# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-13T21:20:40+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 63' 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
"1001683","14.4671","0.0011","14.4671","0.0011","7.4605","0.0002","90","","90","","120","","1352.3","","","","","","","","","","","","","4","P 63","P 6c","173","","Trivanadium(III) silicopentaphosphate","","- O19 P5 Si V3 -","- O19 P5 Si V3 -","- O76 P20 Si4 V12 -","4","0.666667","","Leclaire, A; Chahboun, H; Groult, D; Raveau, B","V3 P5 Si O19, a vanadosilicophospahte built up from V2 O9 octahedra clusters","Journal of Solid State Chemistry","1986","65","","168","177","10.1016/0022-4596(86)90051-4","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004012","10.2935","0.0016","10.2935","0.0016","5.8619","0.0013","90","","90","","120","","537.89","0.17","296","2","296","2","","","","","","","","4","P 63","P 6c","173","La3CuGeS7","lanthanum copper germanium sulfide","","- Cu Ge La3 S7 -","- Cu Ge La3 S7 -","- Cu2 Ge2 La6 S14 -","2","0.333333","","Poduska, K. M.; DiSalvo, F. J.; Min, K.; Halasyamani, P. S.","Structure determination of La~3~CuGeS~7~ and La~3~CuGeSe~7~","Journal of Alloys and Compounds","2002","335","","L5","L9","10.1016/S0925-8388(01)01835-7","","","0.71073","MoKα","","0.0477","0.0447","","","0.0949","0.0957","","","","","","1.365","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1005055","10.367","0.001","10.367","0.001","5.814","0.001","90","","90","","120","","541.1","","","","","","","","","","","","","4","P 63","P 6c","173","","Hexalanthanum magnesium digermanium sulfide","","- Ge2 La6 Mg S14 -","- Ge2 La6 Mg S14 -","- Ge2 La6 Mg S14 -","1","0.166667","","Gitzendanner, R L; Spencer, C M; DiSalvo, F J; Pell, M A; Ibers, J A","Synthesis and structure of a new quaternary rare-earth sulfide, La6 Mg Ge2 S14, and the related compound La6 Mg Si2 S14","Journal of Solid State Chemistry","1997","131","","399","404","10.1006/jssc.1997.7421","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005056","10.363","0.002","10.363","0.002","5.742","0.001","90","","90","","120","","534","","","","","","","","","","","","","4","P 63","P 6c","173","","Hexalanthanum magnesium disilicon sulfide","","- La6 Mg S14 Si2 -","- La6 Mg S14 Si2 -","- La6 Mg S14 Si2 -","1","0.166667","","Gitzendanner, R L; Spencer, C M; DiSalvo, F J; Pell, M A; Ibers, J A","Synthesis and structure of a new quaternary rare-earth sulfide, La6 Mg Ge2 S14, and the related compound La6 Mg Si2 S14","Journal of Solid State Chemistry","1997","131","","399","404","10.1006/jssc.1997.7421","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007038","5.908","0.003","5.908","0.003","15.09","0.01","90","","90","","120","","456.1","","","","","","","","","","","","","5","P 63","P 6c","173","","Tellurium(VI) hydroxide (disodium hydrogenphosphate) hydrate","","- H9 Na2 O11 P Te -","- H14 Na2 O11 P Te -","- H28 Na4 O22 P2 Te2 -","2","0.333333","","Durif, A; Averbuch-Pouchot, M T; Guitel, J C","Structures de deux phosphotellurates. Te (O H)~6~ ((N H~4~)~2~ H P O~4~)~2~ et Te (O H)~6~ (Na~2~ H P O~4~) (H~2~ O)","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1444","1447","10.1107/S056774087900666X","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008710","15.904","0.007","15.904","0.007","16.67","0.02","90","","90","","120","","3651.6","","","","","","","","","","","","","5","P 63","P 6c","173","","Dodecaguanidinium cyclo-dodecaphosphate hexahydrate","","- C12 H84 N36 O42 P12 -","- C12 H84 N36 O42 P12 -","- C24 H168 N72 O84 P24 -","2","0.333333","","Schuelke, U; Averbuch-Pouchot, M T","Preparation and crystal structure of guanidinium cyclododecaphosphate hexahydrate: (C (N H2)3)12 P12 O36 . 6(H2 O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1232","1236","10.1002/zaac.19956210721","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1008753","10.01","","10.01","","8.405","","90","","90","","120","","729.4","","","","","","","","","","","","","5","P 63","P 6c","173","","Potassium trisodium tetraaluminium silicate","Nepheline","- Al4 K Na3 O16 Si4 -","- Al4 K Na3 O16 Si4 -","- Al8 K2 Na6 O32 Si8 -","2","0.333333","","Buerger, M J; Klein, G E; Donnay, G","Determination of the crystal structure of nepheline","American Mineralogist","1954","39","","805","818","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008754","10.05","","10.05","","8.38","","90","","90","","120","","733","","","","","","","","","","","","","5","P 63","P 6c","173","","Potassium trisodium tetraalumotetrasilicate","Nepheline","- Al4 K Na3 O16 Si4 -","- Al4 K Na3 O16 Si4 -","- Al8 K2 Na6 O32 Si8 -","2","0.333333","","Buerger, M J; Klein, G E; Hamburger, G","The structure of nepheline","American Mineralogist","1947","32","","197","197","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008761","10.05","","10.05","","8.38","","90","","90","","120","","733","","","","","","","","","","","","","4","P 63","P 6c","173","","Sodium aluminium silicate","Nepheline","- Al Na O4 Si -","- Al Na O4 Si -","- Al8 Na8 O32 Si8 -","8","1.33333","","Buerger, M J; Klein, G E; Hamburger, G","Structure of Nepheline","Geological Society of America, Bulletin","1946","57","","1182","1183","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010549","12.72","","12.72","","5.18","","90","","90","","120","","725.8","","","","","","","","","","","","from Dodo, Korea","6","P 63","P 6c","173","","Trisodium calcium trialuminium tris(silicate) carbonate","Cancrinite","- C Al3 Ca Na3 O15 Si3 -","- C6 Al6 Ca6 Na12 O30 Si6 -","- C6 Al6 Ca6 Na12 O30 Si6 -","1","0.166667","","Kôzu, Shukusuké; Takané, Katsutoshi","Crystal structure of Cancrinite from Dôdô, Korea, II","Proceedings of the Imperial Academy (Tokyo)","1933","9","3","105","108","10.2183/pjab1912.9.105","","","","","","","","","","","","","","","","","","","","","has coordinates","209441","2020-10-21","18:00:00",""
"1011053","3.095","","3.095","","15.17","","90","","90","","120","","125.8","","","","","","","","","","","","","2","P 63","P 6c","173","","Silicon carbide - II.","Moissanite 6H","- C Si -","- C Si -","- C6 Si6 -","6","1","","Ott, H","Die Gitterstruktur des Karborunds ( Si C ) I.