# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2024-05-17T11:33:09+02:00 # Query: # SELECT data.* # FROM # data # WHERE # (status is null or status != 'retracted') and # (sg LIKE 'P -6' 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 "1007062","6.77","0.003","6.77","0.003","6.079","0.003","90","","90","","120","","241.3","","","","","","","","","","","","","4","P -6","P -6","174","","Cerium cyclo-triphosphate trihydrate","","- Ce H6 O12 P3 -","- Ce H6 O12 P3 -","- Ce H6 O12 P3 -","1","0.166667","","Bagieu-Beucher, M; Tordjman, I; Durif, A","Structure cristalline du trimetaphosphate de cerium(III) trihydrate: Ce P~3~ O~9~ (H~2~ O)~3~","Revue de Chimie Minerale","1971","8","","753","760","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1008318","10.737","","10.737","","4.179","","90","","90","","120","","417.2","","","","","","","","","","","","","3","P -6","P -6","174","","Gadolinium sulfide iodide","","- Gd I S -","- Gd I S -","- Gd3 I3 S3 -","3","0.5","","Beck, H P; Strobel, C","Zur Hochdruckpolymorphie der Seltenerdsulfidiodide Ln S I","Zeitschrift fuer Anorganische und Allgemeine Chemie","1986","535","","229","239","10.1002/zaac.19865350427","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1010319","4.13","","4.13","","6.69","","90","","90","","120","","98.8","","","","","","","","","","","","","2","P -6","P -6","174","","Germanium(II) iodide","","- Ge I2 -","- Ge I2 -","- Ge I2 -","1","0.166667","","Powell, H M; Brewer, F M","The Structure of Germanous Iodide","Journal of the Chemical Society","1938","1938","","197","198","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1010510","3.058","","3.058","","4.961","","90","","90","","120","","40.2","","","","","","","","","","","","","2","P -6","P -6","174","","Niobium nitride (2/1)","","- N Nb2 -","- N Nb2 -","- N Nb2 -","1","0.166667","","Brauer, G.","Zur Frage der niederen Oxyde von Niob und über ein Niob-Subnitrid","Zeitschrift für Elektrochemie und angewandte physikalische Chemie","1940","46","7","397","402","10.1002/bbpc.19400460704","","","","","","","","","","","","","","","","","","","","","has coordinates","174979","2020-10-21","18:00:00","" "1010602","2.51","","2.51","","6.69","","90","","90","","120","","36.5","","","","","","","","","","","","","2","P -6","P -6","174","","Boron nitride","","- B N -","- B N -","- B2 N2 -","2","0.333333","","Brager, A","An X-Ray Examination of the Structure of Boron Nitride","Acta Physicochimica (USSR)","1937","7","","699","706","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1509756","11.418","","11.418","","9.22","","90","","90","","120","","1040.98","","","","","","","","","","","","","3","P -6","P -6","174","","Tl4 Ag22 Te14.88","","- Ag22 Te14.88 Tl4 -","- Ag22.0002 Te14.88 Tl4 -","- Ag22.0002 Te14.88 Tl4 -","1","0.166667","","le Roy, J.; Brun, G.; Moreau, J.M.; Liautard, B.","A new phase in the Tl-Ag-Te system: crystal structure of Tl4Ag24-xTe15-y","Journal of Alloys Compd.","1992","186","","249","254","10.1016/0925-8388(92)90011-W","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1511019","8.324","","8.324","","3.2638","","90","","90","","120","","195.848","","","","","","","","","","","","","4","P -6","P -6","174","","Li Cd (B O3)","","- B Cd Li O3 -","- B Cd Li O3 -","- B3 Cd3 Li3 O9 -","3","0.5","","Sokolova, E.V.; Belov, N.V.; Simonov, M.A.","The refined crystal structure of hexagonal Li Cd B O3","Kristallografiya","1980","25","","1285","1286","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511217","8.172","","8.172","","3.1473","","90","","90","","120","","182.023","","","","","","","","","","","","","4","P -6","P -6","174","","Li Mn (B O3)","","- B Li Mn O3 -","- B Li Mn O3 -","- B3 Li3 Mn3 O9 -","3","0.5","","Legagneur, V.; Mosbah, A.; An, Y.; Piffard, Y.; Verbaere, A.; le Gal la Salle, A.; Guyomard, D.; Portal, R.","Li M B O3 (M = Mn, Fe, Co): synthesis, crystal structure and lithium deinsertion/insertion properties","Solid State Ionics","2001","139","","37","46","10.1016/S0167-2738(00)00813-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511448","12.2255","","12.2255","","5.446","","90","","90","","120","","704.923","","","","","","","","","","","","","6","P -6","P -6","174","","Ba4 Nd7 (Si12 N23 O) (B N3)","","- B Ba4 N26 Nd7 O Si12 -","- B Ba4 N25.9992 Nd7 O1.0008 Si12 -","- B Ba4 N25.9992 Nd7 O1.0008 Si12 -","1","0.166667","","Orth, M.; Schnick, W.; Hoffmann, R.D.; Poettgen, R.","Orthonitridoborate ions (B N3)(56-) in orthonitridosilicate cages: synthesis, crystal structure and magnetic properties of Ba4 Pr7 (Si12 N23 O) (B N3), Ba4 Nd7 (Si12 N23 O) (B N3) and Ba4 Sm7 (Si12 N23 O) (B N3)","Chemistry - A European Journal","2001","7","","2791","2797","10.1002/1521-3765(20010702)7:13<2791::AID-CHEM2791>3.0.CO;2-Q","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511449","12.2568","","12.2568","","5.4483","","90","","90","","120","","708.836","","","","","","","","","","","","","6","P -6","P -6","174","","Ba4 Pr7 (Si12 N23 O) (B N3)","","- B Ba4 N26 O Pr7 Si12 -","- B Ba4 N25.9992 O1.0008 Pr7 Si12 -","- B Ba4 N25.9992 O1.0008 Pr7 Si12 -","1","0.166667","","Orth, M.; Schnick, W.; Poettgen, R.; Hoffmann, R.D.","Orthonitridoborate ions (B N3)(56-) in orthonitridosilicate cages: synthesis, crystal structure and magnetic properties of Ba4 Pr7 (Si12 N23 O) (B N3), Ba4 Nd7 (Si12 N23 O) (B N3) and Ba4 Sm7 (Si12 N23 O) (B N3)","Chemistry - A European Journal","2001","7","","2791","2797","10.1002/1521-3765(20010702)7:13<2791::AID-CHEM2791>3.0.CO;2-Q","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511450","12.1597","","12.1597","","5.428","","90","","90","","120","","695.05","","","","","","","","","","","","","6","P -6","P -6","174","","Ba4 Sm7 (Si12 N23 O) (B N3)","","- B Ba4 N26 O Si12 Sm7 -","- B Ba4 N25.9992 O1.0008 Si12 Sm7 -","- B Ba4 N25.9992 O1.0008 Si12 Sm7 -","1","0.166667","","Orth, M.; Poettgen, R.; Schnick, W.; Hoffmann, R.D.","Orthonitridoborate ions (B N3)(56-) in orthonitridosilicate cages: synthesis, crystal structure and magnetic properties of Ba4 Pr7 (Si12 N23 O) (B N3), Ba4 Nd7 (Si12 N23 O) (B N3) and Ba4 Sm7 (Si12 N23 O) (B N3)","Chemistry - A European Journal","2001","7","","2791","2797","10.1002/1521-3765(20010702)7:13<2791::AID-CHEM2791>3.0.CO;2-Q","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1514083","6.305","","6.305","","7.71","","90","","90","","120","","265.433","","","","","","","","","","","","","2","P -6","P -6","174","","Dilithium Peroxide","","- Li2 O2 -","- Li2 O2 -","- Li16 O16 -","8","1.33333","","Feher, F.; von Wilucki, I.; Dost, G.","Ueber die Kristallstruktur des Lithiumperoxyds, Li2 O2","Chemische Berichte","1953","86","","1429","1437","10.1002/cber.19530861111","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00","" "1517672","5.9148","0.0001","5.9148","0.0001","3.496","0.0001","90","","90","","120","","105.921","0.004","","","","","","","","","","","","3","P -6","P -6","174","","Sodium Yttrium Fluoride (1.5/1.5/6)","","- F6 Na1.5 Y1.5 -","- F6 Na1.5 Y1.5 -","- F6 Na1.5 Y1.5 -","1","0.166667","","Grzechnik, A.; Bouvier, P.; Mezouar, M.; Mathews, M.D.; Tyagi, A.K.; Koehler, J.","Hexagonal Na(1.5) Y(1.5) F6 at high pressures","Journal of Solid State Chemistry","2002","165","","159","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1517673","5.6128","0.0001","5.6128","0.0001","3.3366","0.0002","90","","90","","120","","91.032","0.006","","","","","","","","","","","","3","P -6","P -6","174","","Sodium Yttrium Fluoride (1.5/1.5/6)","","- F6 Na1.5 Y1.5 -","- F6 Na1.5 Y1.5 -","- F6 Na1.5 Y1.5 -","1","0.166667","","Grzechnik, A.; Bouvier, P.; Mezouar, M.; Mathews, M.D.; Tyagi, A.K.; Koehler, J.","Hexagonal Na(1.5) Y(1.5) F6 at high pressures","Journal of Solid State Chemistry","2002","165","","159","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519065","10.356","0.002","10.356","0.002","4.0224","0.0008","90","","90","","120","","373.59","0.13","","","293","","","","","","","","","3","P -6","P -6","174","","","","- Br2 F12 Pb7 -","- Br2 F12 Pb7 -","- Br2 F12 Pb7 -","1","0.166667","","F. Kubel; H. Vollenkle","Hydrothermal synthesis and structure of the ordered modification of Pb7F12Br2","Solid State Sciences","2000","2","","193","196","","","x-ray","0.71073","MoKα","","","0.028","","","0.059","","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00","" "1521470","12.01","","12.01","","9.718","","90","","90","","120","","1213.93","","","","","","","","","","","","","4","P -6","P -6","174","","Dy (O H) (C O3)","","- C H Dy O4 -","- C Dy O4 -","- C18 Dy18 O72 -","18","3","","Kutlu, I.; Meyer, G.","Basische Carbonate des Dysprosiums: Dy2 O2 (C O3) und Dy (O H) (C O3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","402","406","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1521472","9.051","","9.051","","3.6577","","90","","90","","120","","259.497","","","","","","","","","","","","","3","P -6","P -6","174","","Yb2 Ni12 P7","","- Ni12 P7 Yb2 -","- Ni12 P7 Yb2 -","- Ni12 P7 Yb2 -","1","0.166667","","Kuz'ma, Yu.B.; Chikhrii, S.I.; Budnyk, S.L.","Yb - Ni - P system","Journal of Alloys