1039/d1nr01220g","","x-ray","0.71073","MoKα","","0.1326","0.0969","","","0.2643","0.2956","","","","","","1.049","","","","has coordinates,has disorder","266117","2021-06-05","19:12:50",""
"1562898","7.012","0.003","17.069","0.008","6.273","0.003","90","","90","","90","","750.8","0.6","293","2","293","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Ba3 Hg10 Zn -","- Ba3 Hg10.02 Zn0.98 -","- Ba6 Hg20.04 Zn1.96 -","2","0.25","","Schwarz, Michael; Wendorff, Marco; Röhr, Caroline","The new barium zinc mercurides Ba3ZnHg10 and BaZn0.6Hg3.4 ‒ Synthesis, crystal and electronic structure","Journal of Solid State Chemistry","2012","196","","416","424","10.1016/j.jssc.2012.06.047","","","0.7107","MoKα","","0.1574","0.0657","","","0.1353","0.1645","","","","","","0.863","","","","has coordinates","265538","2021-05-27","07:18:29",""
"1565173","5.446","0.0006","5.7605","0.0008","4.9406","0.0006","90","","90","","90","","154.99","0.03","296","2","296","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- H4 N2 O3 -","- H4 N2 O3 -","- H8 N4 O6 -","2","0.25","","Nesterova, Oksana V.; Kuznetsov, Maxim L.; Pombeiro, Armando J. L.; Shul'pin, Georgiy B.; Nesterov, Dmytro S.","Homogeneous oxidation of C–H bonds with m-CPBA catalysed by a Co/Fe system: mechanistic insights from the point of view of the oxidant","Catalysis Science & Technology","2022","12","1","282","299","10.1039/D1CY01991K","","","0.71073","MoKα","","0.0512","0.0458","","","0.1094","0.1114","","","","","","1.268","","","","has coordinates","272555","2022-02-04","19:03:18",""
"1566055","29.348","0.003","30.145","0.003","18.0453","0.0019","90","","90","","90","","15965","3","296","2","296","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C127 H63.95 Co12 N6 O60 -","- C127.002 H64.074 Co12 N6 O60 -","- C254.004 H128.148 Co24 N12 O120 -","2","0.25","","Ding, Tao; Chen, Jing-Ru; Chen, Jing-Jing; Li, Zi-Yu; Gao, Dan; Zheng, Li-Na; Gao, Zi-Wei","Construction of two new Co(II)-organic frameworks based on diverse metal clusters: Highly selective C2H2 and CO2 capture and magnetic properties","Journal of Solid State Chemistry","2022","305","","122629","","10.1016/j.jssc.2021.122629","","","0.71073","MoKα","","0.1295","0.0828","","","0.2126","0.2344","","","","","","0.95","","","","has coordinates,has disorder","272151","2022-01-20","08:38:35",""
"1566650","6.245","0.0006","6.242","0.0006","5.77577","0.00009","90","","90","","90","","225.15","0.03","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","ice XV","","","- D2 O -","- D2 O -","- D20 O10 -","10","1.25","","Komatsu, K.; Noritake, F.; Machida, S.; Sano-Furukawa, A.; Hattori, T.; Yamane, R.; Kagi, H.","Partially ordered state of ice XV","Scientific Reports","2016","6","","28920","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273844","2022-03-20","08:04:13",""
"1568044","11.4709","0.0016","9.6054","0.0015","10.811","0.002","90","","90","","90","","1191.2","0.3","193","","193","","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C15 H12 B3 N3 O3 -","- C15 H12 B3 N3 O3 -","- C30 H24 B6 N6 O6 -","2","0.25","","Wang, Weize; Wang, Linxia; Du, Fei; Wang, Gang-Ding; Hou, Lei; Zhu, Zhonghua; Liu, Bo; Wang, Yao-Yu","Dative B←N bonds based crystalline organic framework with permanent porosity for acetylene storage and separation.","Chemical science","2023","14","3","533","539","10.1039/d2sc06016g","","","0.71073","MoKα","","0.113","0.0689","","","0.1892","0.2157","","","","","","1.041","","","","has coordinates","281398","2023-03-04","18:05:31",""
"1571563","7.4865","","17.8463","","25.6545","","90","","90","","90","","3427.6","","103","","103","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Na8.154744 O124.8117 Si60 -","- Na8.156 O124.812 Si60 -","- Na8.156 O124.812 Si60 -","1","0.125","","Örs, Taylan; Deroche, Irena; Chatelard, Corentin; Dodin, Mathias; Martinez-Franco, Raquel; Tuel, Alain; Paillaud, Jean-Louis","Determination of Na+ Cation Locations in Nanozeolite ECR-1 Using a 3D ED Method","Symmetry","2024","16","4","477","","10.3390/sym16040477","","electron","0.02508","electron","","0.5174","0.0966","","","0.1798","0.2245","","","","2.7302","2.7302","0.7976","","","","has coordinates","291713","2024-05-06","01:26:35",""
"2002199","4","","9.35","","3.19","","90","","90","","90","","119.3","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Magnesium dicopper oxide","","- Cu2 Mg O3 -","- Cu2 Mg O3 -","- Cu4 Mg2 O6 -","2","0.25","","Drenkhahn, H; Mueller-Buschbaum, Hk","Zur Kenntnis von Mg Cu2 O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1975","418","","116","120","10.1002/zaac.19754180205","","","","","","0.083","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002243","9.85","","4.11","","3.47","","90","","90","","90","","140.5","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Calcium dicopper oxide","","- Ca Cu2 O3 -","- Ca Cu2 O3 -","- Ca2 Cu4 O6 -","2","0.25","","Teske, C L; Mueller-Buschbaum, Hk","Ueber Erdalkalimetall-Oxocuprate. I. Zur Kenntnis von Ca Cu2 O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1969","370","","134","143","10.1002/zaac.19693700305","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002500","9.4085","0.0066","3.9801","0.0019","3.198","0.0008","90","","90","","90","","119.8","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Cobalt dicopper oxide","","- Co Cu2 O3 -","- Co Cu2 O3 -","- Co2 Cu4 O6 -","2","0.25","","Mueller-Buschbaum, Hk; Tomaszewska, A","Das erste Uebergangsmetall-Oxocuprat(II) mit Ca Cu2 O3-Struktur. Zur Kenntnis von Co Cu2 O3 und Ca(1-x) Co(x) Cu2 O3 (x = 0,55)","Zeitschrift fuer Kristallographie (149,1979-)","1991","196","","121","127","","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002501","9.532","0.009","4.015","0.002","3.2841","0.0008","90","","90","","90","","125.7","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","Calcium cobalt copper oxide (0.45/0.55/2/3)","","- Ca0.45 Co0.55 Cu2 O3 -","- Ca0.45 Co0.55 Cu2 O3 -","- Ca0.9 Co1.1 Cu4 O6 -","2","0.25","","Mueller-Buschbaum, Hk; Tomaszewska, A","Das erste Uebergangsmetall-Oxocuprat(II) mit Ca Cu2 O3-Struktur. Zur Kenntnis von Co Cu2 O3 und Ca(1-x) Co(x) Cu2 O3 (x = 0,55)","Zeitschrift fuer Kristallographie (149,1979-)","1991","196","","121","127","","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004654","6.299","0.001","9.432","0.003","6.967","0.002","90","","90","","90","","413.92","0.19","293","1","293","1","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- Cl Cu3 Er O8 Se2 -","- Cl Cu3 Er O8 Se2 -","- Cl2 Cu6 Er2 O16 Se4 -","2","0.25","OH1088","Berrigan, R.; Gatehouse, B. M.","Cu~3~Er(SeO~3~)~2~O~2~Cl, the Erbium Analogue of Francisite","Acta Crystallographica Section C","1996","52","3","496","497","10.1107/S0108270195014120","","","0.71073","MoKα","","","0.034","","","0.039","","","","","0.98","0.98","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004781","12.12","0.003","18.425","0.003","7.11","0.006","90","","90","","90","","1587.7","1.4","296","","296","","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","Di-μ-pyrazolato-bis[(2,2'-bipyridine)platinum(II)] tetrafluoroborate monohydrate","","- C26 H24 B2 F8 N8 O Pt2 -","- C25 H21 B F6 N8 O0.25 Pt -","- C50 H42 B2 F12 N16 O0.5 Pt2 -","2","0.25","KH1064","Sakai, K.; Sato, T.; Tsubomura, T.; Matsumoto, K.","Di-(μ-pyrazolato-<i>N</i>:<i>N</i>')-bis[(2,2'-bipyridine-<i>N</i>,<i>N</i>')platinum(II)] Bis(tetrafluoroborate) Monohydrate","Acta Crystallographica Section C","1996","52","4","783","786","10.1107/S0108270195014326","","","0.71069","MoKα","","","0.0577","","","0.0334","","","","","1.84","1.84","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007864","11.311","0.001","3.61","0.001","4.8","0.001","90","","90","","90","","196","0.07","295","","295","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Na O5 V2 -","- Na O5 V2 -","- Na2 O10 V4 -","2","0.25","SK1183","Meetsma, Auke; de Boer, Jan L.; Damascelli, A.; Jegoudez, J.; Revcolevschi, A.; Palstra, T.T.M.","Inversion Symmetry in the Spin-Peierls Compound α'-NaV~2~O~5~","Acta Crystallographica Section C","1998","54","11","1558","1561","10.1107/S0108270198004855","","","0.71073","MoKα","","0.0176","0.0151","","","","0.0386","","","","","","1.126","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2014406","9.654","0.002","7.769","0.002","5.5692","0.0014","90","","90","","90","","417.7","0.17","174","2","174","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","dimethyldithiocyanatotin(IV)","","- C4 H6 N2 S2 Sn -","- C4 H6 N2 S2 Sn -","- C8 H12 N4 S4 Sn2 -","2","0.25","SK3002","Britton, Doyle","Dimethyl- and diethyldithiocyanatotin(IV)","Acta Crystallographica Section C","2006","62","3","m93","m94","10.1107/S0108270106002034","","","0.71073","MoKα","","0.0096","0.009","","","0.0223","0.0224","","","","","","1.11","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014706","16.0933","0.0002","10.21","0.0001","3.49811","0.00004","90","","90","","90","","574.784","0.011","295","","295","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","sodium calcium orthoborate","","- B4 Ca4 Na4 O12 -","- B4 Ca4 Na4 O12 -","- B8 Ca8 Na8 O24 -","2","0.25","IZ1043","Wu, L.; X.-L. Chen; Li, X.-Z.; Dai, L.; Xu, Y.-P.; Zhao, M.","Synthesis and <i>ab initio</i> X-ray powder diffraction structure of the new alkali and alkali earth metal borate NaCa(BO~3~)","Acta Crystallographica Section C","2005","61","3","i32","i34","10.1107/S010827010401964X","","","1.54056","CuKα~1~","","","","","","","","","","2.06","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014783","5.435","0.001","7.599","0.002","8.938","0.002","90","","90","","90","","369.14","0.14","298","2","298","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","Li (Mo O2)2 (As O4) O","Lithium dioxomolybdenum arsenate oxide","","- As Li Mo2 O9 -","- As Li Mo2 O9 -","- As2 Li2 Mo4 O18 -","2","0.25","DN1082","Hajji, Mounir; Zid, Mohamed Faouzi; Jouini, Tahar","Li(MoO~2~)~2~O(AsO~4~)","Acta Crystallographica Section C","2005","61","5","i57","i58","10.1107/S0108270105009856","","","0.71073","MoKα","","0.023","0.0207","","","0.0557","0.059","","","","","","1.146","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015288","4.1561","0.0006","19.069","0.001","6.8369","0.0005","90","","90","","90","","541.84","0.09","295","2","295","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","Pentaerbium trinickel trialuminum tetragermanide","pentaerbium trinickel trialuminium tetragermanium","","- Al3 Er5 Ge4 Ni3 -","- Al3 Er5 Ge4 Ni3 -","- Al6 Er10 Ge8 Ni6 -","2","0.25","BC1097","Demchenko, Pavlo; Kończyk, Joanna; Demchenko, Grigorii; Gladyshevskii, Roman; Pavlyuk, Volodymyr","Er~5~Ni~3~Al~3~Ge~4~: a quaternary variant of the NbCoB type","Acta Crystallographica Section C","2006","62","5","i29","i31","10.1107/S0108270106009255","","","1.54178","CuKα","","0.0492","0.0431","","","0.1079","0.1106","","","","","","1.164","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015627","6.0925","0.0004","8.644","0.0004","8.3575","0.0004","90","","90","","90","","440.14","0.04","133","2","","","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","Chloro(diethylenetriamine)copper(II) chloride","","- C4 H13 Cl2 Cu N3 -","- C4 H13 Cl2 Cu N3 -","- C8 H26 Cl4 Cu2 N6 -","2","0.25","SQ3036","Pritchard, Robin G.; Ali, Majid; Munim, Abdul; Uddin, Asma","Chloro(diethylenetriamine)copper(II) chloride: a disordered quasi-one-dimensional structure","Acta Crystallographica Section C","2006","62","10","m467","m468","10.1107/S0108270106034305","","","0.71073","MoKα","","","0.03","","","","0.0799","","","","","","1.205","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2020756","11.512","0.003","3.564","0.001","4.368","0.001","90","","90","","90","","179.21","0.08","","","292","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","","","","- O5 V2 -","- O5 V2 -","- O10 V4 -","2","0.25","","Enjalbert, Renee; Galy, Jean","A refinement of the structure of V~2~O~5~","Acta Crystallographica, Section C: Crystal Structure Communications","1986","42","11","1467","1469","10.1107/s0108270186091825","","x-ray","0.71069","MoKα","","","0.02","","","0.027","","","","","","","","","","","has coordinates","200783","2020-10-21","18:00:00",""