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1925","61","","515","531","","","","","","","","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1100062","5.4632","0.0002","5.4632","0.0002","5.0859","0.0006","90","","90","","120","","131.5","","","","","","","","","","","","","4","P 63","P 6c","173","","Lithium Iron Iodate (1/0.3333/2/6)","","- Fe0.333 I2 Li O6 -","- Fe0.3334 I2 Li O6 -","- Fe0.3334 I2 Li O6 -","1","0.166667","","Lan, Y; Chen, X; Tao, Z; Xie, A; Jiang, P; Xu, T; Xu, Y","X-ray powder diffraction data and Rietveld refinement for a new iodate: (LiFe~1/3~)(IO~3~)~2~","Power Diffraction","2002","17","","132","134","10.1154/1.1460872","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101055","27.864","0.003","27.864","0.003","12.983","0.0017","90","","90","","120","","8729.7","1.6","293","2","293","2","","","","","","","","3","P 63","P 6c","173","triptycenehydroquinone (TPHQ)","","","- C20 H14 O2 -","- C20 H14 O2 -","- C480 H336 O48 -","24","4","","Yamamura, Kimiaki; Kawashima Taiga; Eda, Kazuo; Tajima, Fukue; Hashimoto, Masao","Solid solution of triptycenequinone and triptycenehydroquinone as a non-stoichiometric quinhydrone. Bathochromic changes in color caused by local intermolecular interaction between p-benzoquinone and hydroquinone moieties","Journal of Molecular Structure","2005","737","1","1","6","10.1016/j.molstruc.2004.10.002","","","0.71073","MoKα","","0.2565","0.1194","","","0.2649","0.3423","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1501943","17.959","0.002","17.959","0.002","7.9998","0.0005","90","","90","","120","","2234.5","0.4","150","1","150","1","","","","","","","","2","P 63","P 6c","173","","","","- C20 H20 -","- C20 H20 -","- C120 H120 -","6","1","","Krämer, Katja; Leong, Paul; Lautens, Mark","Enantioselective palladium-catalyzed carbozincation of cyclopropenes.","Organic letters","2011","13","4","819","821","10.1021/ol1029904","","","0.71073","MoKα","","0.1498","0.0722","","","0.1556","0.1929","","","","","","1.093","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503374","15.923","0.002","15.923","0.002","18.741","0.003","90","","90","","120","","4115","1","288","2","288","2","","","","","","","","6","P 63","P 6c","173","toste06","toste06","","- C93 H81 Au Cl O9 P -","- C93 H81 Au Cl O9 P -","- C186 H162 Au2 Cl2 O18 P2 -","2","0.333333","","González, Ana Z; Toste, F. Dean","Gold(I)-catalyzed enantioselective [4 + 2]-cycloaddition of allene-dienes.","Organic letters","2010","12","1","200","203","10.1021/ol902622b","","","0.71073","MoKα","","0.0703","0.0498","","","0.1447","0.1626","","","","","","1.033","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1504395","5.8868","0.0016","5.8868","0.0016","6.6541","0.0009","90","","90","","120","","199.7","0.08","295","2","295","2","","","","","","","","3","P 63","P 6c","173","chloroform","trichloromethane","","- C H Cl3 -","- C H Cl3 -","- C2 H2 Cl6 -","2","0.333333","","Dziubek, Kamil F.; Katrusiak, Andrzej","Polar symmetry in new high-pressure phases of chloroform and bromoform.","The journal of physical chemistry. B","2008","112","38","12001","12009","10.1021/jp8020134","","x-ray","0.71073","MoKα","","0.0346","0.0295","","","0.0759","0.0804","","","","","","0.813","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504396","6.3229","0.0015","6.3229","0.0015","7.285","0.014","90","","90","","120","","252.2","0.5","293","2","295","2","","","","","","","","3","P 63","P 6c","173","bromoform","tribromomethane","","- C H Br3 -","- C H Br3 -","- C2 H2 Br6 -","2","0.333333","","Dziubek, Kamil F.; Katrusiak, Andrzej","Polar symmetry in new high-pressure phases of chloroform and bromoform.","The journal of physical chemistry. B","2008","112","38","12001","12009","10.1021/jp8020134","","x-ray","0.71073","MoKα","","0.0611","0.0407","","","0.1051","0.1156","","","","","","0.907","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504397","6.3119","0.0012","6.3119","0.0012","7.151","0.016","90","","90","","120","","246.7","0.6","293","2","295","2","","","","","","","","3","P 63","P 6c","173","bromoform","tribromomethane","","- C H Br3 -","- C H Br3 -","- C2 H2 Br6 -","2","0.333333","","Dziubek, Kamil F.; Katrusiak, Andrzej","Polar symmetry in new high-pressure phases of chloroform and bromoform.","The journal of physical chemistry. B","2008","112","38","12001","12009","10.1021/jp8020134","","x-ray","0.71073","MoKα","","0.0304","0.0253","","","0.0722","0.0761","","","","","","0.764","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505482","15.2265","0.001","15.2265","0.001","18.1119","0.0012","90","","90","","120","","3636.6","0.4","143","1","143","1","","","","","","","","5","P 63","P 6c","173","","","","- C84 H84 La Na3 O12 -","- C84 H84 La Na3 O12 -","- C168 H168 La2 Na6 O24 -","2","0.333333","","Wooten, Alfred J.; Carroll, Patrick J.; Walsh, Patrick J.","Impact of Na- and K-C pi-interactions on the structure and binding of M3(sol)n(BINOLate)3Ln catalysts.","Organic letters","2007","9","17","3359","3362","10.1021/ol0713234","","","0.71069","MoKα","","0.032","0.0292","","","0.0745","0.0776","","","","","","1.082","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505483","15.152","0.009","15.152","0.009","18.2","0.02","90","","90","","120","","3619","5","143","1","143","1","","","","","","","","5","P 63","P 6c","173","","","","- C84 H84 Eu Na3 O12 -","- C84 H84 Eu Na3 O12 -","- C168 H168 Eu2 Na6 O24 -","2","0.333333","","Wooten, Alfred J.; Carroll, Patrick J.; Walsh, Patrick J.","Impact of Na- and K-C pi-interactions on the structure and binding of M3(sol)n(BINOLate)3Ln catalysts.","Organic letters","2007","9","17","3359","3362","10.1021/ol0713234","","","0.71069","MoKα","","0.0444","0.0397","","","0.1085","0.111","","","","","","1.143","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505890","16.645","0.002","16.645","0.002","9.0395","0.0018","90","","90","","120","","2168.9","0.6","293","2","293","2","","","","","","","synthesis","5","P 63","P 6c","173","tisphosphoramide 1d","","","- C51 H54 N3 O4 P -","- C51 H54 N3 O4 P -","- C102 H108 N6 O8 P2 -","2","0.333333","","Du, Da-Ming; Fang, Tao; Xu, Jiaxi; Zhang, Shi-Wei","Structurally well-defined, recoverable C3-symmetric tris(beta-hydroxy phosphoramide)-catalyzed enantioselective borane reduction of ketones.","Organic letters","2006","8","7","1327","1330","10.1021/ol0600584","","x-ray","0.71073","MoKα","","0.045","0.0305","","","0.062","0.0645","","","","","","0.798","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509010","10.2898","","10.2898","","5.7334","","90","","90","","120","","525.723","","","","","","","","","","","","","5","P 63","P 6c","173","","Silver cerium sulfide chloride thiosilicate (0.63/3/2.63/0.37/1)","","- Ag0.627 Ce3 Cl0.37 S6.63 Si -","- Ag0.627 Ce3 Cl0.369 S6.6279 Si0.9999 -","- Ag1.254 Ce6 Cl0.738 S13.2558 Si1.9998 -","2","0.333333","","Schleid, T.; Hartenbach, I.; Nilges, T.","Thiosilicates of the rare-earth elements. IV. The quasi-isostructural compounds Na Sm3 S3 [Si S4], Cu Ce3 S3 [Si S4], Ag0.63 Ce3 S2.63 Cl0.37 [Si S4] and Sm3 S2 Cl [Si S4] - synthesis, crystal structure and investigations of the silver-cation motion","Zeitschrift fuer Anorganische und Allgemeine Chemie","2007","633","","2445","2452","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509439","10.576","","10.576","","5.987","","90","","90","","120","","579.94","","","","","","","","","","","","","4","P 63","P 6c","173","","La3 Ag Se7 Si","","- Ag La3 Se7 Si -","- Ag La3 Se7 Si -","- Ag2 La6 Se14 Si2 -","2","0.333333","","Lin, S.-H.; Huang, J.-S.; Guo, G.-C.; Mao, J.