Compd.","2000","298","","190","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","141683","2020-10-21","18:00:00","" "1523195","10.2743","","10.2743","","3.9875","","90","","90","","120","","364.532","","","","","","","","","","","","","3","P -6","P -6","174","","Pb7 Cl2 F12","","- Cl2 F12 Pb7 -","- Cl2 F12 Pb7 -","- Cl2 F12 Pb7 -","1","0.166667","","Aurivillius, B.","X-ray studies on (Pb F2)6 Pb X2 (X= Cl, Br) and Pb F I","Chemica Scripta","1976","10","","206","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","143808","2020-10-21","18:00:00","" "1524807","4.275","","4.275","","2.59","","90","","90","","120","","40.992","","","","","","","","","","","","","2","P -6","P -6","174","","","","- Cu0.7 Zn2 -","- Cu0.7 Zn2 -","- Cu0.7 Zn2 -","1","0.166667","","Lenz, J.; Schubert, K.","Ueber einige Leerstellen- und Stapelvarianten der beta-Messing Strukturfamilie","Zeitschrift fuer Metallkunde","1971","62","","810","816","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1524898","9.9392","","9.9392","","7.4419","","90","","90","","120","","636.674","","","","","","","","","","","","","6","P -6","P -6","174","","Ba3 La Na (P O4)3 F","","- Ba3 F La Na O12 P3 -","- Ba3.00105 F La0.99995 Na0.999 O12 P3 -","- Ba6.0021 F2 La1.9999 Na1.998 O24 P6 -","2","0.333333","","Mathew, M.; Schroeder, L.W.; Mayer, I.; Dickens, B.","Substitution in Barium-Fluoride Apatite: The Crystal Structures of Ba10 (P O/4)6 F2, Ba6 La2 Na2 (P O4)6 F2 and Ba4 Nd3 Na3 (P O4)6 F2","Journal of Solid State Chemistry","1979","28","","79","95","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525434","13.109","","13.109","","3.88","","90","","90","","120","","577.433","","","","","","","","","","","","","4","P -6","P -6","174","","K6 Ta6.5 O14.5 F9.5","","- F9.5 K6 O14.5 Ta6.5 -","- F9.504 K6 O14.496 Ta6.5 -","- F9.504 K6 O14.496 Ta6.5 -","1","0.166667","","Vlasse, M.; Boukhari, A.; Chaminade, J.P.; Pouchard, M.","Crystal structure of potassium tantalum oxyfluoride K6 Ta6.5 O14.5 F9.5","Materials Research Bulletin","1979","14","","101","108","","","","","","","","","","","","","","","","","","","","","","has coordinates","146393","2020-10-21","18:00:00","" "1525507","7.814","","7.814","","3.521","","90","","90","","120","","186.184","","","","","","","","","","","","","3","P -6","P -6","174","","","","- Co1.87 In4 Lu3 -","- Co1.87 In4 Lu3 -","- Co1.87 In4 Lu3 -","1","0.166667","","Zaremba, V.I.; Kal'ichak, Ya.M.; Zavalii, P.Yu.; Sobolev, A.N.","Crystal structure of Lu3 Co2-x On4 (x=0.13) compound and related compounds","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1989","1989","","37","39","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525842","9.6834","","9.6834","","3.3091","","90","","90","","120","","268.718","","","","","","","","","","","","","3","P -6","P -6","174","","(Ti4.52 Mo6.8) P7","","- Mo6.8 P7 Ti4.52 -","- Mo6.81 P7 Ti4.52 -","- Mo6.81 P7 Ti4.52 -","1","0.166667","","Lomnitskaya, Ya.F.; Chikhrii, S.I.; Kuz'ma, Yu.B.","The interaction of phosphorus with titanium and molybdenum","Journal of Alloys Compd.","2001","321","","91","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","146905","2020-10-21","18:00:00","" "1526371","6.07877","","6.07877","","7.1827","","90","","90","","120","","229.853","","","","","","","","","","","","","4","P -6","P -6","174","","Zn3 (V O4)2 (H2 O)2.93","","- H5.86 O10.93 V2 Zn3 -","- O10.93 V2 Zn3 -","- O10.93 V2 Zn3 -","1","0.166667","","Hoyos, D.A.; Echavarria, A.; Saldarriaga, C.","Synthesis and structure of a porous zinc vanadate, Zn3 (V O4)2 * 3(H2 O)","Journal of Materials Science","2001","36","","5515","5518","","","","","","","","","","","","","","","","","","","","","","has coordinates","147540","2020-10-21","18:00:00","" "1526692","9.378","","9.378","","3.838","","90","","90","","120","","292.318","","","","","","","","","","","","","3","P -6","P -6","174","","U2 Ni12 As7","","- As7 Ni12 U2 -","- As7 Ni12 U2 -","- As7 Ni12 U2 -","1","0.166667","","Stepien-Damm, Yu.; Kaczorowski, D.; Wochowski, K.","Crystal structure of U2 Ni12 As7","Journal of Alloys Compd.","2001","315","","4","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","147927","2020-10-21","18:00:00","" "1526715","9.48","","9.48","","6.898","","90","","90","","120","","536.872","","","","","","","","","","","","","4","P -6","P -6","174","","Ca9.55 ((P O4)5.52 (C O3)0.48) (C O3)1.157","","- C1.637 Ca9.55 O26.991 P5.52 -","- C1.56 Ca9.55 O26.99 P5.52 -","- C1.56 Ca9.55 O26.99 P5.52 -","1","0.166667","","Suetsugu, Y.; Takahashi, Y.; Okamura, F.P.; Tanaka, J.","Structure analysis of A-type carbonate apatite by a single-crystal X-ray diffraction method","Journal of Solid State Chemistry","2000","155","","292","297","","","","","","","","","","","","","","","","","","","","","","has coordinates","147956","2020-10-21","18:00:00","" "1528756","10.19","","10.19","","10.642","","90","","90","","120","","956.979","","","","","","","","","","","","","3","P -6","P -6","174","","Pb5 (Ge O4) (Ge2 O7)","","- Ge3 O11 Pb5 -","- Ge3 O11 Pb5 -","- Ge9 O33 Pb15 -","3","0.5","","Newnham, R.E.; Wolfe, R.W.; Darlington, C.N.W.","Prototype structure of Pb5 Ge3 O11","Journal of Solid State Chemistry","1973","6","","378","383","","","","","","","","","","","","","","","","","","","","","","has coordinates","151405","2020-10-21","18:00:00","" "1529070","9.3505","","9.3505","","3.7981","","90","","90","","120","","287.585","","","","","","","","","","","","","3","P -6","P -6","174","","Er2 Ni12 As7","","- As7 Er2 Ni12 -","- As7 Er2 Ni12 -","- As7 Er2 Ni12 -","1","0.166667","","Zelinska, M.; Zhak, O.; Oryshchyn, S.; Polianska. T.; Pivan, J.Y.","Solid state phase equilibria in the Er-Ni-P and Er-Ni-As systems at 800","AnorganischeChemie, Organische","2007","62","","1143","1152","","","","","","","","","","","","","","","","","","","","","","has coordinates","152038","2020-10-21","18:00:00","" "1530140","8.309","","8.309","","3.259","","90","","90","","120","","194.855","","","","","","","","","","","","","4","P -6","P -6","174","","Li Cd (B O3)","","- B Cd Li O3 -","- B Cd Li O3 -","- B3 Cd3 Li3 O9 -","3","0.5","","Kazanskaya, E.V.; Sandomirskii, P.A.; Belov, N.V.; Simonov, M.A.","The crystal structure of Li Cd B O3","Doklady Akademii Nauk SSSR","1978","238","","1340","1343","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531204","9.02654","","9.02654","","3.58185","","90","","90","","120","","252.744","","","","","","","","","","","","","3","P -6","P -6","174","","Yb2 Co12 P7","","- Co12 P7 Yb2 -","- Co12 P7 Yb2 -","- Co12 P7 Yb2 -","1","0.166667","","Budnyk, S.; Kuz'ma, Yu.B.","The system Yb - Co - P","Polish Journal of Chemistry","2002","76","","1553","1558","","","","","","","","","","","","","","","","","","","","","","has coordinates","156562","2020-10-21","18:00:00","" "1531293","9.28","","9.28","","3.705","","90","","90","","120","","276.322","","","","","","","","","","","","","3","P -6","P -6","174","","Nd2 Fe12 P7","","- Fe12 Nd2 P7 -","- Fe12 Nd2 P7 -","- Fe12 Nd2 P7 -","1","0.166667","","Chen, X.-F.; Shen, X.-M.","Preparation of monophasic Nd2 Fe12 P7 alloy and crystal structure","Journal of Jiangsu Institute of Petrochemical Technology","2002","14","","31","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","156688","2020-10-21","18:00:00","" "1531392","9.012","","9.012","","3.504","","90","","90","","120","","246.455","","","","","","","","","","","","","3","P -6","P -6","174","","Mg2 Co12 P7","","- Co12 Mg2 P7 -","- Co12 Mg2 P7 -","- Co12 Mg2 P7 -","1","0.166667","","Hellmann, A.; Mewis, A.","Neue Erdalkalimetall-Phosphide und -Arsenide des Cobalts","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1357","1364","","","","","","","","","","","","","","","","","","","","","","has coordinates","156855","2020-10-21","18:00:00","" "1531393","9.073","","9.073","","3.585","","90","","90","","120","","255.577","","","","","","","","","","","","","3","P -6","P -6","174","","","","- Ca2 Co12 P7 -","- Ca2 Co12 P7 -","- Ca2 Co12 P7 -","1","0.166667","","Hellmann, A.; Mewis, A.","Neue Erdalkalimetall-Phosphide und -Arsenide des Cobalts","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1357","1364","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1531597","9.6121","","9.6121","","3.564","","90","","90","","120","","285.171","","","","","","","","","","","","","3","P -6","P -6","174","","","","- Al1.873 Mn1.85 Si2.87 -","- Al1.87333 Mn1.849 Si2.869 -","- Al5.62 Mn5.547 Si8.607 -","3","0.5","","Krendelsberger, N.; Gulay, L.D.; Weitzer, F.; Hiebl, K.; Schuster, J.C.","The crystal structure and physical properties of tau1-(Al2 Mn2 Si3) compound","Journal of Alloys Compd.","2002","336","","67","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1532374","9.013","","9.013","","3.59","","90","","90","","120","","252.56","","","","","","","","","","","","","3","P -6","P -6","174","","Sc2 Ni12 P7","","- Ni12 P7 Sc2 -","- Ni12 P7 Sc2 -","- Ni12 P7 Sc2 -","1","0.166667","","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","158080","2020-10-21","18:00:00","" "1534801","8.994","","8.994","","3.575","","90","","90","","120","","250.445","","","","","","","","","","","","","3","P -6","P -6","174","","Ni12 Zr2 P7","","- Ni12 P7 Zr2 -","- Ni12 P7 Zr2 -","- Ni12 P7 Zr2 -","1","0.166667","","Guerin, R.; Ghadraoui, E.G.E.; Pivan, J.Y.; Sergent, M.; Padiou, J.","Nouveau type structural dans la chimie des phosphures: Le compose ternaire Ni20 Zr6 P13. Preparation, structure et proprietes.","Materials Research Bulletin","1984","19","","1257","1270","","","","","","","","","","","","","","","","","","","","","","has coordinates","161804","2020-10-21","18:00:00","" "1534804","12.485","","12.485","","3.622","","90","","90","","120","","488.941","","","","","","","","","","","","","3","P -6","P -6","174","","Ni20 Zr6 P13","","- Ni20 P13 Zr6 -","- Ni20 P13 Zr6 -","- Ni20 P13 Zr6 -","1","0.166667","","Guerin, R.; Ghadraoui, E.G.E.; Pivan, J.Y.; Padiou, J.; Sergent, M.","Nouveau type structural dans la chimie des phosphures: Le compose ternaire Ni20 Zr6 P13. Preparation, structure et proprietes.","Materials Research Bulletin","1984","19","","1257","1270","","","","","","","","","","","","","","","","","","","","","","has coordinates","161809","2020-10-21","18:00:00","" "1535476","10.773","","10.773","","8.1453","","90","","90","","120","","818.674","","","","","","","","","","","","","3","P -6","P -6","174","","K2 Os O5","","- K2 O5 Os -","- K2 O5 Os -","- K12 O30 Os6 -","6","1","","Mogare, K.M.; Jansen, M.; Klein, W.","Synthesis and crystal structure of potassium osmate(VIII), K2 Os O5","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","468","471","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535639","10.0094","","10.0094","","3.9543","","90","","90","","120","","343.097","","","","","","","","","","","","","3","P -6","P -6","174","","Yb4.6 Pd9.4 P7","","- P7 Pd9.4 Yb4.6 -","- P7 Pd9.42 Yb4.58 -","- P7 Pd9.42 Yb4.58 -","1","0.166667","","Budnyk, S.; Prots', Yu.M.; Schmidt, M.; Schnelle, W.; Kuz'ma, Yu.B.; Grin', Yu.","Yb(2+3-x) Pd(12-3+x) P7 (x = 0.40): Different ytterbium species in a substituted structural motif of the Zr2 Fe12 P7 type","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1062","1067","","","","","","","","","","","","","","","","","","","","","","has coordinates","163078","2020-10-21","18:00:00","" "1536151","16.219","","16.219","","3.8778","","90","","90","","120","","883.414","","","","","","","","","","","","","3","P -6","P -6","174","","Tm12.57 Ni25.22 As19","","- As19 Ni25.22 Tm12.57 -","- As19 Ni25.225 Tm12.565 -","- As19 Ni25.225 Tm12.565 -","1","0.166667","","Jeitschko, W.; Terbuechte, L.J.; Rodewald, U.C.","Preparation and crystal structure of the ternary lanthanoid nickel arsenides Ln13 Ni25 As19 (Ln = Tm, Yb, and Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2095","2099","","","","","","","","","","","","","","","","","","","","","","has coordinates","163756","2020-10-21","18:00:00","" "1536500","9.037","","9.037","","3.584","","90","","90","","120","","253.482","","","","","","","","","","","","","3","P -6","P -6","174","","","","- Li2 Ni12 P7 -","- Li2 Ni12 P7 -","- Li2 Ni12 P7 -","1","0.166667","","Pavlyuk, V.V.; Bodak, O.I.","Crystal structure of compounds Li2Ni12P7 and Li2Co12P7.","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1992","28","","991","994","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1537045","7.814","","7.814","","3.838","","90","","90","","120","","202.947","","","","","","","","","","","","","3","P -6","P -6","174","","Gd3 Rh1.94 In4","","- Gd3 In4 Rh1.94 -","- Gd3 In4 Rh1.94 -","- Gd3 In4 Rh1.94 -","1","0.166667","","Rodewald, U.C.; Lukachuk, M.; Hoffmann, R.D.; Poettgen, R.","Syntheses and Structure of Gd3 Rh1.94 0(7) In4","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2005","136","","1985","1991","","","","","","","","","","","","","","","","","","","","","","has coordinates","165019","2020-10-21","18:00:00","" "1537324","9.0002","","9.0002","","3.592","","90","","90","","120","","251.983","","","","","","","","","","","","","3","P -6","P -6","174","","Fe12 Zr2 P7","","- Fe12 P7 Zr2 -","- Fe12 P7 Zr2 -","- Fe12 P7 Zr2 -","1","0.166667","","Ganglberger, E.","Die Kristallstruktur von Fe12 Zr2 P7","Monatshefte fuer Chemie (-108,1977)","1968","99","","557","865","","","","","","","","","","","","","","","","","","","","","","has coordinates","165407","2020-10-21","18:00:00","" "1537591","16.7821","","16.7821","","3.3196","","90","","90","","120","","809.672","","","","","","","","","","","","","3","P -6","P -6","174","","Ti3.8 Mo8.2 P7","","- Mo8.2 P7 Ti3.8 -","- Mo8.24 P7.00667 Ti3.76 -","- Mo24.72 P21.02 Ti11.28 -","3","0.5","","Lomnitskaya, Ya.F.; Kuz'ma, Yu.B.; Babizhet'sky, V.S.; Orishchin, S.V.","Crystal structure of (Ti, Mo)12 P7 and refined phase equilibria in the Ti-Mo-P system","Neorganicheskie Materialy","2003","39","","664","670","","","","","","","","","","","","","","","","","","","","","","has coordinates","165855","2020-10-21","18:00:00","" "1537592","25.2015","","25.2015","","3.3007","","90","","90","","120","","1815.47","","","","","","","","","","","","","3","P -6","P -6","174","","V3.2 Mo8.8 P7","","- Mo8.8 P7 V3.2 -","- Mo8.78571 P7 V3.21429 -","- Mo61.5 P49 V22.5 -","7","1.16667","","Lomnitskaya, Ya.F.; Guerin, R.; Kuz'ma, Yu.B.; Orishchin, S.V.; Babizhet'sky, V.S.","Crystal structure of (V, Mo)84 P49","Neorganicheskie Materialy","2004","40","","804","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","165856","2020-10-21","18:00:00","" "1537765","11.92","","11.92","","4.289","","90","","90","","120","","527.763","","","","","","","","","","","","","3","P -6","P -6","174","","K1.88 Sn5.06 Cl12","","- Cl12 K1.88 Sn5.06 -","- Cl12 K1.937 Sn4.998 -","- Cl12 K1.937 Sn4.998 -","1","0.166667","","Beck, H.P.; Nau, H.","Zur Kenntnis der Phasen A2-2x Sn5+x Cl12 (A= K, In)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","558","","193","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","166090","2020-10-21","18:00:00","" "1537767","11.898","","11.898","","4.312","","90","","90","","120","","528.637","","","","","","","","","","","","","3","P -6","P -6","174","","In1.71 Sn5.14 Cl12","","- Cl12 In1.71 Sn5.14 -","- Cl12 In1.708 Sn5.142 -","- Cl12 In1.708 Sn5.142 -","1","0.166667","","Beck, H.P.; Nau, H.","Zur Kenntnis der Phasen A2-2x Sn5+x Cl12 (A= K, In)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","558","","193","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","166093","2020-10-21","18:00:00","" "1538445","9.3242","","9.3242","","3.3807","","90","","90","","120","","254.543","","","","","","","","","","","","","3","P -6","P -6","174","","Mo6.54 Mn5.46 P7","","- Mn5.46 Mo6.54 P7 -","- Mn5.46 Mo6.54 P7 -","- Mn5.46 Mo6.54 P7 -","1","0.166667","","Orishchin, S.V.; Zhak, O.V.; le Senechal, C.; Deputier, S.; Guerin, R.","Crystal structures of Zr2 Mn12 P7 and (Mo, Mn)12 P7","Neorganicheskie Materialy","2004","40","","709","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","166995","2020-10-21","18:00:00","" "1540926","3.743","","3.743","","15.919","","90","","90","","120","","193.146","","","","","","","","","","","","","2","P -6","P -6","174","","","","- Ga Se -","- Ga Se -","- Ga4 Se4 -","4","0.666667","","Schubert, K.; Doerre, E.; Kluge, M.","Zur Kristallchemie der B-Metalle. III. Kristallstruktur von Ga Se und In Te","Zeitschrift fuer Metallkunde","1955","46","","216","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1542478","10.5878","0.0015","10.5878","0.0015","4.1528","0.0008","90","","90","","120","","403.17","0.11","293","2","293","2","","","","","","","","4","P -6","P -6","174","","Hexabarium lead(II) dodecafluoride dichloride","","- Ba5.78 Cl2 F12 Pb1.22 -","- Ba5.78 Cl2 F12 Pb1.22 -","- Ba5.78 Cl2 F12 Pb1.22 -","1","0.166667","HB4002","Weil, Matthias","The solid solution Ba~5.78~Pb~1.22~F~12~Cl~2~","IUCrData","2016","1","1","x152427","","10.1107/S241431461502427X","","","0.71073","MoKα","","0.0663","0.0568","","","0.1213","0.1272","","","","","","1.049","","","","has coordinates,has Fobs","177526","2020-10-21","18:00:00","" "1544859","12.473","0.0009","12.473","0.0009","9.9607","0.0014","90","","90","","120","","1342","0.2","","","","","","","","","","","","13","P -6","P -6","174","Ce(CO3)OH","","hydroxylbastnasite-(Ce)","- C H0.85 Ce0.49 Eu0.01 F0.15 Gd0.01 La0.21 Nd0.16 O3.85 Pr0.06 Sm0.02 Th0.01 Y0.03 -","- C Ce O4 -","- C18 Ce18 O72 -","18","3","","Michiba, K.; Miyawaki, R.; Minakawa, T.; Terada, Y.; Nakai, I.; Matsubara, S.","Crystal structure of hydroxylbastnasite-(Ce) from Kamihouri, Miyazaki Prefecture, Japan","Journal of Mineralogical and Petrological Sciences","2013","108","","326","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","189371","2020-10-21","18:00:00","" "1563393","8.7558","0.0012","8.7558","0.0012","10.483","0.002","90","","90","","120","","696","0.19","295","2","295","2","","","","","","","","4","P -6","P -6","174","lanthanum-tin-manganese carbide","lanthanum-tin-manganese carbide","","- C18 La14 Mn3 Sn -","- C18 La14 Mn3 Sn -","- C18 La14 Mn3 Sn -","1","0.166667","","Zaikina, Julia V.; Zhou, Haidong; Latturner, Susan E.","Structural relationships between new carbide La14Sn(MnC6)3 and fully ordered La11(MnC6)3","Journal