"2102987","5.2988","0.0009","10.527","0.002","5.3183","0.0009","90","","90","","90","","296.66","0.09","315","1","315","1","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- O7 Sr V3 -","- O7 Sr V3 -","- O14 Sr2 V6 -","2","0.25","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.0333","0.0313","","","0.0794","0.0802","","","","","","1.213","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102988","5.2979","0.0008","10.529","0.002","5.3139","0.0009","90","","90","","90","","296.42","0.09","298","1","298","1","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- O7 Sr V3 -","- O7 Sr V3 -","- O14 Sr2 V6 -","2","0.25","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.0329","0.0311","","","0.0769","0.0777","","","","","","1.381","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102989","5.2968","0.0008","10.53","0.002","5.3089","0.0009","90","","90","","90","","296.11","0.09","275","1","275","1","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- O7 Sr V3 -","- O7 Sr V3 -","- O14 Sr2 V6 -","2","0.25","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.0337","0.0327","","","0.082","0.0824","","","","","","1.215","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102990","5.2956","0.0008","10.532","0.002","5.3055","0.0009","90","","90","","90","","295.91","0.09","262","1","262","1","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- O7 Sr V3 -","- O7 Sr V3 -","- O14 Sr2 V6 -","2","0.25","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.0339","0.0322","","","0.0772","0.0779","","","","","","1.239","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102991","5.2959","0.0008","10.534","0.002","5.3014","0.0009","90","","90","","90","","295.75","0.09","250","1","250","1","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- O7 Sr V3 -","- O7 Sr V3 -","- O14 Sr2 V6 -","2","0.25","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.0335","0.0314","","","0.0768","0.0776","","","","","","1.243","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102992","5.2954","0.0008","10.534","0.002","5.2952","0.0009","90","","90","","90","","295.38","0.09","225","1","225","1","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- O7 Sr V3 -","- O7 Sr V3 -","- O14 Sr2 V6 -","2","0.25","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.0342","0.0328","","","0.0767","0.077","","","","","","1.387","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102993","5.2934","0.0008","10.537","0.002","5.2889","0.0009","90","","90","","90","","295","0.09","200","1","200","1","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- O7 Sr V3 -","- O7 Sr V3 -","- O14 Sr2 V6 -","2","0.25","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.0348","0.0329","","","0.0795","0.0803","","","","","","1.227","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102994","5.2923","0.0008","10.539","0.002","5.2864","0.0009","90","","90","","90","","294.85","0.09","187","1","187","1","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- O7 Sr V3 -","- O7 Sr V3 -","- O14 Sr2 V6 -","2","0.25","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.0353","0.033","","","0.0779","0.0786","","","","","","1.342","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102995","5.2914","0.0008","10.539","0.002","5.2828","0.0009","90","","90","","90","","294.6","0.09","175","1","175","1","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- O7 Sr V3 -","- O7 Sr V3 -","- O14 Sr2 V6 -","2","0.25","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.0355","0.0335","","","0.0811","0.0817","","","","","","1.22","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102996","5.2909","0.0008","10.544","0.002","5.2763","0.0009","90","","90","","90","","294.35","0.09","150","1","150","1","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- O7 Sr V3 -","- O7 Sr V3 -","- O14 Sr2 V6 -","2","0.25","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.0362","0.0339","","","0.0789","0.0799","","","","","","1.325","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102997","5.2894","0.0008","10.547","0.002","5.2697","0.0009","90","","90","","90","","293.98","0.09","125","1","125","1","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- O7 Sr V3 -","- O7 Sr V3 -","- O14 Sr2 V6 -","2","0.25","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.0366","0.035","","","0.0814","0.0823","","","","","","1.336","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102998","5.2918","0.0012","10.55","0.003","5.2717","0.0014","90","","90","","90","","294.31","0.13","100","1","100","1","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- O7 Sr V3 -","- O7 Sr V3 -","- O14 Sr2 V6 -","2","0.25","BM5051","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure","Acta Crystallographica Section B","2007","63","6","836","842","10.1107/S0108768107050550","","","0.71073","MoKα","","0.0337","0.032","","","0.0784","0.0793","","","","","","1.242","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105414","3.266","","17.177","","5.947","","90","","90","","90","","333.627","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Nb Co B","","- B Co Nb -","- B Co0.982 Nb -","- B10 Co9.82 Nb10 -","10","1.25","","Shoemaker, D.P.; Kripyakevich, P.I.; Kuz'ma, Yu.B.; Brink-Shoemaker, C.; Voroshilov, Yu.V.","The crystal structure of (Nb Co B)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","257","261","10.1107/S0567740871002061","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2202697","6.8084","0.0013","12.071","0.002","6.4224","0.0015","90","","90","","90","","527.82","0.18","293","","293","","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","catena-Poly[[aqua(diformato-κO)copper(II)]-μ-1,4-diazabicyclo[2.2.2]octane- κ^2^N:N']","","- C8 H16 Cu N2 O5 -","- C8 H16 Cu N2 O5 -","- C16 H32 Cu2 N4 O10 -","2","0.25","LH6095","Sieroń, Lesław","<i>catena</i>-Poly[[aqua(diformato-κ<i>O</i>)copper(II)]-μ-1,4-diazabicyclo[2.2.2]octane-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2003","59","9","m803","m805","10.1107/S1600536803017434","","","0.71073","MoKα","","0.0236","0.0232","","","0.0615","0.0618","","","","","","1.227","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204680","6.8202","0.0014","25.024","0.005","6.1958","0.0012","90","","90","","90","","1057.4","0.4","293","2","293","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","catena-poly[[aquabis(p-nitrobenzoate-κO)copper(II)]- μ-1,4-diazabicyclo[2.2.2]octane-κ^2^N:N']","","- C20 H22 Cu N4 O9 -","- C20 H22 Cu N4 O9 -","- C40 H44 Cu2 N8 O18 -","2","0.25","FL6130","Zhi-Dong Lin; Lu, Jin-Yu","The infinite one-dimensional polymer <i>catena</i>-poly[[aquabis(<i>p</i>-nitrobenzoato-κ<i>O</i>)copper(II)]-μ-1,4-diazabicyclo[2.2.2]octane-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2004","60","12","m1798","m1800","10.1107/S1600536804027977","","","0.71073","MoKα","","0.0758","0.074","","","0.1635","0.1642","","","","","","1.377","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205764","11.6604","0.0015","8.0103","0.0011","8.9702","0.0016","90","","90","","90","","837.8","0.2","278","2","293","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","neodymium triiodide nonahydrate","neodymium triiodide nonahydrate","","- H18 I3 Nd O9 -","- I3 Nd O9 -","- I6 Nd2 O18 -","2","0.25","MG6032","Timofte, Tudor; Babai, Arash; Meyer, Gerd; Mudring, Anja","Neodymium triiodide nonahydrate","Acta Crystallographica Section E","2005","61","5","i87","i88","10.1107/S160053680501216X","","","0.71073","MoKα","","0.0652","0.0476","","","0.1312","0.1433","","","","","","1.021","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206090","11.72","0.002","8.0163","0.0015","8.952","0.002","90","","90","","90","","841","0.3","298","2","298","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","praseodymium triiodide nona-hydrate","praseodymium triiodide nonahydrate","","- H18 I3 O9 Pr -","- I3 O9 Pr -","- I6 O18 Pr2 -","2","0.25","WM6064","Timofte, Tudor; Babai, Arash; Meyer, Gerd; Mudring, Anja-Verena","Praseodymium triiodide nonahydrate","Acta Crystallographica Section E","2005","61","6","i94","i95","10.1107/S1600536805012857","","","0.71073","MoKα","","0.0574","0.0501","","","0.13","0.1362","","","","","","1.087","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206575","3.5505","0.001","3.9543","0.0016","8.7","0.003","90","","90","","90","","122.15","0.07","293","2","293","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Scandium(III) oxide bromide","","- Br O Sc -","- Br O Sc -","- Br2 O2 Sc2 -","2","0.25","WM6076","Jongen, Liesbet; Meyer, Gerd","Scandium(III) oxide bromide, ScOBr","Acta Crystallographica Section E","2005","61","8","i153","i154","10.1107/S1600536805019914","","","0.71073","MoKα","","0.0186","0.0178","","","0.0421","0.0423","","","","","","1.119","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2219433","10.292","0.003","12.286","0.004","4.953","0.0015","90","","90","","90","","626.3","0.3","298","2","298","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","1,1',6,6'-methylenebis(tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione) monohydrate","1,3,5,7,9,11,13,15-Octaazapentacyclo[9.5.1.1^3,9^.0^6,18^.0^14,17^]octadecane- 4,8,12,16-tetrone monohydrate","","- C10 H14 N8 O5 -","- C10 H14 N8 O5 -","- C20 H28 N16 O10 -","2","0.25","SJ2521","Ma, Pei-Hua; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu","1,3,5,7,9,11,13,15-Octaazapentacyclo[9.5.1.1^3,9^.0^6,18^.0^14,17^]octadecane-4,8,12,16-tetrone monohydrate: a methylene-bridged glycoluril dimer","Acta Crystallographica Section E","2008","64","9","o1795","","10.1107/S160053680802429X","","","0.71073","MoKα","","0.0382","0.0321","","","0.0841","0.0889","","","","","","1.111","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2221843","11.1317","0.0002","19.4349","0.0003","7.7262","0.0001","90","","90","","90","","1671.51","0.05","123","2","123","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","Di-<i>n</i>-butylbis(<i>N</i>-<i>n</i>-butyl-<i>N</i>-ethyldithiocarbamato- κ<i>S</i>)tin(IV)","","- C22 H46 N2 S4 Sn -","- C23 H46 N2 S4 Sn -","- C46 H92 N4 S8 Sn2 -","2","0.25","TK2428","Baba, Ibrahim; Dzulkefli, Nur Nadia; Ng, Seik Weng","Di-<i>n</i>-butylbis(<i>N</i>-<i>n</i>-butyl-<i>N</i>-ethyldithiocarbamato-κ<i>S</i>)tin(IV)","Acta Crystallographica Section E","2009","65","5","m594","","10.1107/S1600536809014883","","","0.71073","MoKα","","0.078","0.066","","","0.214","0.239","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2232769","7.5222","0.0005","10.5307","0.0011","5.5378","0.0004","90","","90","","90","","438.67","0.06","100","2","100","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","<i>catena</i>-Poly[[diacetonitrilecopper(I)]-μ-dicyanamido]","","- C6 H6 Cu N5 -","- C6 H6 Cu N5 -","- C12 H12 Cu2 N10 -","2","0.25","HP2020","Oelkers, Benjamin; Stricker, Marion; Sundermeyer, Jörg","<i>catena</i>-Poly[[diacetonitrilecopper(I)]-μ-dicyanamido]","Acta Crystallographica Section E","2011","67","12","m1784","","10.1107/S1600536811047052","","","0.71073","MoKα","","0.0326","0.032","","","0.0656","0.066","","","","","","1.125","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240552","14.2723","0.0013","18.3578","0.0017","8.271","0.0008","90","","90","","90","","2167.1","0.4","120","2","120","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","Ba5In4Sb6","Pentabarium tetraindium hexaantimony","","- Ba5 In4 Sb6 -","- Ba5 In4 Sb6 -","- Ba20 In16 Sb24 -","4","0.5","HB7382","Pan, Ming-Yan; Xia, Sheng-Qing; Tao, Xu-Tang","Crystal structure of Ba~5~In~4~Sb~6~","Acta Crystallographica Section E","2015","71","5","i4","","10.1107/S2056989015006933","","","0.71073","MoKα","","0.0432","0.0287","","","0.0504","0.0548","","","","","","1.018","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2300377","3.2735","0.00015","3.02662","0.00012","4.69776","0.00006","90","","90","","90","","46.544","0.003","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","","","","- Ni Si -","- Ni Si -","- Ni2 Si2 -","2","0.25","KS5332","Wood, Ian G.; Ahmed, Jabraan; Dobson, David P.; Vočadlo, Lidunka","High-pressure phase transitions and equations of state in NiSi. III. A new high-pressure phase of NiSi","Journal of Applied Crystallography","2013","46","1","14","24","10.1107/S0021889812047085","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300582","3.4203","","10.0292","","11.0295","","90","","90","","90","","378.344","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","Cd3 (O H)5 (N O3)","","- Cd3 H5 N O8 -","- Cd3 N O8 -","- Cd6 N2 O16 -","2","0.25","","Plevert, J.; Louer, D.; Louer, M.","The Ab Initio Structure Determination of Cd3 (O H)5 N O3 from X-ray Powder Diffraction Data","Journal of Applied Crystallography","1989","22","","470","475","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310595","5.684","","3.977","","5.74","","90","","90","","90","","129.754","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","(C N) Cl","","- C Cl N -","- C Cl N -","- C2 Cl2 N2 -","2","0.25","","Heiart, R.B.; Carpenter, G.B.","The crystal structure of cyanogen chloride","Acta Crystallographica (1,1948-23,1967)","1956","9","","889","895","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"3000425","3.56288","0.00009","11.50615","0.0003","4.37149","0.00012","90","","90","","90","","179.209","0.008","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","V2O5","","","- O5.19 V2 -","- O5.19342 V2 -","- O10.3868 V4 -","2","0.25","","Correal, Sergio; Hernandez-Gomez, Daniel; Esquivel, Andrea Steffania; Cardona-Rodriguez, Alexander; Reiber, Andreas; Gonzalez-Hernandez, Rafael; Ramirez, Juan Gabriel","Tuning electronic and magnetic properties through disorder in V2O5 nanoparticles","Personal communication to COD","2023","","","","","","powder diffraction","","","","","","","","","","","","","1.68","","","","","","","has coordinates","280392","2023-01-17","17:14:05",""
"3000426","3.56442","0.00008","11.51144","0.00027","4.37362","0.00015","90","","90","","90","","179.457","0.008","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","V2O5","","","- O2.54 V -","- O2.54122 V -","- O10.1649 V4 -","4","0.5","","Correal, Sergio; Hernandez-Gomez, Daniel; Esquivel, Andrea Steffania; Cardona-Rodriguez, Alexander; Reiber, Andreas; Gonzalez-Hernandez, Rafael; Ramirez, Juan Gabriel","Tuning electronic and magnetic properties through disorder in V2O5 nanoparticles","Personal communication to COD","2023","","","","","","powder diffraction","","","","","","","","","","","","","1.65","","","","","","","has coordinates","280393","2023-01-17","17:15:15",""
"3000427","3.56462","0.00012","11.512","0.0005","4.37445","0.00025","90","","90","","90","","179.51","0.014","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","V2O5","","","- O2.41 V0.88 -","- O2.41139 V0.88015 -","- O9.64556 V3.5206 -","4","0.5","","Correal, Sergio; Hernandez-Gomez, Daniel; Esquivel, Andrea Steffania; Cardona-Rodriguez, Alexander; Reiber, Andreas; Gonzalez-Hernandez, Rafael; Ramirez, Juan Gabriel","Tuning electronic and magnetic properties through disorder in V2O5 nanoparticles","Personal communication to COD","2023","","","","","","powder diffraction","","","","","","","","","","","","","1.61","","","","","","","has coordinates","280394","2023-01-17","17:15:55",""