-G.","Synthesis and crystal structure of a new quaternary compound: La3 Ag Se7 Si","Journal of Alloys Compd.","1997","252","","8","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509499","10.218","","10.218","","7.848","","90","","90","","120","","709.613","","","","","","","","","","","","","4","P 63","P 6c","173","","Ag (Zn P O4)","","- Ag O4 P Zn -","- Ag O3.99998 P Zn -","- Ag8 O31.9998 P8 Zn8 -","8","1.33333","","Barbier, J.; Hammond, R.P.; Gallardo, C.","Crystal structures and crystal chemistry of Ag X P O4 (X= Be, Zn)","Journal of Solid State Chemistry","1998","141","","177","185","10.1006/jssc.1998.7942","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509625","18.955","","18.955","","4.406","","90","","90","","120","","1370.95","","","","","","","","","","","","","3","P 63","P 6c","173","","K2 Ag12 Se7.11","","- Ag12 K2 Se7.11 -","- Ag12 K2 Se7.11107 -","- Ag36 K6 Se21.3332 -","3","0.5","","Emirdag, M.; Pennington, W.T.; Kolis, J.W.; Schimek, G.L.","Synthesis of two new metallic alkali metal silver selenides, K2 Ag12 Se7.11 and Rb Ag5 Se3, from supercritical ethylenediamine","Journal of Solid State Chemistry","1999","144","","287","296","10.1006/jssc.1999.8130","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511212","8.869","","8.869","","5.447","","90","","90","","120","","371.054","","","","","","","","","","","","","4","P 63","P 6c","173","","La3 (B W O9)","","- B La3 O9 W -","- B La3 O9 W -","- B2 La6 O18 W2 -","2","0.333333","","Gokhman, L.Z.; Dzhurinskii, B.F.; Efremov, V.A.; Ilyukhin, A.B.; Chistova, V.I.","Synthesis and structure of boratotungstates Ln3BWO9 (Ln=La,Pr,Nd,Sm-Ho)","Zhurnal Neorganicheskoi Khimii","1994","39","","1075","1079","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511248","8.035","","8.035","","7.703","","90","","90","","120","","430.688","","","","","","","","","","","","","4","P 63","P 6c","173","","Na B Si O4","","- B Na O4 Si -","- B Na O4 Si -","- B6 Na6 O24 Si6 -","6","1","","Sokolova, E.V.; Khomyakov, A.P.","Crystal structure of a new natural Na-borosilicate with the framework of tridymite type.","Doklady Akademii Nauk SSSR","1991","319","","879","883","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514505","19.437","0.0002","19.437","0.0002","18.1371","0.0002","90","","90","","120","","5934.13","0.11","173","","173","","","","","","","","","7","P 63","P 6c","173","","","","- C42 H44 F6 Ir N2 O2 P2 -","- C42 H44 F6 Ir N2 O2 P2 -","- C252 H264 F36 Ir6 N12 O12 P12 -","6","1","","Schramm, York; Barrios-Landeros, Fabiola; Pfaltz, Andreas","Discovery of an iridacycle catalyst with improved reactivity and enantioselectivity in the hydrogenation of dialkyl ketimines","Chemical Science","2013","4","7","2760","","10.1039/c3sc50587a","","","0.71073","MoKα","","0.0497","0.0216","","0.0234","0.0196","0.0196","","","","","","0.7012","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514971","17.3366","0.0004","17.3366","0.0004","18.9739","0.0003","90","","90","","120","","4938.73","0.18","294.15","","294.15","","","","","","","","","7","P 63","P 6c","173","","","","- C90 H84 Ag3 B3 F12 N18 O6 -","- C90 H84 Ag3 B3 F12 N18 O6 -","- C180 H168 Ag6 B6 F24 N36 O12 -","2","0.333333","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0522","0.035","","","0.1043","0.1095","","","","","","1.043","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1514972","17.3399","0.0003","17.3399","0.0003","18.6738","0.0003","90","","90","","120","","4862.47","0.14","567.3","","567.3","","","","","","","","","7","P 63","P 6c","173","","","","- C90 H84 Ag3 B3 F12 N18 O6 -","- C90 H84 Ag3 B3 F12 N18 O6 -","- C180 H168 Ag6 B6 F24 N36 O12 -","2","0.333333","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0476","0.0363","","","0.112","0.1156","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514973","17.2761","0.0002","17.2761","0.0002","18.7097","0.0002","90","","90","","120","","4836.03","0.09","150","","150","","","","","","","","","5","P 63","P 6c","173","","","","- C90 H84 Ag3 N18 O6 -","- C90 H84 Ag3 N18 O6 -","- C180 H168 Ag6 N36 O12 -","2","0.333333","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0462","0.0409","","","0.1165","0.1202","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514974","17.4164","0.0004","17.4164","0.0004","18.8187","0.0004","90","","90","","120","","4943.53","0.19","294.15","","294.15","","","","","","","","","7","P 63","P 6c","173","","","","- C90 H84 Au3 B3 F12 N18 O6 -","- C90 H84 Au3 B3 F12 N18 O6 -","- C180 H168 Au6 B6 F24 N36 O12 -","2","0.333333","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0556","0.0363","","","0.0963","0.1002","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515606","29.3467","0.0005","29.3467","0.0005","14.9405","0.0004","90","","90","","120","","11143.3","0.4","180","2","180","2","","","","","","","","6","P 63","P 6c","173","","","","- C37 H113 B4 N9 O Si12 -","- C37 H113 B4 N9 O Si12 -","- C222 H678 B24 N54 O6 Si72 -","6","1","","Hansmann, Max M.; Melen, Rebecca L.; Wright, Dominic S.","Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity","Chemical Science","2011","2","8","1554","","10.1039/c1sc00154j","","","0.71073","MoKα","","0.1667","0.1235","","","0.3072","0.3335","","","","","","2.198","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1520800","9.6975","","9.6975","","8.0938","","90","","90","","120","","659.178","","","","","","","","","","","","","5","P 63","P 6c","173","","(N H4) (Sn4 P3 O12)","","- H4 N O12 P3 Sn4 -","- N O12 P3 Sn4 -","- N2 O24 P6 Sn8 -","2","0.333333","","Ayyappan, S.; Stock, N.; Chang, J.-S.; Hatfield, R.; Cheetham, A.K.; Rao, C.N.R.","Synthesis, characterization and acid-base catalytic properties of ammonium-containing tin(II) phopshates: (N H4) (Sn4 P3 O12) and (N H4) (Sn P O4)","International Journal of Inorganic Materials","2000","2","","21","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520920","12.6595","","12.6595","","5.1527","","90","","90","","120","","715.152","","","","","","","","","","","","","5","P 63","P 6c","173","","Na7.262 (C O3)0.932 Al6 Si6 O24","","- C0.932 Al6 Na7.262 O26.796 Si6 -","- C0.932 Al6 Na7.262 O26.796 Si6 -","- C0.932 Al6 Na7.262 O26.796 Si6 -","1","0.166667","","Burton, A.; Feuerstein, M.; Lobo, R.F.; Chan, J.C.C.","Characterization of cancrinite synthesized in 1,3-butanediol by Rietveld analysis of powder neutron diffraction data and solid state (23)Na NMR spectroscopy","Microporous and Mesoporous Materials","1999","30","","293","305","","","","","","","","","","","","","","","","","","","","","","has coordinates","140494","2020-10-21","18:00:00",""
"1521953","5.1421","","5.1421","","8.634","","90","","90","","120","","197.708","","","","","","","","","","","","","4","P 63","P 6c","173","","K Li (S O4)","","- K Li O4 S -","- K Li O4 S -","- K2 Li2 O8 S2 -","2","0.333333","","Solans, X.; Calvet, M.T.; Bocanegra, E.H.; Martinez-Sarrion, M.L.; Mestres, L.; Bakkali, A.; Herraiz, M.; Mata, J.","Thermal analysis and X-ray diffraction study on Li K S O4: a new phase transition","Journal of Solid State Chemistry","1999","148","","316","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522874","4.912","","4.912","","8.86","","90","","90","","120","","185.132","","","","","","","","","","","","","2","P 63","P 6c","173","","","","- Al5 Mo -","- Al5 Mo -","- Al10 Mo2 -","2","0.333333","","Schuster, J.C.; Ipser, H.","The Al - Al8 Mo3 section of the binary system aluminum- molybdenum","Metallurgical Transactions A: Physical Metallurgy and Materials Science","1991","22","","1729","1738","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524245","10.481","","10.481","","3.701","","90","","90","","120","","352.091","","","","","","","","","","","","","4","P 63","P 6c","173","","K0.13 V0.13 Mo0.87 O3","","- K0.13 Mo0.87 O3 V0.13 -","- K0.13 Mo0.87 O3 V0.13 -","- K0.78 Mo5.22 O18 V0.78 -","6","1","","Darriet, B.; Galy, J.","Une nouvelle structure a tunnels: Kx Vx Mo1-x O3 (x= 0.13)","Journal of Solid State Chemistry","1973","8","","189","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","144952","2020-10-21","18:00:00",""