of Solid State Chemistry","2010","183","12","2987","2994","10.1016/j.jssc.2010.10.004","","","0.71073","MoKα","","0.0259","0.0255","","","0.0514","0.0515","","","","","","1.138","","","","has coordinates","266430","2021-06-14","08:46:09","" "1563394","8.75","0.0001","8.75","0.0001","10.464","0.0002","90","","90","","120","","693.816","0.017","150","","150","","","","","","","","","4","P -6","P -6","174","lanthanum-tin-manganese carbide","lanthanum-tin-manganese carbide","","- C18 La14 Mn3 Sn -","- C18 La14 Mn3 Sn -","- C18 La14 Mn3 Sn -","1","0.166667","","Zaikina, Julia V.; Zhou, Haidong; Latturner, Susan E.","Structural relationships between new carbide La14Sn(MnC6)3 and fully ordered La11(MnC6)3","Journal of Solid State Chemistry","2010","183","12","2987","2994","10.1016/j.jssc.2010.10.004","","","0.71073","MoKα","","0.0297","0.029","","","0.058","0.0584","","","","","","1.168","","","","has coordinates","266430","2021-06-14","08:46:09","" "1571332","17.7326","0.0006","17.7326","0.0006","7.7899","0.0003","90","","90","","120","","2121.33","0.13","300","","300","","","","","","","","","4","P -6","P -6","174","","","","- Ba Ga6 Mg6 Se16 -","- Ba Ga6 Mg6 Se16 -","- Ba3 Ga18 Mg18 Se48 -","3","0.5","","Wang, Linan; Chu, Dongdong; Yang, Zhihua; Li, Junjie; Pan, Shilie","Wide band gap selenide infrared nonlinear optical materials AIIMg6Ga6Se16 with strong SHG responses and high laser-induced damage thresholds.","Chemical science","2024","15","17","6577","6582","10.1039/d4sc00334a","","","0.71073","MoKα","","0.0338","0.0261","","","0.0618","0.067","","","","","","1.022","","","","has coordinates","291559","2024-05-05","01:33:19","" "1571333","17.5327","0.0003","17.5327","0.0003","7.7603","0.0002","90","","90","","120","","2065.89","0.07","273.15","","273.15","","","","","","","","","4","P -6","P -6","174","","","","- Ca Ga6 Mg6 Se16 -","- Ca Ga6 Mg6 Se16 -","- Ca3 Ga18 Mg18 Se48 -","3","0.5","","Wang, Linan; Chu, Dongdong; Yang, Zhihua; Li, Junjie; Pan, Shilie","Wide band gap selenide infrared nonlinear optical materials AIIMg6Ga6Se16 with strong SHG responses and high laser-induced damage thresholds.","Chemical science","2024","15","17","6577","6582","10.1039/d4sc00334a","","","0.71073","MoKα","","0.0537","0.0389","","","0.0989","0.1089","","","","","","1.081","","","","has coordinates","291559","2024-05-05","01:33:29","" "1571334","17.6115","0.0009","17.6115","0.0009","7.7684","0.0003","90","","90","","120","","2086.68","0.17","300","","300","","","","","","","","","4","P -6","P -6","174","","","","- Ga6 Mg6 Se16 Sr -","- Ga6 Mg6 Se16 Sr -","- Ga18 Mg18 Se48 Sr3 -","3","0.5","","Wang, Linan; Chu, Dongdong; Yang, Zhihua; Li, Junjie; Pan, Shilie","Wide band gap selenide infrared nonlinear optical materials AIIMg6Ga6Se16 with strong SHG responses and high laser-induced damage thresholds.","Chemical science","2024","15","17","6577","6582","10.1039/d4sc00334a","","","0.71073","MoKα","","0.0394","0.0243","","","0.0574","0.0647","","","","","","1.023","","","","has coordinates","291559","2024-05-05","01:33:29","" "2015343","21.3281","0.0007","21.3281","0.0007","4.1993","0.0003","90","","90","","120","","1654.29","0.14","293","","293","","","","","","","","","3","P -6","P -6","174","barium fluoride chloride","heptabarium dodecafluoride dichloride","","- Ba4.6667 Cl1.3333 F8 -","- Ba4.66667 Cl1.33333 F8 -","- Ba28 Cl8 F48 -","6","1","BC1095","Bernsteiner, Anita; Kubel, Frank","A hexagonal 2a,c superstructure of Ba~7~F~12~Cl~2~","Acta Crystallographica Section C","2006","62","6","i41","i42","10.1107/S010827010601273X","","","0.71073","MoKα","","0.0652","0.0375","","","","0.0309","","","2.382","","","2.3821","","","","has coordinates","176432","2020-10-21","18:00:00","" "2212722","6.7373","0.0005","6.7373","0.0005","6.1048","0.0009","90","","90","","120","","239.98","0.04","298","2","298","2","","","","","","","","4","P -6","P -6","174","Lanthanum Cyclotriphosphate Trihydrate","Lanthanum cyclotriphosphate trihydrate","","- H6 La O12 P3 -","- H6 La O12 P3 -","- H6 La O12 P3 -","1","0.166667","WM2090","Khlissa, Faycel; Férid, Mokhtar","Cyclotriphosphate trihydraté de lanthane","Acta Crystallographica Section E","2007","63","3","i64","i66","10.1107/S1600536807004734","","","0.71073","MoKα","","0.0145","0.0145","","","0.0371","0.0371","","","","","","1.155","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00","" "2228901","8.4624","0.0003","8.4624","0.0003","13.069","0.0007","90","","90","","120","","810.51","0.06","294","2","294","2","","","","","","","","4","P -6","P -6","174","","trizinc borate phosphate","","- B O7 P Zn3 -","- B O7 P Zn3 -","- B6 O42 P6 Zn18 -","6","1","WM2419","Zhang, Erpan; Zhao, Sangen; Zhang, Jianxiu; Fu, Peizhen; Yao, Jiyong","The β-modification of trizinc borate phosphate, Zn~3~(BO~3~)(PO~4~)","Acta Crystallographica Section E","2011","67","1","i3","","10.1107/S1600536810051871","","","0.71073","MoKα","","0.0224","0.0191","","","0.0389","0.0394","","","","","","0.962","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "2243664","7.97","0.0014","7.97","0.0014","3.2034","0.0004","90","","90","","120","","176.22","0.05","293","2","293","2","","","","","","","","2","P -6","P -6","174","Cobalt phosphide","Dodecacobalt heptaphosphide","","- Co12 P7 -","- Co12 P7 -","- Co12 P7 -","1","0.166667","WM5583","Zurkowski, Claire; Lavina, Barbara; Chariton, Stella; Tkachev, Sergey; Prakapenka, Vitali; Campbell, Andrew","The novel high-pressure/high-temperature compound Co~12~P~7~ determined from synchrotron data","Acta Crystallographica Section E","2020","76","10","1665","1668","10.1107/S2056989020012657","","","0.29521","synchrotron","","0.0377","0.0369","","","0.0951","0.0957","","","","","","1.124","","","","has coordinates,has Fobs","259017","2020-11-06","23:25:30","" "2243665","8.253","0.005","8.253","0.005","3.2902","0.0018","90","","90","","120","","194.1","0.2","293","2","293","2","","","","","","","","2","P -6","P -6","174","","","","- Co12 P7 -","- Co12 P7 -","- Co12 P7 -","1","0.166667","","Zurkowski, Claire; Lavina, Barbara; Chariton, Stella; Tkachev, Sergey; Prakapenka, Vitali; Campbell, Andrew","The novel high-pressure/high-temperature compound Co~12~P~7~ determined from synchrotron data","Acta Crystallographica Section E","2020","76","10","1665","1668","10.1107/S2056989020012657","","","0.3344","synchrotron","","0.0835","0.0533","","","0.0955","0.105","","","","","","1.111","","","","has coordinates,has Fobs","259017","2020-11-06","23:25:32","" "4002221","9.683","","9.683","","9.518","","90","","90","","120","","772.852","","","","","","","","","","","","","4","P -6","P -6","174","","Ba3 Co2 O6 (C O3)0.6","","- C0.6 Ba3 Co2 O7.8 -","- C0.595 Ba3 Co2 O7.785 -","- C2.38 Ba12 Co8 O31.14 -","4","0.666667","","Boulahya, K.; Amador, U.; Parras, M.; Gonzalez-Calbet, J.M.","The oxycarbonate Ba3 Co2 O6 (C O3)0.60 with a 2H-(A B O3)-related structure","Chemistry of Materials (1,1989-)","2000","12","","966","972","","","","","","","","","","","","","","","","","","","","","","has coordinates","140443","2020-10-21","18:00:00","" "4003672","26.77","0.003","26.77","0.003","14.86","0.002","90","","90","","120","","9222.4","1.9","100","2","100","2","","","","","","","","5","P -6","P -6","174","","","","- C15 H75 I27 N30 Pb6 -","- C15 H75 I27 N30 Pb6 -","- C45 H225 I81 N90 Pb18 -","3","0.5","","Petrov, Andrey A.; Fateev, Sergey A.; Khrustalev, Victor N.; Li, Yumao; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.","Formamidinium Haloplumbate Intermediates: The Missing Link in a Chain of Hybrid Perovskites Crystallization","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02156","","","0.80246","synchrotron","","0.151","0.123","","","0.2654","0.2866","","","","","","1.049","","","","has coordinates,has disorder","256268","2020-10-21","18:00:00","" "4304103","13.389","0.0013","13.389","0.0013","9.6154","0.001","90","","90","","120","","1492.8","0.3","193","2","193","2","","","","","","","","2","P -6","P -6","174","calcium mercury (11/54)","calcium mercury (11/54)","","- Ca10.92 Hg54.08 -","- Ca10.92 Hg54.08 -","- Ca10.92 Hg54.08 -","1","0.166667","","Andriy V. Tkachuk; Arthur Mar","Alkaline-Earth Metal Mercury Intermetallics A11-xHg54+x (A= Ca, Sr)","Inorganic Chemistry","2008","47","","1313","1318","10.1021/ic7015148","","","0.71073","MoKα","","0.0497","0.0439","","","0.1022","0.1052","","","","","","1.039","","","","has coordinates","179079","2020-10-21","18:00:00","" "4304104","13.6016","0.0015","13.6016","0.0015","9.8177","0.0011","90","","90","","120","","1573","0.3","193","2","193","2","","","","","","","","2","P -6","P -6","174","strontium mercury (11/54)","strontium mercury (11/54)","","- Hg54.52 Sr10.48 -","- Hg54.52 Sr10.48 -","- Hg54.52 Sr10.48 -","1","0.166667","","Andriy V. Tkachuk; Arthur Mar","Alkaline-Earth Metal Mercury Intermetallics A11-xHg54+x (A= Ca, Sr)","Inorganic Chemistry","2008","47","","1313","1318","10.1021/ic7015148","","","0.71073","MoKα","","0.0815","0.063","","","0.1553","0.1686","","","","","","1.01","","","","has