"3000428","3.5641","0.00006","11.51208","0.00022","4.37296","0.0001","90","","90","","90","","179.423","0.006","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","V2O5","","","- O2.54 V -","- O2.53894 V -","- O10.1557 V4 -","4","0.5","","Correal, Sergio; Hernandez-Gomez, Daniel; Esquivel, Andrea Steffania; Cardona-Rodriguez, Alexander; Reiber, Andreas; Gonzalez-Hernandez, Rafael; Ramirez, Juan Gabriel","Tuning electronic and magnetic properties through disorder in V2O5 nanoparticles","Personal communication to COD","2023","","","","","","powder diffraction","","","","","","","","","","","","","1.6","","","","","","","has coordinates","280395","2023-01-17","17:16:37",""
"3000429","3.56414","0.00004","11.51106","0.00015","4.37148","0.00006","90","","90","","90","","179.349","0.004","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","V2O5","","","- O10.04 V4.01 -","- O10.037 V4.0086 -","- O10.037 V4.0086 -","1","0.125","","Correal, Sergio; Hernandez-Gomez, Daniel; Esquivel, Andrea Steffania; Cardona-Rodriguez, Alexander; Reiber, Andreas; Gonzalez-Hernandez, Rafael; Ramirez, Juan Gabriel","Tuning electronic and magnetic properties through disorder in V2O5 nanoparticles","Personal communication to COD","2023","","","","","","powder diffraction","","","","","","","","","","","","","1.62","","","","","","","has coordinates","280396","2023-01-17","17:17:42",""
"3000430","3.56457","0.00004","11.51194","0.00016","4.37263","0.00007","90","","90","","90","","179.431","0.004","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","V2O5","","","- O2.44 V0.96 -","- O2.43697 V0.95915 -","- O9.74788 V3.8366 -","4","0.5","","Correal, Sergio; Hernandez-Gomez, Daniel; Esquivel, Andrea Steffania; Cardona-Rodriguez, Alexander; Reiber, Andreas; Gonzalez-Hernandez, Rafael; Ramirez, Juan Gabriel","Tuning electronic and magnetic properties through disorder in V2O5 nanoparticles","Personal communication to COD","2023","","","","","","powder diffraction","","","","","","","","","","","","","1.53","","","","","","","has coordinates","280397","2023-01-17","17:18:31",""
"4002386","7.56754","","18.1187","","26.0606","","90","","90","","90","","3573.27","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","Na0.93 Si5 O10 (H2 O)3.13","","- H6.26 Na0.93 O13.13 Si5 -","- Na0.925 O13.125 Si5 -","- Na11.1 O157.5 Si60 -","12","1.5","","Gualtieri, A.F.; van Beek, W.; Galli, E.; di Renzo, F.; Ferrari, S.","Rietveld structure refinement of zeolite ECR-1","Chemistry of Materials (1,1989-)","2006","18","","76","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","150938","2020-10-21","18:00:00",""
"4002387","7.56244","","18.1924","","26.0953","","90","","90","","90","","3590.16","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","(N H4)2.5 O36.69 Si15","","- H10 N2.5 O36.69 Si15 -","- H10 N2.5 O36.69 Si15 -","- H40 N10 O146.76 Si60 -","4","0.5","","Gualtieri, A.F.; Ferrari, S.; van Beek, W.; di Renzo, F.; Galli, E.","Rietveld structure refinement of zeolite ECR-1","Chemistry of Materials (1,1989-)","2006","18","","76","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","150939","2020-10-21","18:00:00",""
"4002389","7.57214","","18.0739","","25.8438","","90","","90","","90","","3536.93","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","Na12.4 (Ga12.4 Si47.6 O120)","","- Ga12.4 Na12.4 O120 Si47.6 -","- Ga12.402 Na12.3456 O120 Si47.598 -","- Ga12.402 Na12.3456 O120 Si47.598 -","1","0.125","","Han, B.; Chin, C.-H.; Lightfoot, P.; Warrender, S.J.; Hong, S.B.; Camblor, M.A.; Wright, P.A.","Structural chemical zoning in the boundary phase zeolite TNU-7 (EON)","Chemistry of Materials (1,1989-)","2006","18","","3023","3033","","","","","","","","","","","","","","","","","","","","","","has coordinates","150956","2020-10-21","18:00:00",""
"4002732","3.9365","0.0005","3.6131","0.0005","7.5421","0.0009","90","","90","","90","","107.27","0.02","293","2","293","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","titannium nitride","- Ca N2 Ti -","- Ca N2 Ti -","- Ca2 N4 Ti2 -","2","0.25","","Li, Xiaohui; Wang, Xiaoming; Han, Yifeng; Jing, Xiping; Huang, Qingzhen; Kuang, Xiaojun; Gao, Qilong; Chen, Jun; Xing, Xianran","High-Dielectric-Permittivity Layered Nitride CaTiN2","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.6b05226","","","1.5397","","","","","","","","","","","","","","","","","","has coordinates","192856","2020-10-21","18:00:00",""
"4003871","4.0067","0.0002","3.9793","0.0002","6.112","0.0003","90","","90","","90","","97.449","0.008","295","2","295.15","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","","","","- Cu2.9 Te2 -","- Cu1.446 Te -","- Cu2.892 Te2 -","2","0.25","","Yahyaoglu, Mujde; Ozen, Melis; Prots, Yurii; El Hamouli, Oussama; Tshitoyan, Vahe; Ji, Huiwen; Burkhardt, Ulrich; Lenoir, Bertrand; Snyder, G. Jeffrey; Jain, Anubhav; Candolfi, Christophe; Aydemir, Umut","Phase-Transition-Enhanced Thermoelectric Transport in Rickardite Mineral Cu3‒xTe2","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04839","","","0.71073","MoKα","","0.024","0.024","","","0.059","0.06","","","","","","1.197","","","","has coordinates","262168","2021-02-23","23:20:37",""
"4023751","9.645","0.0019","12.712","0.003","7.36","0.0015","90","","90","","90","","902.4","0.3","100","2","100","2","","","","","","","","2","P m m n :2","-P 2ab 2a","59","[9](2,7)pyrenophane","[9](2,7)pyrenophane","","- C25 H26 -","- C25 H26 -","- C50 H52 -","2","0.25","","Michał A. Dobrowolski; Michał K. Cyrański; Bradley L. Merner; Graham J. Bodwell; Judy I. Wu; von Ragué Schleyer, Paul","Interplay of π-Electron Delocalization and Strain in [n](2,7)Pyrenophanes","Journal of Organic Chemistry","2008","73","","8001","8009","10.1021/jo8014159","","","0.71073","MoKα","","0.0934","0.042","","","0.0746","0.09","","","","","","0.95","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023752","9.708","0.0019","13.081","0.003","7.337","0.0015","90","","90","","90","","931.7","0.3","100","2","100","2","","","","","","","","2","P m m n :2","-P 2ab 2a","59","[10](2,7)pyrenophane","[10](2,7)pyrenophane","","- C26 H28 -","- C26 H28 -","- C52 H56 -","2","0.25","","Michał A. Dobrowolski; Michał K. Cyrański; Bradley L. Merner; Graham J. Bodwell; Judy I. Wu; von Ragué Schleyer, Paul","Interplay of π-Electron Delocalization and Strain in [n](2,7)Pyrenophanes","Journal of Organic Chemistry","2008","73","","8001","8009","10.1021/jo8014159","","","0.71073","MoKα","","0.0409","0.0358","","","0.0986","0.1027","","","","","","1.071","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4031438","15.089","","11.753","","9.113","","90","","90","","90","","1616.11","","","","","","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","K6.68 (Mo O4).34 (Mo2 (C N)12 S) (H2 O)5.32","","- C12 H10.64 K6.68 Mo2.34 N12 O6.68 S -","- C12 K6.68 Mo2.34 N12 O6.68 S -","- C24 K13.36 Mo4.68 N24 O13.36 S2 -","2","0.25","","Drew, M.G.B.; Mitchell, P.C.H.; Pygall, C.F.","Potassium mue-thio-bis(hexacyano-molybdate(IV)), K6(Mo2 (C N)12 S). The crystal structure of its double salt with potassium tetraoxomolybdate(VI) and a discussion of molybdenum-sulphur bond lengths and bond orders","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1979","1979","","1213","1219","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4067101","9.469","0.002","10.559","0.003","6.18","0.002","90","","90","","90","","617.9","0.3","100","2","100","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- C10 H19 Li2 N3 -","- C10 H19 Li2 N3 -","- C20 H38 Li4 N6 -","2","0.25","","Michel, Reent; Herbst-Irmer, Regine; Stalke, Dietmar","Unprecedented CpLi Ammoniacates","Organometallics","2010","29","23","6169","","10.1021/om100831v","","","0.71073","MoKα","","0.0468","0.0398","","","0.1094","0.1133","","","","","","1.121","","","","has coordinates,has disorder","178562","2020-10-21","18:00:00",""
"4071876","13.041","0.004","14.089","0.004","8.462","0.002","90","","90","","90","","1554.8","0.7","100","2","100","2","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- C26 H53 B F4 O2 Os P2 -","- C26 H53 B F4 O2 Os P2 -","- C52 H106 B2 F8 O4 Os2 P4 -","2","0.25","","Buil, María L.; Esteruelas, Miguel A.; Garcés, Karin; Oliván, Montserrat; Oñate, Enrique","Cβ(sp2)−H Bond Activation of α,β-Unsaturated Ketones Promoted by a Hydride-Elongated Dihydrogen Complex: Formation of Osmafuran Derivatives with Carbene, Carbyne, and NH-Tautomerized α-Substituted Pyridine Ligands","Organometallics","2008","27","18","4680","","10.1021/om800439g","","","0.71073","MoKα","","0.0638","0.0588","","","0.1339","0.1361","","","","","","1.094","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4076002","10.736","0.0007","11.0577","0.0007","8.0243","0.0005","90","","90","","90","","952.61","0.1","193","2","193","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C13 H23 Cr F6 O2 P3 -","- C13 H23 Cr F6 O2 P3 -","- C26 H46 Cr2 F12 O4 P6 -","2","0.25","","Norman, David W.; McDonald, Robert; Stryker, Jeffrey M.","Thermally Stable Chromium(III)η3-Allyl Complexes. Direct Structural Comparison of Neutral Chromium(II) and Cationic Chromium(III)η3-Allyl Redox Isomers","Organometallics","2005","24","18","4461","","10.1021/om050415z","","","0.71073","MoKα","","0.0347","0.0333","","","0.0854","0.0869","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078672","16.321","0.0009","7.198","0.0004","5.013","0.0002","90","","90","","90","","588.92","0.05","153","2","153","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","dimethylsilanediyl bis(ethylcarbamate)","","- C8 H18 N2 O4 Si -","- C8 H18 N2 O4 Si -","- C16 H36 N4 O8 Si2 -","2","0.25","","Kraushaar, Konstantin; Wiltzsch, Conny; Wagler, Jörg; Böhme, Uwe; Schwarzer, Anke; Roewer, Gerhard; Kroke, Edwin","From CO2to Polysiloxanes: Di(carbamoyloxy)silanes Me2Si[(OCO)NRR′]2as Precursors for PDMS","Organometallics","2012","31","13","4779","","10.1021/om300313f","","","0.71073","MoKα","","0.0303","0.0277","","","0.0759","0.0784","","","","","","1.048","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4081783","9.986","0.002","10.679","0.003","9.44","0.003","90","","90","","90","","1006.7","0.5","103","2","103","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C11 H20 Al B Cl6 N2 -","- C11 H20 Al B Cl6 N2 -","- C22 H40 Al2 B2 Cl12 N4 -","2","0.25","","Muthaiah, Senthilkumar; Do, Dinh Cao Huan; Ganguly, Rakesh; Vidović, Dragoslav","Counterion Dependence on the Synthetic Viability of NHC-stabilized Dichloroborenium Cations","Organometallics","2013","32","22","6718","","10.1021/om400541q","","","0.71073","MoKα","","0.0712","0.0542","","","0.1298","0.1366","","","","","","1.208","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4088540","13.8939","0.0013","17.3468","0.0017","11.7131","0.0011","90","","90","","90","","2823","0.5","296","2","296.15","","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C46 H66 Lu2 N16 Si -","- C47 H42 Lu2 N16 Si -","- C94 H84 Lu4 N32 Si2 -","2","0.25","","Li, Tengfei; Zhang, Guangchao; Guo, Jingjing; Wang, Shaowu; Leng, Xuebing; Chen, Yaofeng","Tris(pyrazolyl)methanide Complexes of Trivalent Rare-Earth Metals","Organometallics","2016","35","10","1565","","10.1021/acs.organomet.6b00166","","","0.71073","MoKα","","0.0553","0.0434","","","0.1111","0.1185","","","","","","1.069","","","","has coordinates,has disorder","237654","2020-10-21","18:00:00",""
"4103195","16.039","0.002","16.038","0.002","9.9156","0.0013","90","","90","","90","","2550.6","0.6","193","2","193","2","","","","","","","chemical synthesis","5","P m m n :2","-P 2ab 2a","59","DCP1","(Acetato)(10-benzo[h]quinolinato)palladium(II) dimer","","- C30 H22 N2 O4 Pd2 -","- C30 H22 N2 O4 Pd2 -","- C120 H88 N8 O16 Pd8 -","4","0.5","","David C. Powers; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Tobias Ritter","Bimetallic Reductive Elimination from Dinuclear Pd(III) Complexes","Journal of the American Chemical Society","2010","132","","14092","14103","10.1021/ja1036644","","","0.71073","MoKα","","0.0297","0.0282","","","0.0701","0.0713","","","","","","1.12","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103825","11.0618","0.0018","5.9755","0.001","6.3873","0.0011","90","","90","","90","","422.2","0.12","149","2","149","2","","","","","","","","2","P m m n :2","-P 2ab 2a","59","","","","- Br3 Tc -","- Br3 Tc -","- Br12 Tc4 -","4","0.5","","Frederic Poineau; Efrain E. Rodriguez; Paul M. Forster; Alfred P. Sattelberger; Anthony K. Cheetham; Kenneth R. Czerwinski","Preparation of the Binary Technetium Bromides: TcBr3 and TcBr4","Journal of the American Chemical Society","2009","131","","910","911","10.1021/ja808597r","","","0.71073","MoKα","","0.0777","0.062","","","0.1799","0.1887","","","","","","1.028","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4104546","12.6692","0.0003","21.3336","0.0005","7.9208","0.0002","90","","90","","90","","2140.83","0.09","173","2","173","2","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- C11.75 H7.75 Ag0.25 B0.25 F1.25 N2 O2 -","- C11.75 H7.75 Ag0.25 B0.25 F1.25 N2 O2 -","- C94 H62 Ag2 B2 F10 N16 O16 -","8","1","","Ming-Liang Ma; Xiao-Yan Li; Ke Wen","Coordination-Driven Self-Assembly of a Discrete Molecular Cage and an Infinite Chain of Coordination Cages Based on ortho-Linked Oxacalix[2]benzene[2]pyrazine and Oxacalix[2]arene[2]pyrazine","Journal of the American Chemical Society","2009","131","","8338","8339","10.1021/ja900291w","","","0.71073","MoKα","","0.0446","0.0424","","","0.112","0.116","","","","","","1.091","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4105191","24.7594","0.0008","7.9014","0.0003","21.7277","0.0006","90","","90","","90","","4250.7","0.2","173","2","173","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C66 H22 F30 O8 S3 -","- C66 H12 F30 O8.004 S3 -","- C132 H24 F60 O16.008 S6 -","2","0.25","","J. Sreedhar Reddy; Venkataramanarao G. Anand","Aromatic Expanded Isophlorins: Stable 30π Annulene Analogues with Diverse Structural Features","Journal of the American Chemical