"1524456","7.595","","7.595","","2.9023","","90","","90","","120","","144.987","","","","","","","","","","","","","2","P 63","P 6c","173","","Si3 N4","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.333333","","Gruen, R.","Neubestimmung der Struktur von beta Si3 N4 aus Einkristalldaten","Fortschritte der Mineralogie, Beiheft","1977","55","","38","39","","","","","","","","","","","","","","","","","","","","","","has coordinates","145223","2020-10-21","18:00:00",""
"1524484","10.81","","10.81","","8.707","","90","","90","","120","","881.151","","","","","","","","","","","","","4","P 63","P 6c","173","","Ba Fe1.5 Al0.5 O4","","- Al0.5 Ba Fe1.5 O4 -","- Al0.500025 Ba Fe1.49998 O4 -","- Al4.0002 Ba8 Fe11.9998 O32 -","8","1.33333","","Harder, M.","Zur Kristallstruktur von Ba Fex Al2-x O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1979","448","","135","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524697","22.13799","","22.13799","","5.248","","90","","90","","120","","2227.41","","","","","","","","","","","","","7","P 63","P 6c","173","","K9 Na15 (Al Si O4)18 (O H)2 (S O4)2 (H2 O)6.82","","- Al18 H15.64 K9 Na15 O88.82 S2 Si18 -","- Al18 K9 Na15 O88.82 S2 Si18 -","- Al18 K9 Na15 O88.82 S2 Si18 -","1","0.166667","","Klaska, R.; Jarchow, O.","Synthetischer Sulfat-hydrocancrinit vom Mikrosommit-Typ","Naturwissenschaften","1977","64","","93","93","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525852","9.145","","9.145","","15.099","","90","","90","","120","","1093.57","","","","","","","","","","","","","4","P 63","P 6c","173","","Cd4 (S O4) (O H)6 (H2 O)1.5","","- Cd4 H9 O11.5 S -","- Cd4 O11.5 S -","- Cd16 O46 S4 -","4","0.666667","","Louer, D.; Rius, J.; Louer, M.; Bennard-Rocherulle, P.","Structural study of cadmium hydroxide sulfates. VI. The layer structure of Cd4 S O4 (O H)6 * 1.5(H2 O) studied from X-ray powder and single-crystal diffraction data","Powder Diffraction","2001","16","","86","91","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526155","9.547","","9.547","","6.991","","90","","90","","120","","551.828","","","","","","","","","","","","","14","P 63","P 6c","173","","(Ca4.79 (Y0.250 La1.134 Ce2.185 Pr0.218 Nd0.583) Th0.72 U0.12) ((Si5.57 P0.25 B0.16) O24) (O H)0.23 F1.77","","- B0.16 Ca4.79 Ce2.185 F1.77 H0.23 La1.134 Nd0.583 O24.23 P0.25 Pr0.218 Si5.57 Th0.72 U0.12 Y0.25 -","- B0.1602 Ca4.792 Ce2.184 F1.77 La1.134 Nd0.582 O24.23 P0.2502 Pr0.216 Si5.568 Th0.72 U0.12 Y0.252 -","- B0.1602 Ca4.792 Ce2.184 F1.77 La1.134 Nd0.582 O24.23 P0.2502 Pr0.216 Si5.568 Th0.72 U0.12 Y0.252 -","1","0.166667","","Oberti, R.; della Ventura, G.; Ottolini, L.; Parodi, G.C.","On the symmetry and crystal chemistry of britholite: new structural and microanalytical data","American Mineralogist","2001","86","","1066","1075","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526156","9.682","","9.682","","7.066","","90","","90","","120","","573.633","","","","","","","","","","","","","11","P 63","P 6c","173","","Na0.98 Ca2.01 (La2.959 Ce3.378 Nd0.429 Pr0.204) (Si5.07 P0.75) O24 ((O H)0.53 F1.47)","","- Ca2.01 Ce3.378 F1.47 H0.53 La2.959 Na0.98 Nd0.429 O24.53 P0.75 Pr0.204 Si5.07 -","- Ca2.01 Ce3.378 F1.47 La2.958 Na0.98 Nd0.43 O24.53 P0.75 Pr0.202 Si5.07 -","- Ca2.01 Ce3.378 F1.47 La2.958 Na0.98 Nd0.43 O24.53 P0.75 Pr0.202 Si5.07 -","1","0.166667","","Oberti, R.; Ottolini, L.; Parodi, G.C.; della Ventura, G.","On the symmetry and crystal chemistry of britholite: new structural and microanalytical data","American Mineralogist","2001","86","","1066","1075","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526513","18.64029","","18.64029","","8.6801","","90","","90","","120","","2611.93","","","","","","","","","","","","","3","P 63","P 6c","173","","Ba (Ga2 O4)","","- Ba Ga2 O4 -","- Ba Ga2 O4 -","- Ba24 Ga48 O96 -","24","4","","Kahlenberg, V.; Parise, J.B.; Fischer, R.X.","The stuffed framework structure of Ba Ga2 O4","Journal of Solid State Chemistry","2000","154","","612","618","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526849","12.968","","12.968","","5.132","","90","","90","","120","","747.418","","","","","","","","","","","","","6","P 63","P 6c","173","","Na6 Cs2 (Al6 Ge6 O24) (Ge (O H)6)","","- Al6 Cs2 Ge7 H6 Na6 O30 -","- Al6 Cs2 Ge7 Na6 O30 -","- Al6 Cs2 Ge7 Na6 O30 -","1","0.166667","","Lee, Y.-J.; Parise, J.B.; Tripathi, A.; Kim, S.-J.; Vogt, T.","Synthesis and crystal structures of gallium and germanium variants of cancrinite","Microporous and Mesoporous Materials","2000","39","","445","455","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526988","12.492","","12.492","","4.999","","90","","90","","120","","675.581","","","","","","","","","","","","","8","P 63","P 6c","173","","(Cs0.273 K0.06) (Na0.18 Fe0.16 (H2 O)1.05) (Zn P O4)","","- Cs0.273 Fe0.16 H2.1 K0.06 Na0.18 O5.05 P Zn -","- Cs0.273333 Fe0.16 K0.06 Na0.18 O5.05 P Zn -","- Cs1.64 Fe0.96 K0.36 Na1.08 O30.3 P6 Zn6 -","6","1","","Yakubovich, O.V.; Karimova, O.V.; Mel'nikov, O.K.","A new representative of the cancrinite family (Cs, K)0.33 (Na0.18 Fe0.16 (H2 O)1.05) (Zn P O4): preparation and crystal structure","Kristallografiya","1994","39","","630","634","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527010","10.277","","10.277","","5.793","","90","","90","","120","","529.867","","","","","","","","","","","","","4","P 63","P 6c","173","","La3 (Al0.44 Si0.93 S7)","","- Al0.44 La3 S7 Si0.93 -","- Al0.44 La3 S7 Si0.93 -","- Al0.88 La6 S14 Si1.86 -","2","0.333333","","Yang, Y.-T.; Ibers, J.A.","Accidental silicon-containing compounds: crystal structures of La3 Al0.44 Si0.93 S7, Ba Sm4 (Si O4)3 Se, and monoclinic and orthorhombic Ln2 (Si O4) Te (Ln = Nd and Sm)","Journal of Solid State Chemistry","2000","155","","433","440","","","","","","","","","","","","","","","","","","","","","","has coordinates","148298","2020-10-21","18:00:00",""