coordinates","179079","2020-10-21","18:00:00","" "4314760","5.06579","0.00007","5.06579","0.00007","4.27999","0.00007","90","","90","","120","","95.119","0.002","","","","","","","","","","","","5","P -6","P -6","174","BaZnBO3F","Barium Zinc Fluoroborate","","- B Ba F O3 Zn -","- B Ba F O3 Zn -","- B Ba F O3 Zn -","1","0.166667","","Ru Kang Li; Peng Chen","Cation Coordination Control of Anionic Group Alignment to Maximize SHG Effects in the BaMBO3F (M = Zn, Mg) Series","Inorganic Chemistry","2010","49","","1561","1565","10.1021/ic901698b","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179227","2020-10-21","18:00:00","" "4320357","16.6955","0.0006","16.6955","0.0006","3.5582","0.0001","90","","90","","120","","858.93","0.05","295","2","295","2","","","","","","","","3","P -6","P -6","174","niobium palladium arsenide","niobium palladium arsenide","","- As21 Nb27 Pd3 -","- As21 Nb27 Pd3 -","- As21 Nb27 Pd3 -","1","0.166667","","Meitian Wang; Arthur Mar","Nb9PdAs7: A Unique Arrangement in the Mn2+3n+2Xn2+nY Family of Hexagonal Structures","Inorganic Chemistry","2001","40","","5365","5370","10.1021/ic010544h","","","0.71073","MoKα","","0.0529","0.0328","","","0.0617","0.0728","","","","","","1.017","","","","has coordinates","179306","2020-10-21","18:00:00","" "4327898","27.175","0.009","27.175","0.009","4.225","0.002","90","","90","","120","","2702.1","1.8","273","2","273","2","","","","","","","","4","P -6","P -6","174","","","","- Ba24 Hg9 S54 U9 -","- Ba24 Hg9 S54 U9 -","- Ba24 Hg9 S54 U9 -","1","0.166667","","Daniel E. Bugaris; James A. Ibers","Ba8Hg3U3S18: A Complex Uranium(+4)/Uranium(+5) Sulfide","Inorganic Chemistry","2012","51","","661","666","10.1021/ic202161y","","","0.71073","MoKα","","0.0358","0.027","","","0.0564","0.0622","","","","","","1.046","","","","has coordinates","179381","2020-10-21","18:00:00","" "4331406","13.389","","13.389","","8.04","","90","","90","","120","","1248.2","","","","","","","","","","","","","3","P -6","P -6","174","","Rb (Ag5 S3)","","- Ag5 Rb S3 -","- Ag5 Rb S3 -","- Ag30 Rb6 S18 -","6","1","","Kolis, J.W.; Wood, P.T.; Pennington, W.T.","Synthesis of new channeled structures in supercritical amines: Preparation and structure of RbAg5S3 and CsAg7S4","Inorganic Chemistry","1994","33","","1556","1558","10.1021/ic00085a055","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4333624","9.9226","0.0005","9.9226","0.0005","3.9912","0.0002","90","","90","","120","","340.32","0.03","173","2","173","2","","","","","","","","4","P -6","P -6","174","cerium manganese copper arsenide (2/3/9/7)","cerium manganese copper arsenide (2/3/9/7)","","- As7 Ce2 Cu9 Mn3 -","- As7 Ce2 Cu9 Mn3 -","- As7 Ce2 Cu9 Mn3 -","1","0.166667","","Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar","Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure","Inorganic Chemistry","2013","52","","1040","1046","10.1021/ic3023375","","","0.71073","MoKα","","0.024","0.022","","","0.0461","0.0466","","","","","","1.17","","","","has coordinates","179439","2020-10-21","18:00:00","" "4333625","9.6444","0.0003","9.6444","0.0003","3.9027","0.0001","90","","90","","120","","314.374","0.016","173","2","173","2","","","","","","","","4","P -6","P -6","174","lanthanum manganese copper phosphide (2/3/9/7)","lanthanum manganese copper phosphide (2/3/9/7)","","- Cu9 La2 Mn3 P7 -","- Cu9 La2 Mn3 P7 -","- Cu9 La2 Mn3 P7 -","1","0.166667","","Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar","Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure","Inorganic Chemistry","2013","52","","1040","1046","10.1021/ic3023375","","","0.71073","MoKα","","0.0237","0.0232","","","0.0567","0.057","","","","","","1.212","","","","has coordinates","179439","2020-10-21","18:00:00","" "4333626","9.6592","0.0003","9.6592","0.0003","3.8686","0.0001","90","","90","","120","","312.584","0.016","173","2","173","2","","","","","","","","4","P -6","P -6","174","cerium manganese copper phosphide (2/3/9/7)","cerium manganese copper phosphide (2/3/9/7)","","- Ce2 Cu9 Mn3 P7 -","- Ce2 Cu9 Mn3 P7 -","- Ce2 Cu9 Mn3 P7 -","1","0.166667","","Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar","Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure","Inorganic Chemistry","2013","52","","1040","1046","10.1021/ic3023375","","","0.71073","MoKα","","0.0133","0.0132","","","0.0287","0.0288","","","","","","1.147","","","","has coordinates","179439","2020-10-21","18:00:00","" "4333627","9.6468","0.0004","9.6468","0.0004","3.8508","0.0002","90","","90","","120","","310.35","0.02","173","2","173","2","","","","","","","","4","P -6","P -6","174","praseodymium manganese copper phosphide (2/3/9/7)","praseodymium manganese copper phosphide (2/3/9/7)","","- Cu9 Mn3 P7 Pr2 -","- Cu9 Mn3 P7 Pr2 -","- Cu9 Mn3 P7 Pr2 -","1","0.166667","","Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar","Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure","Inorganic Chemistry","2013","52","","1040","1046","10.1021/ic3023375","","","0.71073","MoKα","","0.024","0.0226","","","0.055","0.0557","","","","","","1.245","","","","has coordinates","179439","2020-10-21","18:00:00","" "4333628","9.642","0.004","9.642","0.004","3.8404","0.0015","90","","90","","120","","309.2","0.2","173","2","173","2","","","","","","","","4","P -6","P -6","174","neodymium manganese copper phosphide (2/3/9/7)","neodymium manganese copper phosphide (2/3/9/7)","","- Cu9 Mn3 Nd2 P7 -","- Cu9 Mn3 Nd2 P7 -","- Cu9 Mn3 Nd2 P7 -","1","0.166667","","Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar","Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure","Inorganic Chemistry","2013","52","","1040","1046","10.1021/ic3023375","","","0.71073","MoKα","","0.0278","0.0247","","","0.0489","0.05","","","","","","1.149","","","","has coordinates","179439","2020-10-21","18:00:00","" "4333629","9.6356","0.0002","9.6356","0.0002","3.8188","0.0002","90","","90","","120","","307.054","0.018","173","2","173","2","","","","","","","","4","P -6","P -6","174","samarium manganese copper phosphide (2/3/9/7)","samarium manganese copper phosphide (2/3/9/7)","","- Cu9 Mn3 P7 Sm2 -","- Cu9 Mn3 P7 Sm2 -","- Cu9 Mn3 P7 Sm2 -","1","0.166667","","Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar","Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure","Inorganic Chemistry","2013","52","","1040","1046","10.1021/ic3023375","","","0.71073","MoKα","","0.0126","0.0124","","","0.0277","0.0278","","","","","","1.134","","","","has coordinates","179439","2020-10-21","18:00:00","" "4333630","9.5977","0.0007","9.5977","0.0007","3.7981","0.0003","90","","90","","120","","302.99","0.04","173","2","173","2","","","","","","","","4","P -6","P -6","174","gadolinium manganese copper phosphide (2/3/9/7)","gadolinium manganese copper phosphide (2/3/9/7)","","- Cu9 Gd2 Mn3 P7 -","- Cu9 Gd2 Mn3 P7 -","- Cu9 Gd2 Mn3 P7 -","1","0.166667","","Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar","Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure","Inorganic Chemistry","2013","52","","1040","1046","10.1021/ic3023375","","","0.71073","MoKα","","0.0247","0.0234","","","0.054","0.0548","","","","","","1.068","","","","has coordinates","179439","2020-10-21","18:00:00","" "4333631","9.6016","0.0007","9.6016","0.0007","3.7867","0.0003","90","","90","","120","","302.33","0.04","173","2","173","2","","","","","","","","4","P -6","P -6","174","terbium manganese copper phosphide (2/3/9/7)","terbium manganese copper phosphide (2/3/9/7)","","- Cu9 Mn3 P7 Tb2 -","- Cu9 Mn3 P7 Tb2 -","- Cu9 Mn3 P7 Tb2 -","1","0.166667","","Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar","Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure","Inorganic Chemistry","2013","52","","1040","1046","10.1021/ic3023375","","","0.71073","MoKα","","0.0176","0.017","","","0.0382","0.0384","","","","","","1.151","","","","has coordinates","179439","2020-10-21","18:00:00","" "4333632","9.597","0.0007","9.597","0.0007","3.7761","0.0003","90","","90","","120","","301.19","0.04","173","2","173","2","","","","","","","","4","P -6","P -6","174","dysprosium manganese copper phosphide (2/3/9/7)","dysprosium manganese copper phosphide (2/3/9/7)","","- Cu9 Dy2 Mn3 P7 -","- Cu9 Dy2 Mn3 P7 -","- Cu9 Dy2 Mn3 P7 -","1","0.166667","","Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar","Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure","Inorganic Chemistry","2013","52","","1040","1046","10.1021/ic3023375","","","0.71073","MoKα","","0.0287","0.0249","","","0.0476","0.0491","","","","","","1.118","","","","has coordinates","179439","2020-10-21","18:00:00","" "4333633","9.9376","0.0006","9.9376","0.0006","4.0194","0.0002","90","","90","","120","","343.76","0.03","173","2","173","2","","","","","","","","4","P -6","P -6","174","lanthanum manganese copper arsenide (2/3/9/7)","lanthanum manganese copper arsenide (2/3/9/7)","","- As7 Cu9 La2 Mn3 -","- As7 Cu9 La2 Mn3 -","- As7 Cu9 La2 Mn3 -","1","0.166667","","Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar","Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure","Inorganic Chemistry","2013","52","","1040","1046","10.1021/ic3023375","","","0.71073","MoKα","","0.0298","0.024","","","0.0486","0.0506","","","","","","1.08","","","","has