Society","2009","131","","15433","15439","10.1021/ja906290d","","","0.71073","MoKα","","0.1582","0.1161","","","0.2816","0.3325","","","","","","1.383","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4111348","14.761","0.002","25.593","0.004","11.5284","0.0019","90","","90","","90","","4355.2","1.2","90","1","","","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C28.5 H24.5 Cu3 N20 O3.75 W2 -","- C28.5 H8 Cu3 N20 O3.75 W2 -","- C114 H32 Cu12 N80 O15 W8 -","4","0.5","","Shin-ichi Ohkoshi; Yoshihide Tsunobuchi; Hitomi Takahashi; Toshiya Hozumi; Motoo Shiro; Kazuhito Hashimoto","Synthesis and Alcohol Vapor Sensitivity of a Ferromagnetic Copper-Tungsten Bimetallic Assembly","Journal of the American Chemical Society","2007","129","","3084","3085","10.1021/ja069353+","","","0.71075","MoKα","","","0.0441","","","","0.1244","","","","","","1.084","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111962","11.00658","0.00016","3.95831","0.0002","6.85542","0.00029","90","","90","","90","","298.67","0.02","","","","","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- Cu0.73 La Mo0.25 O3 Zn0.03 -","- Cu0.725 La Mo0.25 O3 Zn0.025 -","- Cu2.9 La4 Mo O12 Zn0.1 -","4","0.5","","Guobao Li; Liping You; Wutao Wei; Yue Lu; Jing Ju; Anders Wannberg; Håkan Rundlöf; Xiaodong Zou; Tao Yang; Shujian Tian; Fuhui Liao; Naoki Toyota; Jianhua Lin","La4Cu3-xZnxMoO12: Zinc-Doped Cuprates with Kagomé Lattices","Journal of the American Chemical Society","2005","127","","14094","14099","10.1021/ja053489a","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.08048","","2.89","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4115407","14.063","0.003","7.4093","0.0015","15.285","0.003","90","","90","","90","","1592.7","0.6","293","2","293","2","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- C8.6 H18.8 F4 N2 O23 Si9 U2 -","- C8.64 F4 N1.99 O23 Si9 U2 -","- C17.28 F8 N3.98 O46 Si18 U4 -","2","0.25","","Xiqu Wang; Jin Huang; Allan J. Jacobson","[(CH3)4N][(C5H5NH)0.8((CH3)3NH)0.2]U2Si9O23F4(USH-8): An Organically Templated Open-Framework Uranium Silicate","Journal of the American Chemical Society","2002","124","","15190","15191","10.1021/ja0288284","","","0.71073","MoKα","","0.1467","0.0558","","","0.0837","0.1003","","","","","","0.861","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118076","17.198","0.003","7.6587","0.0015","10.144","0.002","90","","90","","90","","1336.1","0.4","293","2","293","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- Ce5 F2 Li14 N19 O7 Si11 -","- Ce5 F2 Li14 N19 O7 Si11 -","- Ce10 F4 Li28 N38 O14 Si22 -","2","0.25","","Saskia Lupart; Giuliano Gregori; Joachim Maier; Wolfgang Schnick","Li14Ln5[Si11N19O5]O2F2 with Ln = Ce, Nd - Representatives of a Family of Potential Lithium Ion Conductors","Journal of the American Chemical Society","2012","134","","10132","10137","10.1021/ja302255d","","","0.71073","MoKα","","0.0699","0.0409","","","0.0896","0.0971","","","","","","0.876","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118077","17.126","0.003","7.6155","0.0015","10.123","0.002","90","","90","","90","","1320.3","0.4","293","2","293","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- F2 Li14 N19 Nd5 O7 Si11 -","- F2 Li14 N19 Nd5 O7 Si11 -","- F4 Li28 N38 Nd10 O14 Si22 -","2","0.25","","Saskia Lupart; Giuliano Gregori; Joachim Maier; Wolfgang Schnick","Li14Ln5[Si11N19O5]O2F2 with Ln = Ce, Nd - Representatives of a Family of Potential Lithium Ion Conductors","Journal of the American Chemical Society","2012","134","","10132","10137","10.1021/ja302255d","","","0.71073","MoKα","","0.0678","0.0419","","","0.0929","0.1005","","","","","","0.893","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118342","16.039","0.002","16.038","0.002","9.9156","0.0013","90","","90","","90","","2550.6","0.6","193","2","193","2","","","","","","","chemical synthesis","5","P m m n :2","-P 2ab 2a","59","DCP1","(Acetato)(10-benzo[h]quinolinato)palladium(II) dimer","","- C30 H22 N2 O4 Pd2 -","- C30 H22 N2 O4 Pd2 -","- C120 H88 N8 O16 Pd8 -","4","0.5","","David C. Powers; Eunsung Lee; Alireza Ariafard; Melanie S. Sanford; Brian F. Yates; Allan J. Canty; Tobias Ritter","Connecting Binuclear Pd(III) and Mononuclear Pd(IV) Chemistry by Pd-Pd Bond Cleavage","Journal of the American Chemical Society","2012","134","","12002","12009","10.1021/ja304401u","","","0.71073","MoKα","","0.0297","0.0282","","","0.0701","0.0713","","","","","","1.12","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118451","11.8617","0.0006","11.9511","0.0005","8.5065","0.0003","90","","90","","90","","1205.88","0.09","298","2","298","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Ce Ga7.79 Pd3.21 -","- Ce Ga7.79333 Pd3.20667 -","- Ce6 Ga46.76 Pd19.24 -","6","0.75","","Melanie C. Francisco; Christos D. Malliakas; Robin T. Macaluso; Joseph Prestigiacomo; Neel Haldolaarachchige; Philip W. Adams; David P. Young; Ying Jia; Helmut Claus; K.E. Gray; Mercouri G. Kanatzidis","Structures and Phase Transitions of CePd3+xGa8-x: New Variants of the BaHg11 Structure Type","Journal of the American Chemical Society","2012","134","","12998","13009","10.1021/ja302812s","","","0.71073","MoKα","","0.0501","0.0417","","","0.0942","0.0988","","","","","","1.095","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118453","11.88226","0.00002","11.97582","0.00002","8.533818","0.000015","90","","90","","90","","1214.36","0.004","295","","295","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Ce Ga7.819 Pd3.181 -","- Ce Ga7.79867 Pd3.20133 -","- Ce6 Ga46.792 Pd19.208 -","6","0.75","","Melanie C. Francisco; Christos D. Malliakas; Robin T. Macaluso; Joseph Prestigiacomo; Neel Haldolaarachchige; Philip W. Adams; David P. Young; Ying Jia; Helmut Claus; K.E. Gray; Mercouri G. Kanatzidis","Structures and Phase Transitions of CePd3+xGa8-x: New Variants of the BaHg11 Structure Type","Journal of the American Chemical Society","2012","134","","12998","13009","10.1021/ja302812s","powder diffraction","x-ray","0.41361","","","0.0397","0.0385","","0.0441","0.0439","","","","1.42","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119605","20.358","0.004","25.828","0.005","8.0684","0.0016","90","","90","","90","","4242.4","1.4","148","2","148","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C72 H76 Cl4 Fe4 N32 O20 -","- C72 H64 Cl4 Fe4 N32 O20 -","- C144 H128 Cl8 Fe8 N64 O40 -","2","0.25","","Yi-Tong Wang; Shu-Tao Li; Shu-Qi Wu; Ai-Li Cui; De-Zhong Shen; Hui-Zhong Kou","Spin Transitions in Fe(II) Metallogrids Modulated by Substituents, Counteranions, and Solvents","Journal of the American Chemical Society","2013","135","","5942","5945","10.1021/ja312622c","","","0.71073","MoKα","","0.1152","0.0842","","","0.2127","0.235","","","","","","1.081","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119607","21.262","0.004","25.265","0.005","8.0593","0.0016","90","","90","","90","","4329.3","1.5","153","2","153","2","","","","","","","","8","P m m n :2","-P 2ab 2a","59","","","","- C64 H58 B4 Br8 F16 Fe4 N32 O7 -","- C64 H44 B4 Br8 F16 Fe4 N32 O6 -","- C128 H88 B8 Br16 F32 Fe8 N64 O12 -","2","0.25","","Yi-Tong Wang; Shu-Tao Li; Shu-Qi Wu; Ai-Li Cui; De-Zhong Shen; Hui-Zhong Kou","Spin Transitions in Fe(II) Metallogrids Modulated by Substituents, Counteranions, and Solvents","Journal of the American Chemical Society","2013","135","","5942","5945","10.1021/ja312622c","","","0.71073","MoKα","","0.0804","0.0729","","","0.1709","0.1757","","","","","","1.124","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4123210","13.1534","0.0007","19.312","0.001","9.2366","0.0005","90","","90","","90","","2346.3","0.2","296","2","296","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C38 H84 N2 O Pt Sn2 -","- C38 H84 N2 O Pt Sn2 -","- C76 H168 N4 O2 Pt2 Sn4 -","2","0.25","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0569","0.0437","","","0.1062","0.1118","","","","","","1.08","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123217","13.9304","0.0009","19.0073","0.0013","9.4382","0.0006","90","","90","","90","","2499","0.3","293","2","296","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C35 H72 N2 O Pt Sn2 -","- C35 H72 N2 O Pt Sn2 -","- C70 H144 N4 O2 Pt2 Sn4 -","2","0.25","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0632","0.0442","","","0.1369","0.1507","","","","","","1.133","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123416","12.3722","0.0016","4.0997","0.0007","9.3435","0.0014","90","","90","","90","","473.92","0.12","293","2","293","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- Au Bi Pb2 S3 Te2 -","- Au Bi Pb2 S3 Te2 -","- Au2 Bi2 Pb4 S6 Te4 -","2","0.25","","Fang, Lei; Im, Jino; Stoumpos, Constantinos C.; Shi, Fengyuan; Dravid, Vinayak; Leroux, Maxime; Freeman, Arthur J.; Kwok, Wai-Kwong; Chung, Duck Young; Kanatzidis, Mercouri","Two-Dimensional Mineral [Pb2BiS3][AuTe2]: High-Mobility Charge Carriers in Single-Atom-Thick Layers.","Journal of the American Chemical Society","2015","137","6","2311","2317","10.1021/ja5111688","","","0.71073","MoKα","","0.0867","0.0632","","","0.1465","0.1565","","","","","","1.053","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4124614","3.8833","","10.6202","","3.2791","","90","","90","","90","","135.235","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Sr (Cu2 O3)","","- Cu2 O3 Sr -","- Cu2 O3 Sr -","- Cu4 O6 Sr2 -","2","0.25","","Azuma, M.; Yoshida, H.; Saito, T.; Yamada, T.; Takano, M.","Pressure-induced buckling of spin ladder in Sr Cu2 O3","Journal of the American Chemical Society","2004","126","","8244","8246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4133013","6.9848","0.0008","14.498","0.001","8.2571","0.0007","90","","90","","90","","836.16","0.13","100","0.1","100","0.1","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C16 H15 N3 O6 U -","- C16 H14.5 N3 O6 U -","- C32 H29 N6 O12 U2 -","2","0.25","","Faizova, Radmila; Scopelliti, Rosario; Chauvin, Anne-Sophie; Mazzanti, Marinella","Synthesis and Characterization of a Water Stable Uranyl(V) Complex.","Journal of the American Chemical Society","2018","140","42","13554","13557","10.1021/jacs.8b07885","","x-ray","1.54184","CuKα","","0.1024","0.1015","","","0.2511","0.2591","","","","","","1.17","","","","has coordinates,has disorder","242866","2020-10-21","18:00:00",""
"4133227","25.9719","0.0005","23.5149","0.0006","18.9224","0.0003","90","","90","","90","","11556.4","0.4","150.01","0.1","150.01","0.1","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- Co8 Fe8 Na13 O233 P4 Si4 W36 -","- Co8 Fe8 Na13 O233 P4 Si4 W36 -","- Co16 Fe16 Na26 O466 P8 Si8 W72 -","2","0.25","","Han, Xin-Bao; Tang, Xing-Yan; Lin, Yue; Gracia-Espino, Eduardo; Liu, San-Gui; Liang, Hai-Wei; Hu, Guang-Zhi; Zhao, Xin-Jing; Liao, Hong-Gang; Tan, Yuan-Zhi; Wagberg, Thomas; Xie, Su-Yuan; Zheng, Lan-Sun","Ultrasmall Abundant Metal-Based Clusters as Oxygen-Evolving Catalysts.","Journal of the American Chemical Society","2019","141","1","232","239","10.1021/jacs.8b09076","","","1.54184","CuKα","","0.0809","0.0644","","","0.1731","0.1903","","","","","","1.055","","","","has coordinates,has disorder","243064","2020-10-21","18:00:00",""
"4133228","23.4377","0.0004","25.9959","0.0005","18.9014","0.0004","90","","90","","90","","11516.3","0.4","100.01","0.1","100.01","0.1","","","","","","","","8","P m m n :2","-P 2ab 2a","59","","","","- C8 Co12 Fe4 Na19 O232 P4 Si4 W36 -","- C8 Co12 Fe4 Na19 O234 P4 Si4 W36 -","- C16 Co24 Fe8 Na38 O468 P8 Si8 W72 -","2","0.25","","Han, Xin-Bao; Tang, Xing-Yan; Lin, Yue; Gracia-Espino, Eduardo; Liu, San-Gui; Liang, Hai-Wei; Hu, Guang-Zhi; Zhao, Xin-Jing; Liao, Hong-Gang; Tan, Yuan-Zhi; Wagberg, Thomas; Xie, Su-Yuan; Zheng, Lan-Sun","Ultrasmall Abundant Metal-Based Clusters as Oxygen-Evolving Catalysts.","Journal of the American Chemical Society","2019","141","1","232","239","10.1021/jacs.8b09076","","","1.54184","CuKα","","0.0915","0.0821","","","0.2188","0.2347","","","","","","1.056","","","","has coordinates,has disorder","243065","2020-10-21","18:00:00",""
"4300700","16.504","0.003","28.009","0.005","11.859","0.002","90","","90","","90","","5482.1","1.7","193","2","193","2","","","","","","","","9","P m m n :2","-P 2ab 2a","59","","","","- C72 H104 F12 Hg7 I8 N12 O12 P2 S8 -","- C72 H104 F12 Hg7 I8 N12 O12 P2 S8 -","- C144 H208 F24 Hg14 I16 N24 O24 P4 S16 -","2","0.25","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051875n","","","","","","","","","","","","","","","","","","","","","has coordinates","179045","2020-10-21","18:00:00",""
"4303704","12.162","0.002","18.058","0.004","8.6573","0.0017","90","","90","","90","","1901.3","0.6","293","2","293","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","Dodecapotassium Henicosigold Tetrastannide","","","- Au21 K12 Sn4 -","- Au21 K12 Sn4 -","- Au42 K24 Sn8 -","2","0.25","","Bin Li; Sung-Jin Kim; Gordon J. Miller; John D. Corbett","Synthesis, Structure, and Bonding in K12Au21Sn4. A Polar Intermetallic Compound with Dense Au20 and Open AuSn4 Layers","Inorganic Chemistry","2009","48","","11108","11113","10.1021/ic901493j","","","0.71073","MoKα","","0.0735","0.0473","","","0.1049","0.1147","","","","","","0.935","","","","has coordinates","179075","2020-10-21","18:00:00",""
"4304502","4.6614","0.0009","7.6587","0.0015","9.2705","0.0019","90","","90","","90","","330.96","0.11","293","2","293","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Au3 K Sn3 -","- Au3 K Sn3 -","- Au6 K2 Sn6 -","2","0.25","","Bin Li; John D. Corbett","Similar K@Au10Sn10 Polyhedra in the Markedly Different Structures of KAu4Sn6 and KAu3Sn3. Syntheses and Characterization","Inorganic Chemistry","2008","47","","3610","3616","10.1021/ic701997x","","","0.71073","MoKα","","0.0425","0.0406","","","0.0893","0.09","","","","","","0.993","","","","has coordinates","179083","2020-10-21","18:00:00",""