"1528881","12.745","","12.745","","5.18","","90","","90","","120","","728.685","","","","","","","","","","","","","7","P 63","P 6c","173","","(Na0.5 Ca0.5)2 Na6 (Al6 Si6 O24) (B O3) (H2 O)2","","- Al6 B Ca H4 Na7 O29 Si6 -","- Al6 B Ca H4.0002 Na7 O28.9998 Si6 -","- Al6 B Ca H4.0002 Na7 O28.9998 Si6 -","1","0.166667","","Shirinova, A.F.; Samedov, H.R.; Khrustalev, V.N.; Chiragov, M.I.","Hydrothermal synthesis and the crystal structure of borate cancrinite (Na, Ca) (Na6 (Al Si O4)6) (B O3) . 2H2 O","Kristallografiya","2006","51","","44","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529813","9.968","","9.968","","8.356","","90","","90","","120","","719.027","","","","","","","","","","","","","4","P 63","P 6c","173","","Na6.65 Al6.24 Si9.76 O32","","- Al6.24 Na7.26 O31.98 Si9.76 -","- Al6.24 Na7.26 O31.98 Si9.76 -","- Al6.24 Na7.26 O31.98 Si9.76 -","1","0.166667","","Dollase, W.A.; Thomas, W.M.","The crystal chemistry of silica-rich, alkali-deficient nepheline","Contributions to Mineralogy and Petrology (23,1969-)","1978","66","","311","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","154449","2020-10-21","18:00:00",""
"1530697","10.689","","10.689","","8.708","","90","","90","","120","","861.635","","","","","","","","","","","","","4","P 63","P 6c","173","","Zn (H3 O) P O4","","- H3 O5 P Zn -","- H0.75 O5 P Zn -","- H6 O40 P8 Zn8 -","8","1.33333","","Sandomirskii, P.A.; Klientova, G.P.; Simonov, M.A.; Belov, N.V.","The crystal structure of Zn H P O4 * H2 O = (H3 O) Zn P O4","Doklady Akademii Nauk SSSR","1977","236","","597","600","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530796","12.635","","12.635","","5.114","","90","","90","","120","","707.037","","","","","","","","","","","","","6","P 63","P 6c","173","","Na8 (Al Si O4)6 (C O3) (H2 O)2","","- C H4 Al6 Na8 O29 Si6 -","- C Al6 Na8 O28.998 Si6 -","- C Al6 Na8 O28.998 Si6 -","1","0.166667","","Smolin, Yu.I.; Shepelev, Yu.F.; Kobyakov, I.B.; Butikova, I.K.","The crystal structure of cancrinite","Kristallografiya","1981","26","","63","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530849","9.4554","","9.4554","","6.8405","","90","","90","","120","","529.637","","","","","","","","","","","","","4","P 63","P 6c","173","","Ca10 (P O4)6 S0.95","","- Ca10 O24 P6 S0.95 -","- Ca10 O24 P6 S0.95 -","- Ca10 O24 P6 S0.95 -","1","0.166667","","Sutich, P.R.; Taitai, A.; Lacout, J.L.; Young, R.A.","Structural consequences of the coupled substitution of Eu, S in calcium sulfoapatite","Journal of Solid State Chemistry","1986","63","","267","277","","","","","","","","","","","","","","","","","","","","","","has coordinates","156066","2020-10-21","18:00:00",""
"1530850","9.5112","","9.5112","","6.803","","90","","90","","120","","532.969","","","","","","","","","","","","","5","P 63","P 6c","173","","Ca9.65 Eu.35 (P O4)6 S","","- Ca9.65 Eu0.35 O24 P6 S -","- Ca9.64 Eu0.36 O24 P6 S0.98 -","- Ca9.64 Eu0.36 O24 P6 S0.98 -","1","0.166667","","Sutich, P.R.; Taitai, A.; Lacout, J.L.; Young, R.A.","Structural consequences of the coupled substitution of Eu, S in calcium sulfoapatite","Journal of Solid State Chemistry","1986","63","","267","277","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530851","9.5977","","9.5977","","6.7416","","90","","90","","120","","537.809","","","","","","","","","","","","","5","P 63","P 6c","173","","Ca9.1 Eu.90 (P O4)6 S1.41","","- Ca9.1 Eu0.9 O24 P6 S1.41 -","- Ca9.1 Eu0.9 O24 P6 S1.42 -","- Ca9.1 Eu0.9 O24 P6 S1.42 -","1","0.166667","","Sutich, P.R.; Taitai, A.; Lacout, J.L.; Young, R.A.","Structural consequences of the coupled substitution of Eu, S in calcium sulfoapatite","Journal of Solid State Chemistry","1986","63","","267","277","","","","","","","","","","","","","","","","","","","","","","has coordinates","156068","2020-10-21","18:00:00",""
"1530852","9.6285","","9.6285","","6.7325","","90","","90","","120","","540.536","","","","","","","","","","","","","5","P 63","P 6c","173","","Ca8.63 Eu1.37 (P O4)6 S1.55","","- Ca8.63 Eu1.37 O24 P6 S1.55 -","- Ca8.62 Eu1.38 O24 P6 S1.56 -","- Ca8.62 Eu1.38 O24 P6 S1.56 -","1","0.166667","","Sutich, P.R.; Taitai, A.; Lacout, J.L.; Young, R.A.","Structural consequences of the coupled substitution of Eu, S in calcium sulfoapatite","Journal of Solid State Chemistry","1986","63","","267","277","","","","","","","","","","","","","","","","","","","","","","has coordinates","156069","2020-10-21","18:00:00",""
"1530972","14.692","","14.692","","7.394","","90","","90","","120","","1382.2","","","","","","","","","","","","","4","P 63","P 6c","173","","Mo3 (P5 Si O19)","","- Mo3 O19 P5 Si -","- Mo3 O19 P5 Si -","- Mo12 O76 P20 Si4 -","4","0.666667","","Wang, S.-L.; Lii, K.-H.; Wang, C.-C.","Mo3 P5 Si O19: A Molybdenum Phosphate Containing a Confacial Bioctahedral Molybdenum(III) Dimer with a Mo-Mo Bond","Journal of Solid State Chemistry","1988","74","","409","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531556","5.5","","5.5","","14.163","","90","","90","","120","","371.032","","","","","","","","","","","","","4","P 63","P 6c","173","","Fe3 (Si1.44 Fe0.56) O5 (O H)4","","- Fe3.56 H4 O9 Si1.44 -","- Fe3.56 H3 O9 Si1.44 -","- Fe7.12 H6 O18 Si2.88 -","2","0.333333","","Hybler, J.; Durovic, S.; Fabry, J.; Petricek, V.","Refinement of the crystal structure of cronstedtite - 2H2","Clays and Clay Minerals (29,1981-)","2002","50","","601","613","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531621","9.196","","9.196","","8.646","","90","","90","","120","","633.204","","","","","","","","","","","","","4","P 63","P 6c","173","","Ba Sr Ga4 O8","","- Ba Ga4 O8 Sr -","- Ba Ga4 O8 Sr -","- Ba3 Ga12 O24 Sr3 -","3","0.5","","Kubota, S.; Takahashi, T.; Yamane, H.; Shimada, M.","A powder X-ray diffraction study of a new compound, Ba Sr Ga4 O8","Journal of Alloys Compd.","2002","345","","105","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531771","5.1412","","5.1412","","8.644","","90","","90","","120","","197.867","","","","","","","","","","","","","6","P 63","P 6c","173","","Li (K0.97 (N H4)0.03) (S O4)","","- H0.12 K0.97 Li N0.03 O4 S -","- K0.972 Li N0.028 O4 S -","- K1.944 Li2 N0.056 O8 S2 -","2","0.333333","","Mata, J.; Molera, J.; Solans, X.","Structural and vibrational studies of Li (Kx (N H4)1-x) S O4 and Li2 K N H4 (S O4)2 mixed crystals","Journal of Solid State Chemistry","2003","173","","69","77","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531774","5.152","","5.152","","8.642","","90","","90","","120","","198.654","","","","","","","","","","","","","6","P 63","P 6c","173","","Li (K0.93 (N H4)0.07) (S O4)","","- H0.28 K0.93 Li N0.07 O4 S -","- K0.9329 Li N0.0671 O4 S -","- K1.8658 Li2 N0.1342 O8 S2 -","2","0.333333","","Mata, J.; Solans, X.; Molera, J.","Structural and vibrational studies of Li (Kx (N H4)1-x) S O4 and Li2 K N H4 (S O4)2 mixed crystals","Journal of Solid State Chemistry","2003","173","","69","77","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531777","18.178","","18.178","","8.595","","90","","90","","120","","2459.62","","","","","","","","","","","","","6","P 63","P 6c","173","","Li2 K0.5 (K0.5 (N H4)) (S O4)2","","- H4 K Li2 N O8 S2 -","- K0.9995 Li2 N1.0005 O8 S2 -","- K11.994 Li24 N12.006 O96 S24 -","12","2","","Mata, J.; Solans, X.; Molera, J.","Structural and vibrational studies of Li (Kx (N H4)1-x) S O4 and Li2 K N H4 (S O4)2 mixed crystals","Journal of Solid State Chemistry","2003","173","","69","77","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531927","5.447","","5.447","","9.089","","90","","90","","120","","233.54","","","","","","","","","","","","","4","P 