coordinates","179439","2020-10-21","18:00:00","" "4333634","9.913","0.0003","9.913","0.0003","3.9611","0.0001","90","","90","","120","","337.098","0.017","173","2","173","2","","","","","","","","4","P -6","P -6","174","neodymium manganese copper arsenide (2/3/9/7)","neodymium manganese copper arsenide (2/3/9/7)","","- As7 Cu9 Mn3 Nd2 -","- As7 Cu9 Mn3 Nd2 -","- As7 Cu9 Mn3 Nd2 -","1","0.166667","","Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar","Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure","Inorganic Chemistry","2013","52","","1040","1046","10.1021/ic3023375","","","0.71073","MoKα","","0.0223","0.0223","","","0.0536","0.0536","","","","","","1.369","","","","has coordinates","179439","2020-10-21","18:00:00","" "4333635","9.9196","0.0003","9.9196","0.0003","3.9748","0.0001","90","","90","","120","","338.715","0.017","173","2","173","2","","","","","","","","4","P -6","P -6","174","praseodymium manganese copper arsenide (2/3/9/7)","praseodymium manganese copper arsenide (2/3/9/7)","","- As7 Cu9 Mn3 Pr2 -","- As7 Cu9 Mn3 Pr2 -","- As7 Cu9 Mn3 Pr2 -","1","0.166667","","Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar","Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure","Inorganic Chemistry","2013","52","","1040","1046","10.1021/ic3023375","","","0.71073","MoKα","","0.0188","0.0188","","","0.0475","0.0475","","","","","","1.306","","","","has coordinates","179439","2020-10-21","18:00:00","" "4343818","6.1","","6.1","","3.711","","90","","90","","120","","119.586","","","","","","","","","","","","","3","P -6","P -6","174","","(Na Nd F4)1.5","","- F6 Na1.5 Nd1.5 -","- F6 Na1.5 Nd1.5 -","- F6 Na1.5 Nd1.5 -","1","0.166667","","Burns, J.H.","Crystal structure of hexagonal sodium neodynium fluoride and related compounds","Inorganic Chemistry","1965","4","","881","886","","","","","","","","","","","","","","","","","","","","","","has coordinates","150549","2020-10-21","18:00:00","" "4515174","15.6998","0.0003","15.6998","0.0003","8.0618","0.0003","90","","90","","120","","1720.88","0.08","293","","293","","","","","","","","","6","P -6","P -6","174","thiazolium lead iodide","","","- C3 H3 I4.5 N3 Pb1.5 S1.5 -","- C3 H6 I4.5 N3 Pb1.5 S1.5 -","- C12 H24 I18 N12 Pb6 S6 -","4","0.666667","","Gao, Lili; Spanopoulos, Ioannis; Ke, Weijun; Huang, Sheng; Hadar, Ido; Chen, Lin; Li, Xiaolei; Yang, Guanjun; Kanatzidis, Mercouri G.","Improved Environmental Stability and Solar Cell Efficiency of (MA,FA)PbI3 Perovskite Using a Wide-Band-Gap 1D Thiazolium Lead Iodide Capping Layer Strategy","ACS Energy Letters","2019","4","7","1763","","10.1021/acsenergylett.9b00930","","x-ray","0.71073","MoKα","","0.0511","0.0478","","","0.1406","0.1414","","","","4.52","4.52","4.37","","","","has coordinates","220276","2020-10-21","18:00:00","" "6000206","8.3115","0.0001","8.3115","0.0001","3.3858","0.0001","90","","90","","120","","233.88","","","","","","","","","","","","","4","P -6","P -6","174","","","","- C Li Na O3 -","- C Li Na O4 -","- C3 Li3 Na3 O12 -","3","0.5","","Zhukov, S. G.; Yatsenko, A. V.; Chernyshev, V. V.; D'yakov, V. A.; Le, Loux R; Schenk, H.","X-ray high temperature powder diffraction study and computer simulation of gamma-LiNaCO3","Zeitschrift für Kristallographie","1999","214","5","255","258","10.1524/zkri.1999.214.5.255","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","203338","2020-10-21","18:00:00","" "6000419","10.6373","","10.6373","","4.1724","","90","","90","","120","","408.86","","","","","","","","","","","","","3","P -6","","","","","","- Ba7 Cl2 F12 -","","","","","","Es-Sakhi, B.; Gravereau, P.; Fouassier, C.","Ab initio determination and Rietveld refinement of the crystal structure of Ba7Cl2F12","Powder Diffraction","1998","13","","152","156","10.1017/S0885715600010009","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "7001587","9.3139","0.0006","9.3139","0.0006","13.3133","0.0009","90","","90","","120","","1000.18","0.11","100","2","100","2","","","","","","","","6","P -6","P -6","174","","","","- C38 H30 Cl2 Cu3 N6 O14 -","- C38 H30 Cl2 Cu3 N6 O14 -","- C38 H30 Cl2 Cu3 N6 O14 -","1","0.166667","","Kanoo, Prakash; Madhu, C.; Mostafa, Golam; Maji, Tapas Kumar; Sundaresan, A.; Pati, Swapan K.; Rao, C. N. R.","A planar Cu2+ (S = 1/2) kagomé network pillared by 1,2-bis(4-pyridyl) ethane with interesting magnetic properties","Dalton Transactions","2009","","26","5062","5064","10.1039/b905229a","","","0.71073","MoKα","","0.0508","0.0437","","","0.1073","0.1127","","","","","","1.075","","","","has coordinates","179713","2020-10-21","18:00:00","" "7001820","7.923","0.0005","7.923","0.0005","13.4371","0.0011","90","","90","","120","","730.49","0.09","150","2","150","2","","","","","","","","5","P -6","P -6","174","","","","- C21 H45 Cl3 N8 O3 -","- C21 H45 Cl3 N8 O3 -","- C21 H45 Cl3 N8 O3 -","1","0.166667","","Chin, Aileen; Edgar, Mark; Harding, Charles J; McKee, Vickie; Nelson, Jane","A novel trisprotonated β-dialdiminate cryptand","Dalton Transactions","2009","","32","6315","6326","10.1039/b821237f","","","0.71073","MoKα","","0.0284","0.0257","","","0.0665","0.0689","","","","","","1.076","","","","has coordinates","179716","2020-10-21","18:00:00","" "7003518","8.354","0.002","8.354","0.002","8.629","0.002","90","","90","","120","","521.5","0.2","120","2","120","2","","","","","","","","4","P -6","P -6","174","Dichloridotriethylarsenic(V)","Dichloridotriethylarsenic(V)","","- C6 H15 As Cl2 -","- C6 H15 As Cl2 -","- C12 H30 As2 Cl4 -","2","0.333333","","Davis, Martin F.; Levason, William; Reid, Gillian; Webster, Michael","Complexes of germanium(iv) fluoride with phosphane ligands: structural and spectroscopic authentication of germanium(iv) phosphane complexes","Dalton Transactions","2008","","17","2261","2269","10.1039/b716765b","","","0.71073","MoKα","","0.0438","0.0337","","","0.0884","0.0934","","","","","","1.018","","","","has coordinates","179739","2020-10-21","18:00:00","" "7042216","14.9021","0.0003","14.9021","0.0003","23.59","0.0006","90","","90","","120","","4536.84","0.17","180","2","180","2","","","","","","","","5","P -6","P -6","174","","","","- C69 H87 Eu O30 Ti6 -","- C69 H86.25 Eu O30 Ti6 -","- C138 H172.5 Eu2 O60 Ti12 -","2","0.333333","","Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.","Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4287","4295","10.1039/c7dt00049a","","","1.54178","CuKα","","0.0514","0.05","","","0.1546","0.1555","","","","","","1.14","","","","has coordinates,has disorder","195072","2020-10-21","18:00:00","" "7042217","14.8834","0.0004","14.8834","0.0004","23.59","0.0008","90","","90","","120","","4525.5","0.2","180","2","180","2","","","","","","","","5","P -6","P -6","174","","","","- C69 H87 Ho O30 Ti6 -","- C69 H86.25 Ho O30 Ti6 -","- C138 H172.5 Ho2 O60 Ti12 -","2","0.333333","","Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.","Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4287","4295","10.1039/c7dt00049a","","","1.54178","CuKα","","0.0692","0.0655","","","0.185","0.1914","","","","","","1.104","","","","has coordinates,has disorder","195072","2020-10-21","18:00:00","" "7042218","15.034","0.0003","15.034","0.0003","23.8089","0.0006","90","","90","","120","","4660.36","0.18","180","2","180","2","","","","","","","","5","P -6","P -6","174","","","","- C69 H87 Er O30 Ti6 -","- C69 H86.25 Er O30 Ti6 -","- C138 H172.5 Er2 O60 Ti12 -","2","0.333333","","Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.","Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4287","4295","10.1039/c7dt00049a","","","1.54178","CuKα","","0.0556","0.052","","","0.154","0.1576","","","","","","1.113","","","","has coordinates,has disorder","195072","2020-10-21","18:00:00","" "7042219","14.9065","0.0003","14.9065","0.0003","23.6229","0.0006","90","","90","","120","","4545.85","0.17","180","2","180","2","","","","","","","","5","P -6","P -6","174","","","","- C69 H87 Dy O30 Ti6 -","- C69 H86.25 Dy O30 Ti6 -","- C138 H172.5 Dy2 O60 Ti12 -","2","0.333333","","Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.","Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4287","4295","10.1039/c7dt00049a","","","1.54178","CuKα","","0.0589","0.055","","","0.1594","0.1647","","","","","","1.113","","","","has coordinates,has disorder","195072","2020-10-21","18:00:00","" "7042220","15.028","0.0004","15.028","0.0004","23.6224","0.0009","90","","90","","120","","4620.2","0.2","180","2","180","2","","","","","","","","5","P -6","P -6","174","","","","- C69 H87 Ce O30 Ti6 -","- C69 H87 Ce O30 Ti6 -","- C138 H174 Ce2 O60 Ti12 -","2","0.333333","","Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.","Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4287","4295","10.1039/c7dt00049a","","","1.54178","CuKα","","0.0711","0.0688","","","0.1884","0.191","","","","","","1.062","","","","has coordinates,has disorder","195072","2020-10-21","18:00:00","" "7042221","14.9365","0.0003","14.9365","0.0003","23.6008","0.0006","90","","90","","120","","4559.9","0.17","180","2","180","2","","","","","","","","5","P -6","P -6","174","","","","- C69 H87 O30 Tb Ti6 -","- C69 H86.25 O30 Tb Ti6 -","- C138 H172.5 O60 Tb2 Ti12 -","2","0.333333","","Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.","Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4287","4295","10.1039/c7dt00049a","","","1.54184","CuKα","","0.0707","0.0684","","","0.192","0.1949","","","","","","1.101","","","","has coordinates,has disorder","195072","2020-10-21","18:00:00","" "7042222","14.9683","0.0004","14.9683","0.0004","23.6974","0.0009","90","","90","","120","","4598.1","0.2","180","2","180","2","","","","","","","","5","P -6","P -6","174","","","","- C69 H87 O30 Sm Ti6 -","- C69 H86.25 O30 Sm Ti6 -","- C138 H172.5 O60 Sm2 Ti12 -","2","0.333333","","Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.","Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4287","4295","10.1039/c7dt00049a","","","1.54178","CuKα","","0.0398","0.0377","","","0.1","0.1018","","","","","","1.126","","","","has coordinates,has disorder","195072","2020-10-21","18:00:00","" "7042224","14.9227","0.0004","14.9227","0.0004","23.5803","0.0008","90","","90","","120","","4547.5","0.2","180","2","180","2","","","","","","","","5","P -6","P -6","174","","","","- C69 H87 Gd O30 Ti6 -","- C69 H86.25 Gd O30 Ti6 -","- C138 H172.5 Gd2 O60 Ti12 -","2","0.333333","","Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.","Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4287","4295","10.1039/c7dt00049a","","","1.54178","CuKα","","0.0728","0.0698","","","0.1918","0.1961","","","","","","1.126","","","","has coordinates,has disorder","195072","2020-10-21","18:00:00","" "7042225","14.9289","0.0004","14.9289","0.0004","23.5597","0.0007","90","","90","","120","","4547.3","0.2","180","2","180","2","","","","","","","","5","P -6","P -6","174","","","","- C69 H87 Nd O30 Ti6 -","- C69 H87 Nd O30 Ti6 -","- C138 H174 Nd2 O60 Ti12 -","2","0.333333","","Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.","Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4287","4295","10.1039/c7dt00049a","","","1.54178","CuKα","","0.0708","0.0603","","","0.1638","0.1729","","","","","","1.118","","","","has coordinates,has disorder","195072","2020-10-21","18:00:00","" "7042226","14.9478","0.0006","14.9478","0.0006","23.5581","0.0011","90","","90","","120","","4558.5","0.3","180","2","180","2","","","","","","","","5","P -6","P -6","174","","","","- C69 H87 O30 Pr Ti6 -","- C69 H87.63 O30 Pr Ti6 -","- C138 H175.26 O60 Pr2 Ti12 -","2","0.333333","","Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.","Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4287","4295","10.1039/c7dt00049a","","","1.54184","CuKα","","0.0879","0.0792","","","0.2114","0.2215","","","","","","1.132","","","","has coordinates,has disorder","195072","2020-10-21","18:00:00","" "7042227","15.0084","0.0004","15.0084","0.0004","23.5238","0.0007","90","","90","","120","","4588.9","0.2","180","2","180","2","","","","","","","","5","P -6","P -6","174","","","","- C69 H87 La O30 Ti6 -","- C69 H87 La O30 Ti6 -","- C138 H174 La2 O60 Ti12 -","2","0.333333","","Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.","Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4287","4295","10.1039/c7dt00049a","","","1.54178","CuKα","","0.0678","0.0667","","","0.1886","0.19","","","","","","1.154","","","","has coordinates,has disorder","195072","2020-10-21","18:00:00","" "7063147","9.7197","0.0007","9.7197","0.0007","13.8019","0.001","90","","90","","120","","1129.21","0.14","293","2","293","2","","","","","","","no","5","P -6","P -6","174","phosphate","'bismuth sodium phosphate '","","- Bi2.49 Cl Na2.51 O12 P3 -","- Bi2.495 Cl Na2.505 O12 P3 -","- Bi9.98 Cl4 Na10.02 O48 P12 -","4","0.666667","","Belokoneva, Elena L.; Volkov, Anatoly S.; Dimitrova, Olga V.; Stefanovich, Sergey Yu.; Govorko, Nadezhda B.","Hydrothermally synthesized first acentric apatite (Bi5Na5)[PO4]6Cl2 with wide Bi–Na isomorphism and doubled c-axis","New Journal of Chemistry","2024","48","17","7940","7945","10.1039/D4NJ00480A","","","0.71073","MoKα","","0.0494","0.0415","","","0.0804","0.0836","","","","","","1.066","","","","has coordinates","291670","2024-05-05","03:47:01","" "7131564","10.933","0.003","10.933","0.003","20.585","0.005","90","","90","","120","","2130.9","1","100","2","100","2","","","","","","","","9","P -6","P -6","174","","","","- C12 H36 As6 Au3 Cl N Na3 O27 Pt2 -","- C12 H36 As6 Au3 Cl N Na3 O27 Pt2 -","- C12 H36 As6 Au3 Cl N Na3 O27 Pt2 -","1","0.166667","","Zhang, Jiayao; Bhattacharya, Saurav; Müller, Anja B; Kiss, Levente; Silvestru, Cristian; Kuhnert, Nikolai; Kortz, Ulrich","Mixed noble metal-oxo clusters: platinum(IV)-gold(III) oxoanion [PtIV2AuIII3O6((CH3)2AsO2)6].","Chemical communications (Cambridge, England)","2023","59","39","5918","5921","10.1039/d3cc00243h","","","0.71073","MoKα","","0.0713","0.0606","","","0.1538","0.1632","","","","","","1.061","","","","has coordinates","284192","2023-06-05","03:42:33","" "7203484","21.3144","0.0005","21.3144","0.0005","17.3882","0.0008","90","","90","","120","","6841.2","0.4","150","","150","","","","","","","","","7","P -6","P -6","174","","","","- C28 H40 F9 La N3 O20.5 S3 -","- C28 H24 F9 La N3 O20.5 S3 -","- C168 H144 F54 La6 N18 O123 S18 -","6","1","","Masu, Hyuma; Tominaga, Masahide; Katagiri, Kosuke; Kato, Takako; Azumaya, Isao","2-D coordination network of a cyclic amide with a lanthanide metal cation and its columnar stacking","CrystEngComm","2006","8","8","578","","10.1039/b607370k","","","0.71073","MoKα","","0.0771","0.0439","","","0.096","0.1121","","","","","","1.027","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7212523","15.8818","0.0005","15.8818","0.0005","9.9176","0.0007","90","","90","","120","","2166.39","0.18","296","2","296","2","","","","","","","","5","P -6","P -6","174","","","","- C20 H20 In N O8 -","- C16.6667 H8 In N0.67 O8 -","- C50 H24 In3 N2.01 O24 -","3","0.5","","Bu, Fei; Xiao, Shou-Jun","A 4-connected anionic metal‒organic nanotube constructed from indium isophthalate","CrystEngComm","2010","12","11","3385","","10.1039/c001284j","","","0.71073","MoKα","","0.0579","0.0547","","","0.1512","0.1544","","","","","","1.116","","","","has coordinates","180456","2020-10-21","18:00:00","" "7222511","7.5363","","7.5363","","3.443","","90","","90","","120","","169.35","","","","","","","","","","","","","3","P -6","P -6","174","","Sc3 Ni2.14 In3.76","","- In3.76 Ni2.14 Sc3 -","- In3.761 Ni2.144 Sc3 -","- In3.761 Ni2.144 Sc3 -","1","0.166667","","Lukachuk, M.; Zaremba, V.I.; Hoffmann, R.D.; Poettgen, R.","Synthesis and structural relationship of the ternary indides Sc3 Ni2.10(5) In3.60(5), Sc3 Ni2.14(2) In3.76(2), Sc3 Rh1.594(9) In4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","182","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","161780","2020-10-21","18:00:00","" "7222512","7.457","","7.457","","3.4285","","90","","90","","120","","165.106","","","","","","","","","","","","","3","P -6","P -6","174","","Sc3 Ni2.1 In3.6","","- In3.6 Ni2.1 Sc3 -","- In3.59 Ni2.109 Sc3 -","- In3.59 Ni2.109 Sc3 -","1","0.166667","","Lukachuk, M.; Zaremba, V.I.; Hoffmann, R.D.; Poettgen, R.","Synthesis and structural relationship of the ternary indides Sc3 Ni2.10(5) In3.60(5), Sc3 Ni2.14(2) In3.76(2), Sc3 Rh1.594(9) In4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","182","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","161785","2020-10-21","18:00:00","" "7222514","7.694","","7.694","","6.841","","90","","90","","120","","350.715","","","","","","","","","","","","","3","P -6","P -6","174","","Sc Rh0.53 In1.33","","- In1.33 Rh0.53 Sc -","- In1.33333 Rh0.531167 Sc -","- In8 Rh3.187 Sc6 -","6","1","","Lukachuk, M.; Zaremba, V.I.; Hoffmann, R.D.; Poettgen, R.","Synthesis and structural relationship of the ternary indides Sc3 Ni2.10(5) In3.60(5), Sc3 Ni2.14(2) In3.76(2), Sc3 Rh1.594(9) In4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","182","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8100293","4.8879","0.0006","4.8879","0.0006","9.403","0.001","90","","90","","120","","194.54","0.03","296","","","","","","","","","","","5","P -6","P -6","174","","","","- Al B Ba F2 O3 -","- Al B Ba F2 O3 -","- Al2 B2 Ba2 F4 O6 -","2","0.333333","","Hu, Zhang-Gui; Maramatsu, Kenichi; Kanehisa, N.; Yoshimura, M.; Mori, Y.; Sasaki, T.; Kai, Y.","Reinvestigation of the crystal structure of barium aluminum borate difluoride, BaAlBO~3~F~2~, a new nonlinear optical material","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","1","1","2","10.1524/ncrs.2003.218.jg.