"4304910","17.01","0.008","17.712","0.009","6.801","0.004","90","","90","","90","","2049","1.9","100","2","100","2","","","","","","","","8","P m m n :2","-P 2ab 2a","59","","","","- C28 H44 Cu2 F12 N8 O4 P2 S2 -","- C28 H44 Cu2 F12 N8 O4 P2 S2 -","- C56 H88 Cu4 F24 N16 O8 P4 S4 -","2","0.25","","Lei Zhou; Kenneth M. Nicholas","Imidazole Substituent Effects on Oxidative Reactivity of Tripodal(imid)2(thioether)CuI Complexes","Inorganic Chemistry","2008","47","","4356","4367","10.1021/ic800007t","","","0.71073","MoKα","","0.0901","0.0718","","","0.1947","0.2147","","","","","","1.027","","","","has coordinates,has disorder","179087","2020-10-21","18:00:00",""
"4313465","14.8","0.02","14.54","0.02","7.325","0.01","90","","90","","90","","1576","4","293","2","293","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C9 H10 Cu2 N2 O11.5 -","- C9 H10 Cu2 N2 O11.5 -","- C36 H40 Cu8 N8 O46 -","4","0.5","","Sanjit Konar; Partha Sarathi Mukherjee; Michael G. B. Drew; Joan Ribas; Nirmalendu Ray Chaudhuri","Syntheses of Two New 1D and 3D Networks of Cu(II) and Co(II) Using Malonate and Urotropine as Bridging Ligands: Crystal Structures and Magnetic Studies","Inorganic Chemistry","2003","42","","2545","2552","10.1021/ic020549u","","","0.71073","MoKα","","0.1408","0.0852","","","0.2231","0.2594","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313826","16.135","0.003","3.813","0.001","8.131","0.002","90","","90","","90","","500.2","0.2","293","2","293","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- I11 S Ta4 -","- I11.068 S0.932 Ta4.108 -","- I11.068 S0.932 Ta4.108 -","1","0.125","","Mark D. Smith; Gordon J. Miller","Synthesis and Structure of Ta4SI11: Disorder and Mixed Valency in the First Tantalum Sulfide Iodide","Inorganic Chemistry","2003","42","","4165","4170","10.1021/ic034075q","","","0.71073","MoKα","","0.0503","0.0322","","0.0762","0.0695","","","","1.054","1.098","1.098","","","","","has coordinates","179204","2020-10-21","18:00:00",""
"4315027","10.8881","0.0009","25.753","0.002","12.5436","0.001","90","","90","","90","","3517.2","0.5","295","2","295","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","Lanthanum iron arsenide (12/57.5/41)","Lanthanum iron arsenide (12/57.5/41)","","- As82 Fe115 La24 -","- As82 Fe115 La24 -","- As82 Fe115 La24 -","1","0.125","","Stanislav S. Stoyko; Peter E. R. Blanchard; Arthur Mar","Ternary Rare-Earth Iron Arsenides RE12Fe57.5As41 (RE = La, Ce)","Inorganic Chemistry","2010","49","","2325","2333","10.1021/ic902231b","","","0.71073","MoKα","","0.0659","0.0411","","","0.0904","0.0945","","","","","","0.97","","","","has coordinates","179230","2020-10-21","18:00:00",""
"4315028","10.8376","0.0008","25.6389","0.0019","12.4701","0.0009","90","","90","","90","","3465","0.4","295","2","295","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","Cerium iron arsenide (12/57.5/41)","Cerium iron arsenide (12/57.5/41)","","- As82 Ce24 Fe115 -","- As82 Ce24 Fe115 -","- As82 Ce24 Fe115 -","1","0.125","","Stanislav S. Stoyko; Peter E. R. Blanchard; Arthur Mar","Ternary Rare-Earth Iron Arsenides RE12Fe57.5As41 (RE = La, Ce)","Inorganic Chemistry","2010","49","","2325","2333","10.1021/ic902231b","","","0.71073","MoKα","","0.0606","0.0424","","","0.1038","0.1108","","","","","","1.03","","","","has coordinates","179230","2020-10-21","18:00:00",""
"4315618","12.6509","0.0011","17.0655","0.0014","25.783","0.002","90","","90","","90","","5566.4","0.8","92","2","92","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","[(NapTMAA)Ni].C60.2CS2","","","- C92 H26 N4 Ni S4 -","- C92 H26 N4 Ni S4 -","- C368 H104 N16 Ni4 S16 -","4","0.5","","Jimmy U. Franco; Justin C. Hammons; Daniel Rios; Marilyn M. Olmstead","New Tetraazaannulene Hosts for Fullerenes","Inorganic Chemistry","2010","49","","5120","5125","10.1021/ic1002513","","","0.71073","MoKα","","0.0908","0.0641","","","0.1524","0.173","","","","","","1.092","","","","has coordinates","179236","2020-10-21","18:00:00",""
"4316288","13.1534","0.0007","19.312","0.001","9.2366","0.0005","90","","90","","90","","2346.3","0.2","296","2","296","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C38 H84 N2 O Pt Sn2 -","- C38 H84 N2 O Pt Sn2 -","- C76 H168 N4 O2 Pt2 Sn4 -","2","0.25","","Veeranna Yempally; Lei Zhu; Burjor Captain","Reversible Hydrogen Activation by the Pt Complex Pt(SntBu3)2(CNtBu)2","Inorganic Chemistry","2010","49","","7238","7240","10.1021/ic101025h","","","0.71073","MoKα","","0.0569","0.0437","","","0.1062","0.1118","","","","","","1.08","","","","has coordinates","179242","2020-10-21","18:00:00",""
"4321901","4.2606","0.0006","4.7944","0.0007","9.4429","0.0013","90","","90","","90","","192.89","0.05","293","2","293","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","BaCrS2","Barium Chromium Disulfide","","- Ba Cr S2 -","- Ba Cr S2 -","- Ba2 Cr2 S4 -","2","0.25","","Omar Fuentes; Chong Zheng; Catherine E. Check; Jianhua Zhang; Gerardo Chacon","Synthesis and Structural Analysis of BaCrS2","Inorganic Chemistry","1999","38","","1889","1893","10.1021/ic980609p","","","0.71073","MoKα","","0.0381","0.0335","","0.0831","0.0808","","","","1.063","1.101","1.101","","","","","has coordinates","179322","2020-10-21","18:00:00",""
"4328716","24.142","0.002","35.78","0.007","9.209","0.001","90","","90","","90","","7954.7","1.9","113","2","113","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C40 H40 Cu5 I5 N24 -","- C40 H40 Cu5 I5 N24 -","- C160 H160 Cu20 I20 N96 -","4","0.5","","Jin-Cheng Wu; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Structural Diversity in Coordination Self-Assembled Networks of a Multimodal Ligand Azacalix[4]pyrazine","Inorganic Chemistry","2012","51","","3860","3867","10.1021/ic3000679","","","0.71075","MoKα","","0.094","0.0729","","","0.193","0.2069","","","","","","1.04","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4329116","15.485","0.003","17.491","0.004","12.434","0.003","90","","90","","90","","3367.7","1.3","90","2","90","2","","","","","","","","8","P m m n :2","-P 2ab 2a","59","","","","- C6 H0 Fe La4 Mo12 N6 O72 P -","- C6 Fe La4 Mo12 N6 O72 P -","- C12 Fe2 La8 Mo24 N12 O144 P2 -","2","0.25","","Jean-Daniel Compain; Koji Nakabayashi; Shin-ichi Ohkoshi","A Polyoxometalate-Cyanometalate Multilayered Coordination Network","Inorganic Chemistry","2012","51","","4897","4899","10.1021/ic300263f","","","0.6889","synchrotron","","0.1027","0.0549","","","0.1191","0.1318","","","","","","0.895","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329526","7.85371","0.00007","23.5462","0.00014","7.85676","0.00007","90","","90","","90","","1452.91","0.02","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Na Nb O3 -","- Na Nb O3 -","- Na24 Nb24 O72 -","24","3","","Martin D. Peel; Stephen P. Thompson; Aziz Daoud-Aladine; Sharon E. Ashbrook; Philip Lightfoot","New Twists on the Perovskite Theme: Crystal Structures of the Elusive Phases R and S of NaNbO3","Inorganic Chemistry","2012","51","","6876","6889","10.1021/ic3006585","powder diffraction","","","","","","","","","","","","","1.33","","","","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329528","7.85684","0.00004","7.86748","0.00007","15.72795","0.00013","90","","90","","90","","972.2","0.013","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Na Nb O3 -","- Na Nb O3 -","- Na16 Nb16 O48 -","16","2","","Martin D. Peel; Stephen P. Thompson; Aziz Daoud-Aladine; Sharon E. Ashbrook; Philip Lightfoot","New Twists on the Perovskite Theme: Crystal Structures of the Elusive Phases R and S of NaNbO3","Inorganic Chemistry","2012","51","","6876","6889","10.1021/ic3006585","powder diffraction","","","","","","","","","","","","","1.34","","","","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329932","4.02033","0.00007","4.00791","0.00007","8.00483","0.00015","90","","90","","90","","128.983","0.004","12","","12","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","Dysprosium Ruthenium Arsenide Oxide","","","- As Dy O Ru -","- As Dy O Ru -","- As2 Dy2 O2 Ru2 -","2","0.25","","Michael A. McGuire; Andrew F. May; Brian C. Sales","Crystallographic and Magnetic Phase Transitions in the Layered Ruthenium Oxyarsenides TbRuAsO and DyRuAsO","Inorganic Chemistry","2012","51","","8502","8508","10.1021/ic3010695","powder diffraction","","1.5406","CuKα1","","","","","","","","","3.8437","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330126","11.366","0.002","11.833","0.003","9.4828","0.0013","90","","90","","90","","1275.4","0.4","100","2","100","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C20 H43 Mn N4 P Si -","- C20 H43 Mn N4 P Si -","- C40 H86 Mn2 N8 P2 Si2 -","2","0.25","","Daniel N. Woodruff; Eric J. L. McInnes; Daniel O. Sells; Richard E. P. Winpenny; Richard A. Layfield","Synthesis, Structure, and Paramagnetism of Manganese(II) Iminophosphate Complexes","Inorganic Chemistry","2012","51","","9104","9109","10.1021/ic3014046","","","0.71073","MoKα","","0.0928","0.064","","","0.1561","0.1776","","","","","","1.054","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4330261","25.65","0.03","26.98","0.03","10.28","0.012","90","","90","","90","","7114","14","100","","100","","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C1.15 Cr0.69 N0.38 O4 U0.5 -","- C1.15385 Cr0.692308 N0.384615 O4 U0.5 -","- C60 Cr36 N20 O208 U26 -","52","6.5","","Oleg I. Siidra; Evgeny V. Nazarchuk; Anatoly A. Petrunin; Roman A. Kayukov; Sergey V. Krivovichev","Nanoscale Hemispheres in Novel Mixed-Valent Uranyl Chromate(V,VI), (C3NH10)10[(UO2)13(Cr125+O42)(Cr6+O4)6(H2O)6](H2O)6","Inorganic Chemistry","2012","51","","9162","9164","10.1021/ic301288r","","","0.71073","MoKα","","0.1494","0.0815","","","0.2198","0.2555","","","","","","0.965","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333609","6.9321","0.0005","26.935","0.0019","10.9137","0.0008","90","","90","","90","","2037.8","0.3","100","2","100","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","Cesium Uranium(IV) Phosphate-Phosphite","","","- Cs4 H0 O39 P10 U6 -","- Cs4.04 O39.02 P10 U6 -","- Cs8.08 O78.04 P20 U12 -","2","0.25","","Eric M. Villa; Connor J. Marr; Juan Diwu; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","From Order to Disorder and Back Again: In Situ Hydrothermal Redox Reactions of Uranium Phosphites and Phosphates","Inorganic Chemistry","2013","52","","965","973","10.1021/ic302198w","","","0.71073","MoKα","","0.041","0.0377","","","0.0978","0.1003","","","","","","1.089","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4335583","10.7334","0.0011","11.8312","0.0011","5.5037","0.0006","90","","90","","90","","698.91","0.12","296","2","296","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","Pentaoxo-difluorido[1,3-bis(1,2,4-triazol-4-yl)propane] dimolybdenum(VI)","","- C7 H10 F2 Mo2 N6 O5 -","- C7 H10 F2 Mo2 N6 O5 -","- C14 H20 F4 Mo4 N12 O10 -","2","0.25","","Olena V. Sharga; Andrey B. Lysenko; Marcel Handke; Harald Krautscheid; Eduard B. Rusanov; Alexander N. Chernega; Karl W. Krämer; Shi-Xia Liu; Silvio Decurtins; Adam Bridgeman; Konstantin V. Domasevitch","Unprecedented Trapping of Difluorooctamolybdate Anions within an α-Polonium Type Coordination Network","Inorganic Chemistry","2013","52","","8784","8794","10.1021/ic400954x","","","0.71073","MoKα","","0.039","0.0297","","","0.0548","0.0576","","","","","","1.03","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4340928","13.754","0.018","22.76","0.03","12.175","0.015","90","","90","","90","","3811","8","223","2","223","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C9 H10 Cr0.75 N3 O4 -","- C9 H10.5 Cr0.75 N3 O4 -","- C72 H84 Cr6 N24 O32 -","8","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","","0.1679","0.1065","","","0.2725","0.297","","","","","","1.243","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4343351","14.8235","0.0006","12.0677","0.0008","9.3272","0.0007","90","","90","","90","","1668.5","0.18","123","2","123","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C26 H40 Au2 Br2 N8 -","- C26 H40 Au2 Br2 N8 -","- C52 H80 Au4 Br4 N16 -","2","0.25","","Kobialka, Stefanie; Müller-Tautges, Christina; Schmidt, Melanie T. S.; Schnakenburg, Gregor; Hollóczki, Oldamur; Kirchner, Barbara; Engeser, Marianne","Stretch Out or Fold Back? Conformations of Dinuclear Gold(I) N-Heterocyclic Carbene Macrocycles.","Inorganic chemistry","2015","54","13","6100","6111","10.1021/ic502751s","","","0.71073","MoKα","","0.0405","0.0311","","","0.0753","0.078","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343795","29.688","","23.327","","12.794","","90","","90","","90","","8860.25","","","","","","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","(N H4)23 (N H4 As4 W40 O140 Co2 (H2 O)2) (H2 O)16","","- As4 Co2 H132 N24 O158 W40 -","- As4 Co2 N24 O158 W40 -","- As8 Co4 N48 O316 W80 -","2","0.25","","Robert, F.; Leyrie, M.; Jeannin, Y.P.; Herve, G.; Teze, A.","Crystal Structure of Ammonium Dicobalto(II)-40-tungstotetraarsenate(III). Allosteric Effects in the Ligand","Inorganic Chemistry","1980","19","","1746","1752","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4345872","7.416","0.001","9.592","0.002","5.689","0.001","90","","90","","90","","404.68","0.12","","","293","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- H4 O11 P2 V2 -","- H4 O11 P2 V2 -","- H8 O22 P4 V4 -","2","0.25","","Torardi, C. C.; Calabrese, J. C.","Ambient- and low-temperature crystal structure of vanadyl hydrogen phosphate (VO)2H4P2O9","Inorganic Chemistry","1984","23","","1308","1310","10.1021/ic00178a002","","x-ray","0.71069","MoKα","","","0.022","","","0.023","","","","","","","","","","","has coordinates","196789","2020-10-21","18:00:00",""