63","P 6c","173","","(La0.025 Sr0.975) (Mn O3)","","- La0.025 Mn O3 Sr0.975 -","- La0.025 Mn O3 Sr0.975 -","- La0.1 Mn4 O12 Sr3.9 -","4","0.666667","","Nakano, H.; Mori, T.; Kamegashira, N.","Structural analysis of La0.025 Sr0.975 Mn O3 with a new layered structure","Journal of Alloys Compd.","2002","343","","179","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531982","10.725","","10.725","","6.133","","90","","90","","120","","610.939","","","","","","","","","","","","","4","P 63","P 6c","173","","La3 Cu Ge Se7","","- Cu Ge La3 Se7 -","- Cu Ge La3 Se7 -","- Cu2 Ge2 La6 Se14 -","2","0.333333","","Poduska, K.M.; DiSalvo, F.J.; Min, K.; Halasyamani, P.S.","Structure determination of La3 Cu Ge S7 and La3 Cu Ge Se7","Journal of Alloys Compd.","2002","335","","5","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532521","7.756","","7.756","","9.469","","90","","90","","120","","493.299","","","","","","","","","","","","","4","P 63","P 6c","173","","(Mg2 (Si O4))2 (Mg (O H)2)3","","- H6 Mg7 O14 Si2 -","- Mg7 O14 Si2 -","- Mg14 O28 Si4 -","2","0.333333","","Kudoh, Y.; Kuribayashi, T.; Kagi, H.; Sasaki, S.; Tanaka, M.","High-pressure structural study of phase-A, Mg7 Si2 H6 O14 using synchrotron radiation","Journal of Physics: Condensed Matter","2002","14","","10491","10495","","","","","","","","","","","","","","","","","","","","","","has coordinates","158449","2020-10-21","18:00:00",""
"1532814","5.4777","","5.4777","","5.1282","","90","","90","","120","","133.258","","","","","","","","","","","","","3","P 63","P 6c","173","","Mg (I O3)2","","- I2 Mg O6 -","- I2 Mg O6 -","- I2 Mg O6 -","1","0.166667","","Liang Jingkui; Yu Yu-De; Ding Shiling","The structure and phase transitions of magnesium iodate crystals","Wu Li Hsueh Pao (= Acta Physica Sinica)","1978","27","","710","722","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534967","9.048","","9.048","","16.718","","90","","90","","120","","1185.28","","","","","","","","","","","","","3","P 63","P 6c","173","","Ga H3 (P O4)2 (H2 O)2","","- Ga O9 P2 -","- Ga O9 P2 -","- Ga6 O54 P12 -","6","1","","Mamedov, N.D.; Gasymov, V.A.; Mustafaev, N.M.; Tagiev, D.B.; Mamedov, H.S.","Hydrothermal synthesis and crystal structure of gallium and iron hydridophosphates","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","84","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535044","9.7657","","9.7657","","5.7061","","90","","90","","120","","471.278","","","","","","","","","","","","","4","P 63","P 6c","173","","Na Y3 S3 (Si S4)","","- Na S7 Si Y3 -","- Na S7 Si Y3 -","- Na2 S14 Si2 Y6 -","2","0.333333","","Hartenbach, I.; Schleid, T.","Na Y3 S3 (Si S4): a sodium-containing yttrium sulfide thiosilicate with channel structure","Journal of Solid State Chemistry","2003","171","","382","386","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535098","16.199","","16.199","","6.6485","","90","","90","","120","","1510.88","","","","","","","","","","","","","4","P 63","P 6c","173","","Cd5 (P O4)3 (O H)","","- Cd5 H O13 P3 -","- Cd5 O13 P3 -","- Cd30 O78 P18 -","6","1","","Hata, M.; Marumo, F.","Syntheses and superstructures of (Cd, M)5(PO4)3OH (M= Mn, Fe, Co, Ni, Cu, Hg)","Mineralogical Journal (Japan)","1983","11","","317","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535740","9.32","","9.32","","8.866","","90","","90","","120","","666.945","","","","","","","","","","","","","4","P 63","P 6c","173","","Ba Zn (Ge O4)","","- Ba Ge O4 Zn -","- Ba Ge O4 Zn -","- Ba6 Ge6 O24 Zn6 -","6","1","","Iijima, K.; Marumo, F.; Takei, H.","Structural Changes of a Piezoelectric Crystal BaZnGeO~4~ on Thermal Phase Transition","Journal of the Ceramic Association, Japan","1983","91","1050","67","72","10.2109/jcersj1950.91.1050_67","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535818","9.974","","9.974","","8.36","","90","","90","","120","","720.237","","","","","","","","","","","","","5","P 63","P 6c","173","","K0.25 Na6 Al6.24 Si9.76 O32","","- Al6.24 K0.25 Na6 O32 Si9.76 -","- Al6.24 K0.25 Na6 O31.9998 Si9.76 -","- Al6.24 K0.25 Na6 O31.9998 Si9.76 -","1","0.166667","","Dollase, W.A.; Thomas, W.M.","The crystal chemistry of silica-rich, alkali-deficient nepheline","Contributions to Mineralogy and Petrology (23,1969-)","1978","66","","311","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","163292","2020-10-21","18:00:00",""
"1536167","10.05","","10.05","","6.08","","90","","90","","120","","531.822","","","","","","","","","","","","","3","P 63","P 6c","173","","Ce6 Al3.33 S14","","- Al3.33 Ce6 S14 -","- Al3.33 Ce6 S14 -","- Al3.33 Ce6 S14 -","1","0.166667","","de Saint-Giniez, D.; Laruelle, P.; Flahaut, J.","Structure cristalline du sulfure double de cerium et d'aluminium Ce6 Al3.33 S14","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1968","267","","1029","1032","","","","","","","","","","","","","","","","","","","","","","has coordinates","163779","2020-10-21","18:00:00",""
"1536407","12.644","","12.644","","5.146","","90","","90","","120","","712.475","","","","","","","","","","","","","6","P 63","P 6c","173","","Na8 (Si6 Al6 O24) (H0.88 (C O3)1.44) (H2 O)2","","- C1.44 H4.88 Al6 Na8 O30.32 Si6 -","- C1.44 H4.8792 Al6 Na8 O30.3198 Si6 -","- C1.44 H4.8792 Al6 Na8 O30.3198 Si6 -","1","0.166667","","Kanepit, V.N.; Rider, E.E.","The neutron diffraction study of cancrinite","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1995","36","","763","765","","","","","","","","","","","","","","","","","","","","","","has coordinates","164098","2020-10-21","18:00:00",""
"1536575","22.626","","22.626","","13.056","","90","","90","","120","","5788.37","","","","","","","","","","","","","3","P 63","P 6c","173","","(Bi9)3 (Bi3 Br13) (Bi7 Br30) (In Br5)","","- Bi37 Br48 In -","- Bi37 Br48 In -","- Bi74 Br96 In2 -","2","0.333333","","Dubenskiy, V.; Ruck, M.","Br37 In Br48: ein polares Subhalogenid mit (Bi9)(5+)-Polykationen, komplexen Bromobismutat(III)-Anionen (Bi3 Br13)(4-) und (Bi7 Br30)(9-) sowie Pentabromoindat(III)-Anionen (In Br5)(2-)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","375","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536587","7.6072","","7.6072","","2.9274","","90","","90","","120","","146.711","","","","","","","","","","","","","4","P 63","P 6c","173","","Si5 Al O N7","","- Al N7 O Si5 -","- Al0.99 N7 O Si4.998 -","- Al0.99 N7 O Si4.998 -","1","0.166667","","Khvatinskaya, D.Ya.; Loryan, V.E.; Em, V.T.; Smirnov, K.L.","Neutronographic study of beta'-sialon structure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","2124","2126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537077","10.215","","10.215","","6.024","","90","","90","","120","","544.368","","","","","","","","","","","","","4","P 63","P 6c","173","","La6 Mn2 Ga2 S14","","- Ga2 La6 Mn2 S14 -","- Ga2 La6 Mn2 S14 -","- Ga2 La6 Mn2 S14 -","1","0.166667","","Rodier, N.; Flahaut, J.; Guittard, M.","Structure cristalline de La6 Mn2 Ga2 S14","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (-1983)","1983","296","","65","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","165067","2020-10-21","18:00:00",""