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101626","9.074","0.003","9.074","0.003","3.592","0.004","90","","90","","120","","256.1","0.5","","","295","","","","","","","","","3","P -6","P -6","174","","","","- Ni12 P7 Sc2 -","- Ni12 P7 Sc2 -","- Ni12 P7 Sc2 -","1","0.166667","","Oryshchyn, S.; Babizhetsky, V.; Stojko, S.; Kuzma, Yu.","Crystal structure of discandium dodecanickel heptaphosphide, Sc~2~Ni~12~P~7~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","428","428","","","","","","","","0.0266","","","0.0309","","","","","","","","","","","has coordinates","191974","2020-10-21","18:00:00","" "8103518","8.12","","8.12","","3.05","","90","","90","","120","","174.158","","","","","","","","","","","","","4","P -6","P -6","174","","Li Na (C O3)","","- C Li Na O3 -","- C Li Na O3 -","- C3 Li3 Na3 O9 -","3","0.5","","Zhukov, S.G.; Yatsenko, A.V.; Schenk, H.; Chernyshev, V.V.; D'yakov, V.A.; le Loux, R.","X-ray high temperature powder diffraction study and computer simulation of gamma-(Li Na C O3)","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","255","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104107","9.386","","9.386","","3.701","","90","","90","","120","","282.365","","","","","","","","","","","","","3","P -6","P -6","174","","Li3.2 Ni10.8 As7","","- As7 Li3.2 Ni10.8 -","- As7 Li3.2 Ni10.8 -","- As7 Li3.2 Ni10.8 -","1","0.166667","","Welzl, C.; Schuster, H.U.","Neue ternaere Alkaliphosphide und -arsenide des Nickels","Zeitschrift fuer Kristallographie (149,1979-)","1991","196","","179","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","164207","2020-10-21","18:00:00","" "8104108","9.425","","9.425","","3.748","","90","","90","","120","","288.332","","","","","","","","","","","","","3","P -6","P -6","174","","Na2.3 Ni11.7 As7","","- As7 Na2.3 Ni11.7 -","- As7 Na2.3 Ni11.7 -","- As7 Na2.3 Ni11.7 -","1","0.166667","","Welzl, C.; Schuster, H.U.","Neue ternaere Alkaliphosphide und -arsenide des Nickels","Zeitschrift fuer Kristallographie (149,1979-)","1991","196","","179","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","164210","2020-10-21","18:00:00","" "8104516","9.429","","9.429","","3.7433","","90","","90","","120","","288.215","","","","","","","","","","","","","3","P -6","P -6","174","","K2 Ni12 As7","","- As7 K2 Ni12 -","- As7 K2 Ni12 -","- As7 K2 Ni12 -","1","0.166667","","Somer, M.; Hartweg, M.; Peters, K.; von Schnering, H.G.","Crystal structure of potassium arsenidoniccolate","Zeitschrift fuer Kristallographie (149,1979-)","1991","195","","99","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","174324","2020-10-21","18:00:00","" "9001703","8.773","","8.773","","10.746","","90","","90","","120","","716.265","","","","","","","","","","","","","7","P -6","P -6","174","","","Reederite-(Y)","- C9 Cl F Na15 O30 S Y2 -","- C9 Cl F Na15 O30 S Y2 -","- C9 Cl F Na15 O30 S Y2 -","1","0.166667","","Grice, J. D.; Gault, R. A.; Chao, G. Y.","Reederite -(Y), a new sodium rare-earth mineral with a unique fluorosulfate anion","American Mineralogist","1995","80","","1059","1064","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42","" "9001782","10.267","","10.267","","3.9844","","90","","90","","120","","363.731","","","","","","","","","","","","","3","P -6","P -6","174","","","Laurelite","- Cl F6 Pb7 -","- Cl F6 Pb7 -","- Cl2 F12 Pb14 -","2","0.333333","","Merlino, S.; Pasero, M.; Perchiazzi, N.; Kampf, A. R.","Laurelite: Its crystal structure and relationship to alpha-PbF2","American Mineralogist","1996","81","","1277","1281","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42","" "9002723","9.4434","","9.4434","","6.8855","","90","","90","","120","","531.769","","","","","","","","","","","","","5","P -6","P -6","174","","","Cesanite","- Ca1.555 H0.56 Na3.445 O12.56 S3 -","- Ca1.555 H0.56 Na3.445 O12.56 S3 -","- Ca3.11 H1.12 Na6.89 O25.12 S6 -","2","0.333333","","Piotrowski, A.; Kahlenberg, V.; Fischer, R. X.; Lee, Y.; Parise, J. B.","The crystal structures of cesanite and its synthetic analogue - A comparison Sample: synthetic","American Mineralogist","2002","87","","715","720","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36","" "9002724","9.463","","9.463","","6.9088","","90","","90","","120","","535.785","","","","","","","","","","","","","5","P -6","P -6","174","","","Cesanite","- Ca2.98 H1.77 Na7.02 O25.77 S6 -","- Ca2.98 H1.77 Na7.02 O25.77 S6 -","- Ca2.98 H1.77 Na7.02 O25.77 S6 -","1","0.166667","","Piotrowski, A.; Kahlenberg, V.; Fischer, R. X.; Lee, Y.; Parise, J. B.","The crystal structures of cesanite and its synthetic analogue - A comparison Sample: natural","American Mineralogist","2002","87","","715","720","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36","" "9004436","12.87","","12.87","","16.096","","90","","90","","120","","2308.9","","","","","","","","","","","","","8","P -6","P -6","174","","","Liottite","- Al18 Ca6 Cl3.5 F0.501 K33 O92 S5.002 Si18 -","- Al18 Ca6 Cl3.5 F0.501 K33 O72 Os20 S5.00199 Si18 -","- Al18 Ca6 Cl3.5 F0.501 K33 O72 Os20 S5.00199 Si18 -","1","0.166667","","Ballirano, P.; Merlino, S.; Bonaccorsi, E.; Maras, A.","The crystal structure of liottite, a six-layer member of the cancrinite group","The Canadian Mineralogist","1996","34","","1021","1030","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41","" "9008987","3.142","","3.142","","7.65","","90","","90","","120","","65.404","","","","","","","","","","","","","2","P -6","P -6","174","","","","- Li2 O2 -","- Li2 O2 -","- Li4 O4 -","2","0.333333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Lithium peroxide","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29","" "9009466","9.85","","9.85","","10.13","","90","","90","","120","","851.163","","","","","","","","","","","","","5","P -6","P -6","174","","","Ganomalite","- Ca5 Mn O33 Pb9 Si9 -","- Ca5 Mn O33 Pb9 Si9 -","- Ca5 Mn O33 Pb9 Si9 -","1","0.166667","","Dunn, P. J.; Peacor, D. R.; Valley, J. W.; Randall, C. A.","Ganomalite from Franklin, New Jersey, and Jakobsberg, Sweden: New chemical and crystallographic data Note: structure from ICSD","Mineralogical Magazine","1985","49","","579","582","10.1180/minmag.1985.049.353.12","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31","" "9009499","11.393","","11.393","","4.024","","90","","90","","120","","452.34","","","","","","","","","","","","Etruscan iron slag, Baratti beach, Piombiono, Tuscany, Italy","4","P -6","P -6","174","","","Penfieldite","- Cl3 H O Pb2 -","- Cl3 H O Pb2 -","- Cl9 H3 O3 Pb6 -","3","0.5","","Merlino, S.; Pasero, M.; Perchiazzi, N.; Gianfagna, A.","X-ray and electron diffraction study of penfieldite: average structure and multiple cells","Mineralogical Magazine","1995","59","","341","347","10.1180/minmag.1995.059.395.17","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47","" "9010436","12.4112","","12.4112","","9.8511","","90","","90","","120","","1314.14","","","","","","","","","","","","","8","P -6","P -6","174","","","Hydroxyl-bastnasite-(Ce)","- C H0.65 Ce0.5 F0.35 La0.23 Nd0.24 O3.65 Y0.03 -","- C H0.65 Ce0.5 F0.35 La0.23 Nd0.24 O3.65 Y0.03 -","- C18 H11.7 Ce9 F6.3 La4.14 Nd4.32 O65.7 Y0.54 -","18","3","","Yang, H.; Dembowski, R. F.; Conrad, P. G.; Downs, R. T.","Crystal structure and Raman spectrum of hydroxyl-bastnasite-(Ce), CeCO3(OH) Note: changed Ce3(z) to .2579 according to authors Locality: Trimouns, Luzenac, France","American Mineralogist","2008","93","","698","701","10.2138/am.2008.2827","","","","","","","","","","","","","","","","","","","","","has coordinates","287548","2023-11-11","13:26:52","" "9012548","12.32","","12.32","","9.88","","90","","90","","120","","1298.7","","","","","","","","","","","","","4","P -6","P -6","174","","","Hydroxyl-bastnasite-(Nd)","- C H Nd O4 -","- C H Nd O4 -","- C18 H18 Nd18 O72 -","18","3","","Christensen, N.","Hydrothermal preparation of rare earth hydroxycarbonates. The crystal structure of NdOHCO3","Acta Chemica Scandinavica","1973","27","","2973","2982","10.3891/acta.chem.scand.27-2973","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49","" "9014905","10.267","","10.267","","3.9844","","90","","90","","120","","363.731","","","","","","","","","","","","","3","P -6","P -6","174","","","Laurelite","- Cl F6 Pb3.5 -","- Cl2 F12 Pb7 -","- Cl2 F12 Pb7 -","","","","Merlino, S.; Pasero, M.; Perchiazzi, N.; Kampf, A. R.","Laurelite: Its crystal structure and relationship to alpha-PbF2","American Mineralogist","1996","81","","1277","1281","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015199","10.267","","10.267","","3.9844","","90","","90","","120","","363.731","","","","","","","","","","","","","3","P -6","P -6","174","","","Laurelite","- Cl2 F12 Pb7 -","- Cl2 F12 Pb7 -","- Cl2 F12 Pb7 -","","","","Merlino, S.; Pasero, M.; Perchiazzi, N.; Kampf, A. R.","Laurelite: Its crystal structure and relationship to alpha-PbF2 Note: Re-examination of the crystal by H Yang and A Kampf showed that it was twinned, and the partially occupied sites were relicts.","American Mineralogist","1996","81","","1277","1281","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9017890","13.454","","13.454","","8.459","","90","","90","","120","","1326.03","","","","","","","","","","","","May Day mine, La Plata District, Colorado, USA","2","P -6","P -6","174","","","Stutzite","- Ag10.96 Te7 -","- Ag32.88 Te21 -","- Ag32.88 Te21 -","","","","Bindi, L.; Keutsch, F. N.","Old defined minerals with complex, still unresolved structures: the case of stutzite, Ag5-xTe3 Note: type sample","Zeitschrift fur Kristallographie","2018","233","","247","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:28",""