"4347727","19.507","0.002","26.831","0.003","16.223","0.002","90","","90","","90","","8491","1.7","296","2","296","2","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- C96 H112 Co3 Dy4 N38 O36 S10 -","- C96 H112 Co3 Dy4 N38 O36 S10 -","- C192 H224 Co6 Dy8 N76 O72 S20 -","2","0.25","","Wu, Jianfeng; Zhao, Lang; Zhang, Li; Li, Xiao-Lei; Guo, Mei; Tang, Jinkui","Metallosupramolecular Coordination Complexes: The Design of Heterometallic 3d-4f Gridlike Structures.","Inorganic chemistry","2016","55","11","5514","5519","10.1021/acs.inorgchem.6b00529","","","0.71073","MoKα","","0.1259","0.0957","","","0.2601","0.2871","","","","","","1.14","","","","has coordinates","232471","2020-10-21","18:00:00",""
"4347869","16.289","0.002","18.797","0.003","16.207","0.002","90","","90","","90","","4962.3","1.2","123","2","123","2","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- C36 F24 N14 O28 P4 Pt4 Ru4 -","- C36 F24 N14 O28 P4 Pt4 Ru4 -","- C72 F48 N28 O56 P8 Pt8 Ru8 -","2","0.25","","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","","0.0789","0.0697","","","0.2327","0.2476","","","","","","1.793","","","","has coordinates","232551","2020-10-21","18:00:00",""
"4501124","7.2844","0.0019","10.918","0.004","5.663","0.004","90","","90","","90","","450.4","0.4","296","2","296","2","1500000","","","","","","","5","P m m n :2","-P 2ab 2a","59","dabco dihydrobromide monohydrate, dabco2HBr*H2O","1,4-diazabicyclo[2.2.2]octane dihydrobromide monohydrate","","- C6 H16 Br2 N2 O -","- C6 H16 Br2 N2 O -","- C12 H32 Br4 N4 O2 -","2","0.25","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Humidity Control of Isostructural Dehydration and Pressure-Induced Polymorphism in 1,4-Diazabicyclo[2.2.2]octane Dihydrobromide Monohydrate","Crystal Growth & Design","2011","11","11","4892","","10.1021/cg200743n","","","0.71073","MoKα","","0.0608","0.0532","","","0.1308","0.1396","","","","","","1.175","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501523","15.097","0.003","32.092","0.006","14.403","0.003","90","","90","","90","","6978","2","293","2","293","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C80 H134 N40 Na6 O76 W12 -","- C80 H100 N40 Na6 O76 W12 -","- C160 H200 N80 Na12 O152 W24 -","2","0.25","","Lin, Jing-Xiang; Lü, Jian; Yang, Hong-Xun; Cao, Rong","Construction of Train-Like Supramolecular Structures from Decamethylcucurbit[5]uril and Iso- or Hetero-Keggin-Type Polyoxotungstates","Crystal Growth & Design","2010","10","4","1966","","10.1021/cg1000528","","","0.71073","MoKα","","0.0931","0.0885","","","0.2161","0.2233","","","","","","1.286","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501525","15.194","0.003","32.016","0.006","14.397","0.003","90","","90","","90","","7003","2","293","2","293","2","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- C80 H140 N40 Na4 O80 Si W12 -","- C80 H100 N40 Na4 O80 Si W12 -","- C160 H200 N80 Na8 O160 Si2 W24 -","2","0.25","","Lin, Jing-Xiang; Lü, Jian; Yang, Hong-Xun; Cao, Rong","Construction of Train-Like Supramolecular Structures from Decamethylcucurbit[5]uril and Iso- or Hetero-Keggin-Type Polyoxotungstates","Crystal Growth & Design","2010","10","4","1966","","10.1021/cg1000528","","","0.71073","MoKα","","0.0583","0.0541","","","0.1448","0.1479","","","","","","1.127","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4502191","16.8856","0.0007","7.5479","0.0011","8.9037","0.0004","90","","90","","90","","1134.78","0.18","293","2","293","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- H8 K3 O24 Te4 V5 -","- H8 K3 O24 Te4 V5 -","- H16 K6 O48 Te8 V10 -","2","0.25","","Huang, Xi-He; Huang, Chang-Cang; Liu, Dong-Sheng; Liu, Zhong-Qian; Wang, Yu-Bo","Synthesis and Characterization of New Open-Framework Vanadium Tellurite Featuring an Unprecedented (3,7)-Connected Network: K3[(VVO4)(VIVO)4(TeO3)4]·4H2O†","Crystal Growth & Design","2010","10","5","2021","","10.1021/cg900502y","","","0.71069","MoKα","","0.0364","0.028","","","0.0646","0.0665","","","","","","1","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4506982","9.6056","0.001","21.931","0.002","4.8504","0.0005","90","","90","","90","","1021.79","0.18","298","2","298","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- C7 H4 Cu3 N5 -","- C7 H4 Cu3 N5 -","- C28 H16 Cu12 N20 -","4","0.5","","Qin, Ying-Lian; Liu, Jiang; Hou, Juan-Juan; Yao, Ru-Xin; Zhang, Xian-Ming","Reconstruction of a (6,3) Brick Wall Sheet Giving an Unprecedented Shubnikov-type (5,34) Sheet in Luminescent Cuprous Cyanide Supramolecular Isomers of Pseudo-polyrotaxane","Crystal Growth & Design","2012","12","12","6068","","10.1021/cg301192y","","","0.71073","MoKα","","0.0344","0.0311","","","0.0826","0.0921","","","","","","1.23","","","","has coordinates","179605","2020-10-21","18:00:00",""
"5910355","14.53","","3.79","","6.29","","90","","90","","90","","346.382","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Ba O9 Ti4 -","- Ba4 O52 Ti32 -","- Ba4 O52 Ti32 -","","","","Wyckoff, R. W. G.","Page 479 & 480 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","","479","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"7008566","6.9503","0.0001","17.2147","0.0004","7.0867","0.0001","90","","90","","90","","847.9","0.03","150","","150","","","","","","","","?","7","P m m n :2","-P 2ab 2a","59","","","","- C6 H14 F2 N2 O12 S2 U2 -","- C6 H14 F2 N2 O12 S2 U2 -","- C12 H28 F4 N4 O24 S4 U4 -","2","0.25","","Doran, Michael B.; Cockbain, Ben E.; O'Hare, Dermot","Structural variation in organically templated uranium sulfate fluorides.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1774","1780","10.1039/b504457j","","","0.71073","MoKα","","0.0335","0.0229","","0.0658","0.0547","0.0547","","","","","","0.8449","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011306","7.9654","0.0015","6.4917","0.0015","6.9685","0.0012","90","","90","","90","","360.33","0.12","293","2","293","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- Cd Li2 S4 Sn -","- Cd Li2 S4 Sn -","- Cd2 Li4 S8 Sn2 -","2","0.25","","Devi, M. Suseela; Vidyasagar, K.","First examples of sulfides in the quaternary A/Cd/Sn/S (A = Li, Na) systems: molten flux synthesis and single crystal X-ray structures of Li2CdSnS4, Na2CdSnS4 and Na6CdSn4S12","Journal of the Chemical Society, Dalton Transactions","2002","","9","2092","","10.1039/b110254k","","","0.7073","MoK/a","","0.0525","0.0495","","0.1476","0.1449","","","","1.302","1.348","1.348","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019792","21.224","0.0008","29.9068","0.0011","8.7428","0.0004","90","","90","","90","","5549.4","0.4","296","2","296","2","","","","","","","","9","P m m n :2","-P 2ab 2a","59","","","","- C16 H104 K3 Mo8 N4 O66 P8 Rb5 S8 -","- C16 H36 K3 Mo8 N4 O59 P8 Rb4.5 S8 -","- C32 H72 K6 Mo16 N8 O118 P16 Rb9 S16 -","2","0.25","","El Moll, Hani; Kemmegne-Mbouguen, Justin Claude; Haouas, Mohamed; Taulelle, Francis; Marrot, Jérôme; Cadot, Emmanuel; Mialane, Pierre; Floquet, Sébastien; Dolbecq, Anne","Syntheses, characterizations and properties of [Mo(2)O(2)S(2)]-based oxothiomolybdenum wheels incorporating bisphosphonate ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9955","9963","10.1039/c2dt30534h","","","0.71073","MoKα","","0.119","0.0959","","","0.2488","0.2713","","","","","","1.068","","","","has coordinates,has disorder","179901","2020-10-21","18:00:00",""
"7022947","9.126","0.007","7.598","0.006","8.267","0.006","90","","90","","90","","573.2","0.8","298","2","298","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- C9 H19 Al N2 -","- C9 H19 Al N2 -","- C18 H38 Al2 N4 -","2","0.25","","Li, Di; Peng, Ying; Geng, Chao; Liu, Kaipeng; Kong, Dexu","Well-controlled ring-opening polymerization of cyclic esters initiated by dialkylaluminum β-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11295","11303","10.1039/c3dt50372k","","","0.71073","MoKα","","0.0387","0.036","","","0.0809","0.0818","","","","","","1","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7025216","21.393","0.004","25.702","0.005","14.846","0.003","90","","90","","90","","8163","3","150","2","150","2","","","","","","","","8","P m m n :2","-P 2ab 2a","59","","","","- C12 H96 K2 Na18 O165 P4 Sn4 W31 -","- C12 H16 K2 Na18 O150 P4 Sn4 W31 -","- C24 H32 K4 Na36 O300 P8 Sn8 W62 -","2","0.25","","Zhang, Lan-Cui; Zheng, Shu-Li; Xue, Han; Zhu, Zai-Ming; You, Wan-Sheng; Li, Yang-Guang; Wang, Enbo","New tetra(organotin)-decorated boat-like polyoxometalate.","Dalton transactions (Cambridge, England : 2003)","2010","39","14","3369","3371","10.1039/b925822a","","","0.71073","MoKα","","0.101","0.0575","","","0.1137","0.128","","","","","","1.011","","","","has coordinates,has disorder","179958","2020-10-21","18:00:00",""
"7025955","27.58","0.004","22.008","0.003","22.94","0.004","90","","90","","90","","13924","4","120","2","120","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","U36a","","","- I2 K16 Li4 O264 U36 -","- I2 K16 Li4 O264 U36 -","- I4 K32 Li8 O528 U72 -","2","0.25","","Unruh, Daniel K.; Burtner, Alicia; Pressprich, Laura; Sigmon, Ginger E.; Burns, Peter C.","Uranyl peroxide closed clusters containing topological squares.","Dalton transactions (Cambridge, England : 2003)","2010","39","25","5807","5813","10.1039/c0dt00074d","","","0.71073","MoKα","","0.0864","0.0462","","","0.1233","0.1344","","","","","","0.934","","","","has coordinates","179965","2020-10-21","18:00:00",""
"7051333","5.1016","0.0007","21.343","0.003","4.744","0.0005","90","","90","","90","","516.54","0.12","100","2","100","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- C4 H16 Cl3 N3 -","- C4 H16 Cl3 N3 -","- C8 H32 Cl6 N6 -","2","0.25","","","","New Journal of Chemistry","2000","","","","","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","180067","2020-10-21","18:00:00",""
"7055729","14.666","0.004","14.776","0.004","6.4741","0.0016","90","","90","","90","","1403","0.6","100","2","100","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","1,4-bisTMSselenophene","1,4-bisTMSselenophene","","- C10 H20 Se Si2 -","- C10 H22 Se Si2 -","- C40 H88 Se4 Si8 -","4","0.5","","Masuda, Toshiyuki; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Setaka, Wataru","Facile synthesis of 2,5-bis(silyl)selenophene-1,1-dioxide and its photophysical properties","New J. Chem.","2016","40","10","8593","","10.1039/C6NJ01886F","","","0.71073","MoKα","","0.027","0.0238","","","0.0587","0.06","","","","","","1.033","","","","has coordinates","187173","2020-10-21","18:00:00",""
"7109280","7.507","","11.918","","4.688","","90","","90","","90","","419.428","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Tl2 Au4 S3","","- Au4 S3 Tl2 -","- Au4 S3 Tl2 -","- Au8 S6 Tl4 -","2","0.25","","Loeken, S.; Felser, C.; Tremel, W.","Tl2 Au4 S3: x=4/3 member of the series A(2-x) Au(x) Q. Preparation and analysis of its gold-gold bonding","Journal of the Chemical Society. Chemical Communications (1972-)","1998","1998","","1603","1603","","","","","","","","","","","","","","","","","","","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7110752","24.012","0.003","24.615","0.002","16.059","0.0012","90","","90","","90","","9491.8","1.6","199","2","199","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","Ga22hypergermyl)8","","- C72 H216 Ga22 Ge8.25 Si24 -","- C72 H160 Ga22 Ge8.25 Si24 -","- C144 H320 Ga44 Ge16.5 Si48 -","2","0.25","","Linti, Gerald; Rodig, Alexander","Facile synthesis and crystal structure of a Ga22R8 cluster","Chemical Communications","2000","","2","127","","10.1039/a907039g","","","0.71073","MoKα","","0.1801","0.0878","","","0.1989","0.2444","","","","","","1.112","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7110922","7.0595","0.0021","7.4252","0.002","9.3827","0.0022","90","","90","","90","","491.8","0.2","293","2","293","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","dichloroethylendithiolone","5,6-Dichloro-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2one","","- C5 H2 Cl2 O S4 -","- C5 Cl2 O S4 -","- C10 Cl4 O2 S8 -","2","0.25","","Dautel, Olivier J.; Larsen, Jan; Fourmigué, Marc","Electrophilic halogenation of thioethers: 5-chloro- and 5,6-dichloro-5,6-dihydro-1,3-dithiolo[4,5-b][1,4]dithiine-2-one and an efficient synthesis of vinylenedithiotetrathiafulvalene (VDT-TTF)","Chemical Communications","2000","","13","1117","","10.1039/b001996h","","","0.71073","MoKα","","0.0687","0.0357","","","0.0871","0.097","","","","","","0.816","","","","has coordinates","180223","2020-10-21","18:00:00",""
"7115911","12.8127","0.0002","29.8455","0.0005","6.6007","0.0001","90","","90","","90","","2524.12","0.07","293","2","293","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6 N12 Zn3 -","- C72 H48 I12 N24 Zn6 -","2","0.25","","Tatsuhiro Kojima; Wanuk Choi; Masaki Kawano","Single-crystal growth of coordination networks via the gas phase and dependence of iodine encapsulation on the crystal size","Chem.Commun.","2014","50","","13793","","10.1039/C4cc06342B","","","0.7","synchrotron","","0.0734","0.0683","","","0.2168","0.2232","","","","","","1.071","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7126928","8.4803","0.0003","12.4172","0.0009","9.5901","0.0006","90","","90","","90","","1009.85","0.1","333","2","333","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C12 H24 Co N10 Na O -","- C12 H24 Co N10 Na O -","- C24 H48 Co2 N20 Na2 O2 -","2","0.25","","Xu, Wei-Jian; Zeng, Ying; Yuan, Wei; Zhang, Wei-Xiong; Chen, Xiao-Ming","A large room-temperature entropy change in a new hybrid ferroelastic with an unconventional bond-switching mechanism.","Chemical communications (Cambridge, England)","2020","56","69","10054","10057","10.1039/d0cc04092d","","","0.71073","MoKα","","0.0627","0.0494","","","0.1268","0.1346","","","","","","1.027","","","","has coordinates,has disorder","255958","2020-10-21","18:00:00",""