"1539826","12.24","","12.24","","4.925","","90","","90","","120","","638.998","","","","","","","","","","","","","9","P 63","P 6c","173","","(Mg.49 Fe.03 Ti.6 Zr.02) Mg6 Al6 (Si7.95 P.05 O28) (O H)9.57 O.43","","- Al6 Fe0.03 H9.57 Mg6.49 O38 P0.05 Si7.95 Ti0.6 Zr0.02 -","- Al6 Fe0.03 Mg6.49 O38 P0.0496 Si7.9504 Ti0.6 Zr0.02 -","- Al6 Fe0.03 Mg6.49 O38 P0.0496 Si7.9504 Ti0.6 Zr0.02 -","1","0.166667","","Comodi, P.; Zanazzi, P.F.","Structural study of ellenbergerite. Part II: Effects of high pressure","European Journal of Mineralogy (1,1989-)","1993","5","","831","838","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539943","10.95","","10.95","","10.3","","90","","90","","120","","1069.54","","","","","","","","","","","","","6","P 63","P 6c","173","","Ca3 H2 (Si O4) (C O3) (S O4) (H2 O)13","","- C H28 Ca3 O24 S Si -","- C Ca3 O24 S Si -","- C2 Ca6 O48 S2 Si2 -","2","0.333333","","Welin, E.","The crystal structure of thaumasite Ca3 H2 (C O3 S O4) Si O4 (H2 O)13","Arkiv foer Mineralogi och Geologi","1957","2","","137","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539970","10.606","","10.606","","5.879","","90","","90","","120","","572.713","","","","","","","","","","","","","5","P 63","P 6c","173","","Ca4 Mn3 B3 O12 C O3","","- C B3 Ca4 Mn3 O15 -","- C B3 Ca4 Mn3 O15 -","- C2 B6 Ca8 Mn6 O30 -","2","0.333333","","Yakubovich, O.V.; Simonov, M.A.; Belov, N.V.","Structure refinement for Gaudefroyite","Kristallografiya","1975","20","","152","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541221","18.9752","","18.9752","","8.1044","","90","","90","","120","","2527.11","","","","","","","","","","","","","4","P 63","P 6c","173","","Al (P O4) (H2 O)2.33","","- Al H4.66 O6.33 P -","- Al O6.33333 P -","- Al18 O114 P18 -","18","3","","McCusker, L.B.; Baerlocher, C.; Jahn, E.; Buelow, M.","The triple helix inside the large-pore aluminophosphate molecular sieve VPI-5","Zeolites","1991","11","","308","313","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541228","22.121","","22.121","","5.221","","90","","90","","120","","2212.55","","","","","","","","","","","","","7","P 63","P 6c","173","","Na6 K2 (Al6 Si6 O24) (S O4) (H2 O)2","","- Al6 H4 K2 Na6 O30 S Si6 -","- Al6 K2 Na6 O29.9996 S Si6 -","- Al18 K6 Na18 O89.9988 S3 Si18 -","3","0.5","","Merlino, S.; Leoni, L.; Bonaccorsi, E.; Pasero, M.; Mellini, M.; Orlandi, P.","Pitiglianoite, a new feldspathoid from southern Tuscany, Italy: Chemical composition and crystal structure","American Mineralogist","1991","76","","2003","2008","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541317","12.4328","","12.4328","","4.9692","","90","","90","","120","","665.204","","","","","","","","","","","","","6","P 63","P 6c","173","","Li4.56 Cs1.5 (Al6 Si6 O24) (H2 O)5.58","","- Al6 Cs1.5 H11.16 Li4.56 O29.58 Si6 -","- Al6 Cs1.5 Li4.56 O29.58 Si6 -","- Al6 Cs1.5 Li4.56 O29.58 Si6 -","1","0.166667","","Norby, P.; Krogh Andersen, I.G.; Colella, C.; Krogh Andersen, E.; de'Gennaro, M.","Synthesis and structure of lithium cesium and lithium thallium cancrinites","Zeolites","1991","11","","248","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541501","24.849","","24.849","","12.214","","90","","90","","120","","6531.4","","","","","","","","","","","","","4","P 63","P 6c","173","","Ga6 (Si (C H3) (Si (C H3)3)2)6","","- C42 H126 Ga6 Si18 -","- C42 H114 Ga6 Si18 -","- C126 H342 Ga18 Si54 -","3","0.5","","Linti, G.; Dutta, D.; Coban, S.","Das Hexagallan (Ga6 (Si Me (Si Me3)2)6) und das closo-hexagallanat (Ga6 (Si (C Me3)3)4 (C H2 C6 H5)2)(2-) - der Uebergang zu einem ungewoehnlichen precloso-cluster","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","319","323","","","","","","","","","","","","","","","","","","","","","","has coordinates","172843","2020-10-21","18:00:00",""
"1541810","12.67","","12.67","","5.19","","90","","90","","120","","721.525","","","","","","","","","","","","","4","P 63","P 6c","173","","Na8.16 (Al6 Si6 O24) (N O3)2.16 (H2 O)1.62","","- Al6 Na8.16 O29.02 Si6 -","- Al6 Na8.16 O29.02 Si6 -","- Al6 Na8.16 O29.02 Si6 -","1","0.166667","","Barrer, R.M.; Cole, J.F.; Villiger, H.","Chemistry of soil minerals. part VII. Synthesis, properties, and crystal structures of salt-filled cancrinites","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1970","1970","","1523","1531","","","","","","","","","","","","","","","","","","","","","","has coordinates","173321","2020-10-21","18:00:00",""
"1542106","12.72","","12.72","","5.19","","90","","90","","120","","727.231","","","","","","","","","","","","","3","P 63","P 6c","173","","Na7.14 (Al6 Si7.08 O26.73) (H2 O)4.87","","- Al6 Na7.14 Si6 -","- Al6 Na7.14 Si6 -","- Al6 Na7.14 Si6 -","1","0.166667","","Barrer, R.M.; Cole, J.F.; Villiger, H.","Chemistry of soil minerals. part VII. Synthesis, properties, and crystal structures of salt-filled cancrinites","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1970","1970","","1523","1531","","","","","","","","","","","","","","","","","","","","","","has coordinates","174087","2020-10-21","18:00:00",""
"1543281","20.258","0.005","20.258","0.005","18.302","0.004","90","","90","","120","","6505","3","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C126.5 H171 Cl13 N6 O6 S2 U2 -","- C126.5 H170 Cl12.9999 N6 O6 S2 U2 -","- C253 H340 Cl25.9998 N12 O12 S4 U4 -","2","0.333333","","Rosenzweig, Michael W.; Scheurer, Andreas; Lamsfus, Carlos A.; Heinemann, Frank W.; Maron, Laurent; Andrez, Julie; Mazzanti, Marinella; Meyer, Karsten","Uranium(iv) terminal hydrosulfido and sulfido complexes: insights into the nature of the uranium‒sulfur bond","Chem. Sci.","2016","7","9","5857","","10.1039/C6SC00677A","","","0.71073","MoKα","","0.0385","0.0307","","","0.0696","0.0714","","","","","","1.133","","","","has coordinates,has disorder","186330","2020-10-21","18:00:00",""
"1543283","14.9009","0.0019","14.9009","0.0019","19.249","0.003","90","","90","","120","","3701.4","0.9","100","2","100.15","","","","","","","","","7","P 63","P 6c","173","","","","- C78 H114 K N5 O9 S U -","- C78 H114 K N5 O9 S U -","- C156 H228 K2 N10 O18 S2 U2 -","2","0.333333","","Rosenzweig, Michael W.; Scheurer, Andreas; Lamsfus, Carlos A.; Heinemann, Frank W.; Maron, Laurent; Andrez, Julie; Mazzanti, Marinella; Meyer, Karsten","Uranium(iv) terminal hydrosulfido and sulfido complexes: insights into the nature of the uranium‒sulfur bond","Chem. Sci.","2016","7","9","5857","","10.1039/C6SC00677A","","","0.71073","MoKα","","0.0687","0.0319","","","0.0561","0.0645","","","","","","1.028","","","","has coordinates","186330","2020-10-21","18:00:00",""
"1544364","4.7158","0.0003","4.7158","0.0003","11.917","0.001","90","","90","","120","","229.51","0.03","","","","","","","","","","","","3","P 63","P 6c","173","SiP2O7 phase I","","","- O7 P2 Si -","- O7 P2 Si -","- O14 P4 Si2 -","2","0.333333","","Poojary, D.M.; Borade, R.B.; Campbell, III, F.L.; Clearfield, A.","Crystal structure of silicon pyrophosphate (form I) from powder diffraction data","Journal of Solid State Chemistry","1994","112","","106","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","187601","2020-10-21","18:00:00",""