"7202035","18.2439","0.0002","14.5934","0.0002","8.428","0.0001","90","","90","","90","","2243.88","0.05","173","","173","","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- C40 H27 Ag2 F6 N19 O6 S2 -","- C40 H27 Ag2 F6 N19 O6 S2 -","- C80 H54 Ag4 F12 N38 O12 S4 -","2","0.25","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Reymann, Sébastien; Schaffner, Silvia","A new twist to 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine complexes of silver(i)","CrystEngComm","2008","10","8","991","","10.1039/b803006e","","","0.71073","MoKα","","0.0996","0.0632","","0.101","0.0719","0.0719","","","","","","1.0738","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7204041","6.39","0.0003","9.694","0.0004","7.287","0.0003","90","","90","","90","","451.39","0.03","293","2","293","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- Bi Br Cu3 O8 Se2 -","- Bi Br Cu3 O8 Se2 -","- Bi2 Br2 Cu6 O16 Se4 -","2","0.25","","Millet, P.; Bastide, B.; Pashchenko, V.; Gnatchenko, S.; Gapon, V.; Ksari, Y.; Stepanov, A.","Syntheses, crystal structures and magnetic properties of francisite compounds Cu3Bi(SeO3)2O2X (X = Cl, Br and I)","Journal of Materials Chemistry","2001","11","4","1152","","10.1039/b007920k","","","0.5623","","","0.0358","0.0313","","0.082","0.0791","","","","1.083","1.07","1.07","","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7207183","13.5107","0.0016","23.38","0.003","5.8727","0.0007","90","","90","","90","","1855.1","0.4","293","2","293","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C28 H24 K2 O16 Pb S2 -","- C28 H20 K2 O16 Pb S2 -","- C56 H40 K4 O32 Pb2 S4 -","2","0.25","","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","","0.0684","0.0599","","","0.1968","0.2034","","","","","","1.093","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7209977","7.2366","0.0003","8.4314","0.0003","7.2292","0.0003","90","","90","","90","","441.09","0.03","295","2","295","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- C3 H3 I3 N2 -","- C3 H3 I3 N2 -","- C6 H6 I6 N4 -","2","0.25","","Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech","Synthesis, crystal structure and phase transitions of a series of imidazolium iodides","CrystEngComm","2013","15","28","5633","","10.1039/c3ce40559a","","","0.71073","MoKα","","0.0276","0.023","","","0.0492","0.0514","","","","","","1.056","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7212652","22.988","0.011","25.016","0.012","13.119","0.005","90","","90","","90","","7544","6","200","","200","","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","[Cu2Cl(OX1)2](ClO4)-9/4(H2O)-3/4(CH3CN)","","- C31.5 H36.75 Cl2 Cu2 N6.75 O12.25 -","- C31.5 H32.25 Cl2 Cu2 N6.75 O12.25 -","- C252 H258 Cl16 Cu16 N54 O98 -","8","1","","Huang, Yong-Qing; Shen, Zhong-Liang; Zhou, Xia-Ying; Okamura, Taka-aki; Su, Zhi; Fan, Jian; Sun, Wei-Yin; Yu, Jin-Quan; Ueyama, Norikazu","Metal‒organic frameworks with oxazoline-containing tripodal ligand: structure changes via reaction medium and metal-to-ligand ratio","CrystEngComm","2010","12","12","4328","","10.1039/c002874f","","","0.71075","MoKα","","0.2272","0.1452","","","0.3738","0.4192","","","","","","1.299","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214330","10.4811","0.0004","14.5008","0.0005","21.9334","0.0008","90","","90","","90","","3333.5","0.2","100","2","100","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C36 H84 Cl4 Mg2 N24 O36 -","- C36 H36 Cl4 Mg2 N24 O35.6636 -","- C72 H72 Cl8 Mg4 N48 O71.3272 -","2","0.25","","Danylyuk, Oksana; Fedin, Vladimir P.","Unexpected crystallization of the metastable tubular coordination polymer of cucurbit[6]uril with magnesium ions which spontaneously transforms into a discrete coordination complex","CrystEngComm","2014","16","18","3699","","10.1039/c3ce42287a","","","1.5418","CuKα","","0.1037","0.0878","","","0.2471","0.2644","","","","","","1.03","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7219453","17.916","0.013","11.364","0.008","14.414","0.011","90","","90","","90","","2935","4","293","2","293","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","wcz1","","","- C47 H74 N20 O25 -","- C47 H51 N20 O14 -","- C94 H102 N40 O28 -","2","0.25","","Tao, Zhu; Wang, Chuan-Zeng; Zhao, Wen-Xuan; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang","A supramolecular assembly of methyl-substituted cucurbit[5]uril and its potential applications in selective absorption","RSC Adv.","2015","","","","","10.1039/C4RA16602G","","","0.71073","MoKα","","0.16","0.1102","","","0.3452","0.3736","","","","","","1.222","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7220280","5.7534","0.0003","9.4518","0.0005","11.2735","0.0009","90","","90","","90","","613.05","0.07","293","2","293","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- B N O10 Pb6 -","- B N O10 Pb6 -","- B2 N2 O20 Pb12 -","2","0.25","","Song, Jun-Ling; Xu, Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","A facile strategy to adjust the density of planar triangle units in lead borate‒nitrates","CrystEngComm","2015","17","21","3953","","10.1039/C5CE00509D","","","0.71073","MoKα","","0.0511","0.0409","","","0.0778","0.0817","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222416","11.5439","","3.5714","","4.3362","","90","","90","","90","","178.772","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","(V0.94 Mo0.06)2 O5","","- Mo0.12 O5 V1.88 -","- Mo0.12 O5 V1.88 -","- Mo0.24 O10 V3.76 -","2","0.25","","Haas, F.; Fuess, H.; Adams, A.H.; Schimanke, G.; Martin, M.; Buhrmester, T.","X-ray absorption and X-ray diffraction studies on molybdenum doped vanadium pentoxide","Physical Chemistry Chemical Physics","2003","5","","4317","4324","","","","","","","","","","","","","","","","","","","","","","has coordinates","159898","2020-10-21","18:00:00",""
"7222699","25.259","","8.4691","","7.8172","","90","","90","","90","","1672.26","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Na5 Eu7 Cl22","","- Cl22 Eu7 Na5 -","- Cl22 Eu7.076 Na4.924 -","- Cl44 Eu14.152 Na9.848 -","2","0.25","","Wickleder, C.","A new mixed valent europium chloride: Na5 Eu7 Cl22","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","901","907","","","","","","","","","","","","","","","","","","","","","","has coordinates","164329","2020-10-21","18:00:00",""
"7228884","10.2796","0.0007","36.643","0.003","10.8918","0.0008","90","","90","","90","","4102.7","0.5","293","","293","","","","","","","","From Chonnam National University","4","P m m n :2","-P 2ab 2a","59","PST-5","aluminophosphate","","- C26.72 N6.68 O77.45 Si36 -","- C26.72 N6.68 O77.4458 Si36 -","- C53.44 N13.36 O154.892 Si72 -","2","0.25","","Chang, Shuai; Jang, Hoi-Gu; Lee, Kwan-Young; Cho, Sung June","Three-dimensional crystal structure of novel aluminophosphate PST-5 solved using a powder charge flipping method","RSC Adv.","2017","7","61","38631","","10.1039/C7RA05100J","powder diffraction","x-ray","1.4862","synchrotron","","0.0981","0.0981","","0.134","0.134","","","","5.12","","","","","","","has coordinates","199665","2020-10-21","18:00:00",""
"7231070","23.184","0.002","29.532","0.003","14.5168","0.0013","90","","90","","90","","9939.2","1.6","100","","100","","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C3.5 As4 Na13 O226 U4 W40 -","- C3.5 As4 Na13 O226 U4 W40 -","- C7 As8 Na26 O452 U8 W80 -","2","0.25","","DUFAYE, Maxime; Duval, Sylvain; Hirsou, Bastien; Stoclet, Grégory; Loiseau, Thierry","Complexation of tetravalent uranium cations by the As4W40O140 cryptand","CrystEngComm","2018","","","","","10.1039/C8CE00873F","","x-ray","0.56086","AgKα","","0.0524","0.0408","","","0.1149","0.138","","","","","","1.049","","","","has coordinates,has disorder","290444","2024-03-12","09:55:31",""
"7238460","15.2943","0.0015","15.4858","0.0015","6.421","0.0006","90","","90","","90","","1520.8","0.3","215","2","215","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C10 H20 O2 S Si2 -","- C10 H20 O2 S Si2 -","- C40 H80 O8 S4 Si8 -","4","0.5","","Coombs, Benjamin A.; Rutter, Simon R.; Goeta, Andrés E.; Sparkes, Hazel A.; Batsanov, Andrei S.; Beeby, Andrew","2,5-bis(Arylethynyl)thienyl systems: Preparation and photophysical properties. Part II","RSC Advances","2012","2","5","1870","","10.1039/c1ra00728a","","","0.71073","MoKα","","0.0491","0.0336","","","0.0894","0.1033","","","","","","1.094","","","","has coordinates","244182","2020-10-21","18:00:00",""
"7241564","22.6298","0.0011","6.9472","0.0003","7.9192","0.0004","90","","90","","90","","1245.01","0.1","150","2","150","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","bis(1,2-diiodo-3,4,5,6-tetrafluorobenzene) (tetramethylammonium iodide) cocrystal","","","- C16 H12 F8 I5 N -","- C16 H14 F8 I5 N -","- C32 H28 F16 I10 N2 -","2","0.25","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0337","0.0238","","","0.0382","0.0402","","","","","","1.057","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7243108","8.3552","0.0009","8.5782","0.0011","6.6959","0.0007","90","","90","","90","","479.91","0.09","300","2","300","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","(2,,6-dimethylpyrazine)CuBr2","","- C6 H8 Br2 Cu N2 -","- C6 H8 Br2 Cu N2 -","- C12 H16 Br4 Cu2 N4 -","2","0.25","","Ding, Fei; Yang, Chuanlu; Gong, Xiangnan; Zheng, Hui; Zhou, Xiaoyu; Li, Lingli; Zhang, Lichun; Wang, Dehua; Pan, Bingying","Structure, phase transition and properties of the one-dimensional antiferromagnet Cu(2,6-dimethylpyrazine)Br2","RSC Advances","2021","11","37","22565","22570","10.1039/D1RA02318G","","","0.71073","MoKα","","0.0992","0.0395","","","0.0795","0.1028","","","","","","1.023","","","","has coordinates","266713","2021-06-26","05:04:04",""
"7702140","14.335","0.013","13.289","0.013","13.888","0.013","90","","90","","90","","2646","4","150","","150","","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C30 H56 Cr Dy3 N12 O10 -","- C30 H56 Cr Dy3 N12 O10 -","- C60 H112 Cr2 Dy6 N24 O20 -","2","0.25","","Escobedo-Cruz, Francisco V; Hughbanks, Timothy","New coordination networks containing trinuclear lanthanide complexes and hexacyanometallates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6831","6841","10.1039/c7dt02541f","","x-ray","0.71073","MoKα","","0.0365","0.0251","","","0.0533","0.058","","","","","","1.035","","","","has coordinates","235651","2020-10-21","18:00:00",""
"7702148","14.28","0.005","13.311","0.004","13.873","0.005","90","","90","","90","","2637","1.5","150","","150","","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C30 H56 Cr N12 O10 Tb3 -","- C30 H56 Cr N12 O10 Tb3 -","- C60 H112 Cr2 N24 O20 Tb6 -","2","0.25","","Escobedo-Cruz, Francisco V; Hughbanks, Timothy","New coordination networks containing trinuclear lanthanide complexes and hexacyanometallates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6831","6841","10.1039/c7dt02541f","","x-ray","0.71073","MoKα","","0.0193","0.018","","","0.0477","0.0488","","","","","","1.062","","","","has coordinates","235651","2020-10-21","18:00:00",""
"7702149","14.419","0.006","13.366","0.006","13.772","0.006","90","","90","","90","","2654","2","150","","150","","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C30 H56 Cr Gd3 N12 O10 -","- C30 H56 Cr Gd3 N12 O10 -","- C60 H112 Cr2 Gd6 N24 O20 -","2","0.25","","Escobedo-Cruz, Francisco V; Hughbanks, Timothy","New coordination networks containing trinuclear lanthanide complexes and hexacyanometallates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6831","6841","10.1039/c7dt02541f","","x-ray","0.71073","MoKα","","0.0186","0.0167","","","0.0417","0.0426","","","","","","1.05","","","","has coordinates","235651","2020-10-21","18:00:00",""
"7704649","5.78","0.012","9.72","0.02","10.63","0.02","90","","90","","90","","597","2","293","2","293","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- B I O7 Pb6 -","- B I O7 Pb6 -","- B2 I2 O14 Pb12 -","2","0.25","","Li, Kuan; Yalikun, Alimujiang; Su, Zhi","[O<sub>2</sub>Pb<sub>3</sub>]<sub>2</sub>(BO<sub>3</sub>)I: a new lead borate iodide with [O<sub>2</sub>Pb<sub>3</sub>] double chains.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8985","8990","10.1039/d0dt01722a","","","0.71073","MoKα","","0.0895","0.0565","","","0.1192","0.1322","","","","","","0.973","","","","has coordinates","254986","2020-10-21","18:00:00",""
"7706108","8.4133","0.0014","7.1479","0.0011","7.505","0.0011","90","","90","","90","","451.33","0.12","130","2","130","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C5 H10 I N2 P -","- C5 H10 I N2 P -","- C10 H20 I2 N4 P2 -","2","0.25","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.0735","0.0639","","","0.1431","0.148","","","","","","1.288","","","","has coordinates,has disorder","259993","2020-12-19","03:23:27",""
"7709454","5.7481","0.0005","9.4582","0.0009","11.277","0.0012","90","","90","","90","","613.09","0.1","273","2","273.15","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- B N O10 Pb6 -","- B N O10 Pb6 -","- B2 N2 O20 Pb12 -","2","0.25","","Bai, Shuo; Yang, Daqing; Zhang, Bingbing; Li, Ling; Wang, Ying","Two Lead Borate-nitrates with Anion-Centered [OPb4] Tetrahedra and Two Types of π-Conjugated Planar Units Showing Large Birefringence","Dalton Transactions","2022","","","","","10.1039/D2DT00183G","","","0.71073","MoKα","","0.0412","0.0327","","","0.0869","0.0918","","","","","","1.048","","","","has coordinates","272904","2022-02-10","23:47:29",""
"7712438","17.067","0.004","20.438","0.005","16.797","0.004","90","","90","","90","","5859","2","100","2","100","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C90 H150 N6 Ni3.11 O22 Pt15.89 -","- C90 H150 N6 Ni3.224 O22 Pt15.776 -","- C180 H300 N12 Ni6.448 O44 Pt31.552 -","2","0.25","","Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.","Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","15","4835","4848","10.1039/d2dt03237f","","","0.71073","MoKα","","0.1777","0.1507","","","0.3959","0.4267","","","","","","1.128","","","","has coordinates","283328","2023-05-05","02:30:46",""
"8100896","4.413","0.001","13.887","0.002","8.83","0.001","90","","90","","90","","541.1","0.2","293","2","293","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Cu2 Sn5 Yb4 -","- Cu2 Sn5 Yb4 -","- Cu4 Sn10 Yb8 -","2","0.25","","Fornasini, Maria L.; Zanicchi, Gilda; Mazzone, Donata; Riani, Paola","Crystal structure of ytterbium copper stannide, Yb~4~Cu~2~Sn~5~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","21","22","","","","","","","","0.0322","","","0.0625","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101063","22.275","0.006","36.758","0.009","11.059","0.002","90","","90","","90","","9055","4","293","2","293","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C16 H112 Mo28 N20 Na4 O104 -","- C16 Mo28 N20 Na4 O104 -","- C32 Mo56 N40 Na8 O208 -","2","0.25","","Turpeinen, Urho; Mutikainen, Ilpo; Klinga, Martti; Hämäläinen, Reijo","Crystal structure of hexadecaammomium tetra[dimethyl(2-hydroxyethyl) ammonium] cyclo-tetrakis[sodium-μ-heptamolybdato(VI)-O',O'', O''':O'''',O''''',O''''''](5-) tetrawater, (NH~4~)~16~(C~4~H~12~NO) ~4~[NaMo~7~O~24~]~4~ · 4H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","515","516","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101457","24.744","0.005","3.913","0.001","8.974","0.002","90","","90","","90","","868.9","0.3","293","2","293","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Cs In7 S9 -","- Cs0.958 In7.001 S9.08 -","- Cs1.916 In14.002 S18.16 -","2","0.25","","Reiner, Christof; Deiseroth, Hans Jörg","Crystal structure of cesium heptaindium nonasulfide, CsIn~7~S~9~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","1","13","13","","","","","","","","0.019","","","0.0393","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103789","12.9398","","11.3725","","5.0385","","90","","90","","90","","741.455","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","In2 H2 (P2 O7) (P4 O12)","","- H2 In2 O19 P6 -","- In2 O19 P6 -","- In4 O38 P12 -","2","0.25","","Ivashkevich, L.S.; Lesnikovich, A.I.; Lyakhov, A.S.; Selevich, A.F.","Ab initio structure determination of In2 H2 (P2 O7) (P4 O12) from X-ray powder diffraction data","Zeitschrift fuer Kristallographie (149,1979-)","2003","218","","32","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","158542","2020-10-21","18:00:00",""
"8104255","13.95","","12.21","","7.15","","90","","90","","90","","1217.86","","","","","","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","Ba2 (Fe0.5 Ti0.5)2 (Si O3)4 (O H)2","","- Ba2 Fe H2 O14 Si4 Ti -","- Ba2 Fe O14 Si4 Ti -","- Ba8 Fe4 O56 Si16 Ti4 -","4","0.5","","Mazzi, F.; Gossi, G.","The crystal structure of taramellite Ba2 (Fe, Ti, Mg)2 H2 (O2 (Si4 O12))","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1965","121","","243","257","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104461","14.4567","","5.7019","","14.485","","90","","90","","90","","1194.01","","","","","","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","Cs3.31 K2.25 Rb1.44 Ga2 Sb5","","- Cs3.31 Ga2 K2.25 Rb1.44 Sb5 -","- Cs3.3004 Ga2 K2.2486 Rb1.451 Sb5 -","- Cs6.6008 Ga4 K4.4972 Rb2.902 Sb10 -","2","0.25","","Somer, M.; Peters, K.; von Schnering, H.G.","Crystal structure of cesium potassium rubidium 2,5-diantimonido-tristiba-2,5-digalla-cyclopentanate","Zeitschrift fuer Kristallographie (149,1979-)","1991","197","","249","250","","","","","","","","","","","","","","","","","","","","","","has coordinates","174062","2020-10-21","18:00:00",""
"8104505","10.501","","3.596","","9.342","","90","","90","","90","","352.769","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","La Co8 P5","","- Co8 La P5 -","- Co8 La P5 -","- Co16 La2 P10 -","2","0.25","","Meisen, U.; Jeitschko, W.","Preparation and structure of La Co8 P5","Zeitschrift fuer Kristallographie (149,1979-)","1984","167","","135","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9000759","12.15","","13.946","","7.129","","90","","90","","90","","1207.97","","","","","","","","","","","","Candoglia, Italy","7","P m m n :2","-P 2ab 2a","59","","","Taramellite","- B2 Ba4 Cl0.89 Fe3 O29 Si8 Ti -","- B2 Ba4 Cl0.89 Fe3 O29 Si8 Ti -","- B4 Ba8 Cl1.78 Fe6 O58 Si16 Ti2 -","2","0.25","","Mazzi, F.; Rossi, G.","The crystal structure of taramellite","American Mineralogist","1980","65","","123","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:39",""
"9000760","12.22","","13.952","","7.128","","90","","90","","90","","1215.28","","","","","","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","Titantaramellite","- B2 Ba4 Cl0.95 Fe O29 Si8 Ti3 -","- B2 Ba4 Cl0.95 Fe O29 Si8 Ti3 -","- B4 Ba8 Cl1.9 Fe2 O58 Si16 Ti6 -","2","0.25","","Mazzi, F.; Rossi, G.","The crystal structure of taramellite Locality: Rush Creek, Fresno County, California, USA","American Mineralogist","1980","65","","123","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:39",""
"9001309","6.354","","9.63","","7.22","","90","","90","","90","","441.785","","","","","","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","Francisite","- Bi Cl Cu3 O8 Se2 -","- Bi Cl Cu3 O8 Se2 -","- Bi2 Cl2 Cu6 O16 Se4 -","2","0.25","","Pring, A.; Gatehouse, B. M.; Birch, W. D.","Francisite, Cu3Bi(SeO3)2O2Cl, a new mineral from Iron Monarch, South Australia: Description and crystal structure","American Mineralogist","1990","75","","1421","1425","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9004534","3.7976","","3.7976","","13.569","","90","","90","","90","","195.689","","","","","","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","Kettnerite","- C Bi Ca F O4 -","- C Bi Ca F O4 -","- C2 Bi2 Ca2 F2 O8 -","2","0.25","","Grice, J. D.; Cooper, M. A.; Hawthorne, F. C.","Crystal-structure determination of twinned kettnerite","The Canadian Mineralogist","1999","37","","923","927","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9008069","4.105","","4.07","","6.31","","90","","90","","90","","105.423","","","","","","","","","","","","Skrikerum, Sweden","3","P m m n :2","-P 2ab 2a","59","","","Eucairite","- Ag Cu Se -","- Ag Cu Se -","- Ag2 Cu2 Se2 -","2","0.25","","Frueh, A. J.; Czamanske, G. K.; Knight, C.","The crystallography of eucairite, CuAgSe Sample: orthorhombic subcell","Zeitschrift fur Kristallographie","1957","108","","389","396","10.1524/zkri.1957.108.5-6.389","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008107","13.95","","12.21","","7.15","","90","","90","","90","","1217.86","","","","","","","","","","","","Fresno County, California, USA","5","P m m n :2","-P 2ab 2a","59","","","Taramellite","- Ba Fe0.5 O7 Si2 Ti0.5 -","- Ba Fe0.5 O7 Si2 Ti0.5 -","- Ba8 Fe4 O56 Si16 Ti4 -","8","1","","Mazzi, F.; Rossi, G.","The crystal structure of taramellite Ba2(Fe,Ti,Mg)2H2(O2(Si4O12))","Zeitschrift fur Kristallographie","1965","121","","243","257","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9010372","7.57887","","18.20098","","26.15387","","90","","90","","90","","3607.74","","","","","","","","","","","","Massif Central, France","8","P m m n :2","-P 2ab 2a","59","","","Direnzoite","- Al7.657 Ca1.12 H46 K3 Mg0.72 Na0.47 O78.37 Si22.343 -","- Al7.6566 Ca1.12 H36.74 K3 Mg0.72 Na0.47 O78.37 Si22.3434 -","- Al15.3132 Ca2.24 H73.48 K6 Mg1.44 Na0.94 O156.74 Si44.6868 -","2","0.25","","Galli, E.; Gualtieri, A. F.","Direnzoite, [NaK6MgCa2(Al13Si47O120)*36H2O], a new zeolite from Massif Central (France): Description and crystal structure Locality: Massif Central, France Note: changed O11(y) sign","American Mineralogist","2008","93","","95","102","10.2138/am.2008.2666","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45",""
"9011118","5.968","","4.7802","","5.1843","","90","","90","","90","","147.899","","","","","","","","","","","","Synthetic","2","P m m n :2","-P 2ab 2a","59","","","","- Ag3 Sn -","- Ag3 Sn -","- Ag6 Sn2 -","2","0.25","","Fairhurst, C. W.; Cohen, J. B.","The crystal structure of two compounds found in dental amalgam: Ag2Hg3 and Ag3Sn","Acta Crystallographica, Section B","1972","28","","371","378","10.1107/S0567740872002432","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011520","4.108","","12.308","","9.331","","90","","90","","90","","471.787","","","","","","","","","","","","Synthetic","5","P m m n :2","-P 2ab 2a","59","","","Buckhornite","- Au Bi Pb2 S3 Te2 -","- Au Bi0.99999 Pb2.00001 S3 Te2 -","- Au2 Bi1.99998 Pb4.00002 S6 Te4 -","2","0.25","","Effenberger, H.; Culetto, F. J.; Topa, D.; Paar, W. H.","The crystal structure of synthetic buckhornite, [Pb2BiS3][AuTe2]","Zeitschrift fur Kristallographie","2000","215","","10","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:44",""
"9012098","13.937","","12.122","","7.116","","90","","90","","90","","1202.21","","","","","","","","","","","","Mogurazawa mine, Kirya City, Gumma Prefecture, Japan","8","P m m n :2","-P 2ab 2a","59","","","Nagashimalite","- B2 Ba4 Cl H0.44 O29 Si8 Ti0.56 V3.44 -","- B2 Ba4 Cl H0.44 O29 Si8 Ti0.56 V3.44 -","- B4 Ba8 Cl2 H0.88 O58 Si16 Ti1.12 V6.88 -","2","0.25","","Matsubara, S.","The crystal structure of nagashimalite, Ba4(V(3+),Ti)4[(O,OH)2|Cl|Si8B2O27]","Mineralogical Journal","1980","10","","131","142","10.2465/minerj.10.131","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012221","11.544","","3.571","","4.383","","90","","90","","90","","180.683","","","","","","","","","","","","Synthetic","2","P m m n :2","-P 2ab 2a","59","","","Shcherbinaite","- O5 V2 -","- O5 V2 -","- O10 V4 -","2","0.25","","Shklover, V.; Haibach, T.; Ried, F.; Nesper, R.; Novak, P.","Crystal structure of the product of Mg2+ insertion into V2O5 single crystals Sample: IIb","Journal of Solid State Chemistry","1996","123","","317","323","10.1006/jssc.1996.0186","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012844","24.86","","7.07","","6.53","","90","","90","","90","","1147.71","","","","","","","","","","","","","8","P m m n :2","-P 2ab 2a","59","","","Delhayelite","- Al Ca2.5 Cl0.9 F2 K3.51 Na1.5 O19 Si7 -","- Al Ca2.5 Cl0.9 F2 K3.51 Na1.5 O19 Si7 -","- Al2 Ca5 Cl1.8 F4 K7.02 Na3 O38 Si14 -","2","0.25","","Cannillo, E.; Rossi, G.; Ungaretti, L.","The crystal structure of delhayelite","Rendiconti della Societa Italiana di Mineralogia e Petrologia","1970","26","","63","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013781","8.599","","5.9381","","6.3173","","90","","90","","90","","322.572","","","","","","","","","","","","Synthetic","3","P m m n :2","-P 2ab 2a","59","","","Pasavaite","- Pb2 Pd3 Te2 -","- Pb4 Pd6 Te4 -","- Pb4 Pd6 Te4 -","","","","Vymazalova, A.; Laufek, F.; Drabek, M.; Haloda, J.; Sidorinova, T.","Pasavaite, Pd3Pb2Te2, a new platinum-group mineral species from the Noril'sk-Talnakh Ni-Cu Camp, Russia","The Canadian Mineralogist","2009","47","","53","62","10.3749/canmin.47.1.53","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:10",""
"9014713","12.759","","27.169","","11.515","","90","","90","","90","","3991.67","","","","","","","","","","","","Kombat mine, Grootfontein, Namibia","6","P m m n :2","-P 2ab 2a","59","","","Vladkrivovichevite","- B8 Cl14 H4 Mn2 O45 Pb36 -","- B8 Cl14 H4 Mn2 O45 Pb36 -","- B16 Cl28 H8 Mn4 O90 Pb72 -","2","0.25","","Siidra, O. I.; Krivovichev, S. V.; Turner, R. W.; Rumsey, M. S.; Spratt, J.","Crystal chemistry of layered Pb oxychloride minerals with PbO-related structures: Part II. Crystal structure of vladkrivovichevite, [Pb32O18][Pb4Mn2O]Cl14(BO3)8*2H2O","American Mineralogist","2013","98","","256","261","10.2138/am.2013.4244","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015698","27.638","","10.799","","5.123","","90","","90","","90","","1529.03","","","","","","","","","","","","Synthetic","5","P m m n :2","-P 2ab 2a","59","","","","- Al6.5 Ca5 Mg0.75 O17 Si0.75 -","- Al26 Ca20 Mg3 O68 Si3 -","- Al26 Ca20 Mg3 O68 Si3 -","","","","Hanic, F.; Handlovic, M.; Kapralik, I.","The structure of a quaternary phase Ca20Al32-2vMgvSivO68","Acta Crystallographica, Section B","1980","36","","2863","2869","10.1107/S0567740880010436","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016621","7.6256","","11.6081","","6.8961","","90","","90","","90","","610.434","","","","","","","","","","","","Mammoth-St. Anthony mine, Tiger, Pinal County, Arizona, USA","6","P m m n :2","-P 2ab 2a","59","","","Georgerobinsonite","- Cl Cr2 F H2 O10 Pb4 -","- Cl2 Cr4 F2 H4 O20 Pb8 -","- Cl2 Cr4 F2 H4 O20 Pb8 -","","","","Cooper, M. A.; Ball, N. A.; Hawthorne, F. C.; Paar, W. H.; Roberts, A. C.; Moffatt, E.","Georgerobinsonite, Pb4(CrO4)2(OH)2FCl, a new chromate mineral from the Mammoth-St. Anthony mine, Tiger, Pinal County, Arizona: description and crystal structure","The Canadian Mineralogist","2011","49","","865","876","10.3749/canmin.49.3.865","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017223","7.0618","","38.42","","6.5734","","90","","90","","90","","1783.46","","","","","","","","","","","","Pian di Celle volcano, Umbria, Italy","10","P m m n :2","-P 2ab 2a","59","","","Umbrianite","- Al3.1 Ca2.5 Cl1.9 F2.1 Fe0.3 K6.5 Mg0.1 Na1.6 O29 Si9.6 -","- Al6.2 Ca5 Cl3.8 F4.2 Fe0.6 K13 Mg0.2 Na3.2 O58 Si19.2 -","- Al6.2 Ca5 Cl3.8 F4.2 Fe0.6 K13 Mg0.2 Na3.2 O58 Si19.2 -","","","","Sharygin, V. V.; Pekov, I. V.; Zubkova, N. V.; Khomyakov, A. P.; Stoppa, F.; Pushcharovsky, D. Y.","Umbrianite, K7Na2Ca2[Al3Si10O29]F2Cl2, a new mineral species from melilitolite of the Pian di Celle volcano, Umbria, Italy","European Journal of Mineralogy","2013","25","","655","669","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:49",""
"9017728","17.882","","18.303","","10.2249","","90","","90","","90","","3346.55","","","","","","","","","","","","Markey mine, Utah, USA","6","P m m n :2","-P 2ab 2a","59","","","Natromarkeyite","- C13 H42 Ca8 Na2 O74.148 U4 -","- C13 H42 Ca8 Na2 O74.148 U4 -","- C26 H84 Ca16 Na4 O148.296 U8 -","2","0.25","","Kampf, A. R.; Olds, T. A.; Plasil, J.; Burns, P. C.; Marty, J.","Natromarkeyite and pseudomarkeyite, two new calcium uranyl carbonate minerals from the Markey mine, San Juan County, Utah, USA","Mineralogical Magazine","2020","84","","753","765","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""