"1544570","9.72","0.002","9.72","0.002","7.1859","0.0009","90","","90","","120","","587.96","0.19","","","","","","","","","","","","3","P 63","P 6c","173","La9.33Si6O26","","","- La9.33 O26 Si6 -","- La9.334 O26 Si6 -","- La9.334 O26 Si6 -","1","0.166667","","Ueda, K.","Effect of Al-doping on crystal structure and ionic conductivity of apatite-type La9.33+x/3Si6-xAlxO26 solid electrolytes","Journal of the Ceramic Society of Japan","2012","120","","74","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","188470","2020-10-21","18:00:00",""
"1544571","9.715","0.002","9.715","0.002","7.233","0.001","90","","90","","120","","591.2","0.19","","","","","","","","","","","","4","P 63","P 6c","173","La10Si4Al2O26","","","- Al2 La10 O26 Si4 -","- Al1.9998 La10 O26 Si4.0002 -","- Al1.9998 La10 O26 Si4.0002 -","1","0.166667","","Ueda, K.","Effect of Al-doping on crystal structure and ionic conductivity of apatite-type La9.33+x/3Si6-xAlxO26 solid electrolytes","Journal of the Ceramic Society of Japan","2012","120","","74","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","188471","2020-10-21","18:00:00",""
"1544572","9.716","0.002","9.716","0.002","7.213","0.001","90","","90","","120","","589.69","0.19","","","","","","","","","","","","4","P 63","P 6c","173","La9.67Si5AlO26","","","- Al La9.67 O26 Si5 -","- Al1.0002 La9.668 O26 Si4.9998 -","- Al1.0002 La9.668 O26 Si4.9998 -","1","0.166667","","Ueda, K.","Effect of Al-doping on crystal structure and ionic conductivity of apatite-type La9.33+x/3Si6-xAlxO26 solid electrolytes","Journal of the Ceramic Society of Japan","2012","120","","74","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","188472","2020-10-21","18:00:00",""
"1544573","9.723","0.002","9.723","0.002","7.205","0.001","90","","90","","120","","589.88","0.19","","","","","","","","","","","","4","P 63","P 6c","173","La9.5Si5.5Al0.5O26","","","- Al0.5 La9.5 O26 Si5.5 -","- Al0.4998 La9.502 O26 Si5.5002 -","- Al0.4998 La9.502 O26 Si5.5002 -","1","0.166667","","Ueda, K.","Effect of Al-doping on crystal structure and ionic conductivity of apatite-type La9.33+x/3Si6-xAlxO26 solid electrolytes","Journal of the Ceramic Society of Japan","2012","120","","74","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","188473","2020-10-21","18:00:00",""
"1544574","9.717","0.002","9.717","0.002","7.227","0.001","90","","90","","120","","590.95","0.19","","","","","","","","","","","","4","P 63","P 6c","173","La9.8Si4.5Al1.5O26","","","- Al1.5 La9.8 O26 Si4.5 -","- Al1.5 La9.832 O26 Si4.5 -","- Al1.5 La9.832 O26 Si4.5 -","1","0.166667","","Ueda, K.","Effect of Al-doping on crystal structure and ionic conductivity of apatite-type La9.33+x/3Si6-xAlxO26 solid electrolytes","Journal of the Ceramic Society of Japan","2012","120","","74","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","188474","2020-10-21","18:00:00",""
"1544593","7.8604","0.0007","7.8604","0.0007","9.5702","0.0008","90","","90","","120","","512.08","0.08","","","","","","","","","","","","4","P 63","P 6c","173","Phase A: 2Mg2SiO4*3Mg(OH)2","","Phase A","- H6 Mg7 O14 Si2 -","- Mg7 O14 Si2 -","- Mg14 O28 Si4 -","2","0.333333","","Kuribayashi, T.; Kudoh, Y.; Kagi, H.","Compressibility of phase A, Mg7Si2H6O14 up to 11.2 GPa : Sample at 1 atm","Journal of Mineralogical and Petrological Sciences","2003","98","","215","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","188532","2020-10-21","18:00:00",""
"1544594","7.768","0.001","7.768","0.001","9.496","0.004","90","","90","","120","","496.2","0.2","","","","","","","","","","","","4","P 63","P 6c","173","Phase A: 2Mg2SiO4*3Mg(OH)2 @ 3.6 GPa","","Phase A @ 3.6 GPa","- H6 Mg7 O14 Si2 -","- Mg7 O14 Si2 -","- Mg14 O28 Si4 -","2","0.333333","","Kuribayashi, T.; Kudoh, Y.; Kagi, H.","Compressibility of phase A, Mg7Si2H6O14 up to 11.2 GPa : Sample at 3.6 GPa","Journal of Mineralogical and Petrological Sciences","2003","98","","215","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","188533","2020-10-21","18:00:00",""
"1544595","7.751","0.001","7.751","0.001","9.475","0.002","90","","90","","120","","492.98","0.14","","","","","","","","","","","","4","P 63","P 6c","173","Phase A: 2Mg2SiO4*3Mg(OH)2 @ 4.4 GPa","","Phase A @ 4.4 GPa","- H6 Mg7 O14 Si2 -","- Mg7 O14 Si2 -","- Mg14 O28 Si4 -","2","0.333333","","Kuribayashi, T.; Kudoh, Y.; Kagi, H.","Compressibility of phase A, Mg7Si2H6O14 up to 11.2 GPa : Sample at 4.4 GPa","Journal of Mineralogical and Petrological Sciences","2003","98","","215","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","188534","2020-10-21","18:00:00",""
"1544596","7.708","0.001","7.708","0.001","9.435","0.005","90","","90","","120","","485.5","0.3","","","","","","","","","","","","4","P 63","P 6c","173","Phase A: 2Mg2SiO4*3Mg(OH)2 @ 6.2 GPa","","Phase A @ 6.2 GPa","- H6 Mg7 O14 Si2 -","- Mg7 O14 Si2 -","- Mg14 O28 Si4 -","2","0.333333","","Kuribayashi, T.; Kudoh, Y.; Kagi, H.","Compressibility of phase A, Mg7Si2H6O14 up to 11.2 GPa : Sample at 6.2 GPa","Journal of Mineralogical and Petrological Sciences","2003","98","","215","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","188535","2020-10-21","18:00:00",""
"1544597","7.649","0.001","7.649","0.001","9.381","0.005","90","","90","","120","","475.3","0.3","","","","","","","","","","","","4","P 63","P 6c","173","Phase A: 2Mg2SiO4*3Mg(OH)2 @ 9.1 GPa","","Phase A @ 9.1 GPa","- H6 Mg7 O14 Si2 -","- Mg7 O14 Si2 -","- Mg14 O28 Si4 -","2","0.333333","","Kuribayashi, T.; Kudoh, Y.; Kagi, H.","Compressibility of phase A, Mg7Si2H6O14 up to 11.2 GPa : Sample at 9.1 GPa","Journal of Mineralogical and Petrological Sciences","2003","98","","215","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","188536","2020-10-21","18:00:00",""
"1544598","7.644","0.001","7.644","0.001","9.372","0.001","90","","90","","120","","474.25","0.1","","","","","","","","","","","","4","P 63","P 6c","173","Phase A: 2Mg2SiO4*3Mg(OH)2 @ 9.4 GPa","","Phase A @ 9.4 GPa","- H6 Mg7 O14 Si2 -","- Mg7 O14 Si2 -","- Mg14 O28 Si4 -","2","0.333333","","Kuribayashi, T.; Kudoh, Y.; Kagi, H.","Compressibility of phase A, Mg7Si2H6O14 up to 11.2 GPa : Sample at 9.4 GPa","Journal of Mineralogical and Petrological Sciences","2003","98","","215","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","188537","2020-10-21","18:00:00",""
"1544599","7.624","0.001","7.624","0.001","9.347","0.004","90","","90","","120","","470.5","0.2","","","","","","","","","","","","4","P 63","P 6c","173","Phase A: 2Mg2SiO4*3Mg(OH)2 @ 10.8 GPa","","Phase A @ 10.8 GPa","- H6 Mg7 O14 Si2 -","- Mg7 O14 Si2 -","- Mg14 O28 Si4 -","2","0.333333","","Kuribayashi, T.; Kudoh, Y.; Kagi, H.","Compressibility of phase A, Mg7Si2H6O14 up to 11.2 GPa : Sample at 10.8 GPa","Journal of Mineralogical and Petrological Sciences","2003","98","","215","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","188538","2020-10-21","18:00:00",""
"1544617","12.604","0.003","12.604","0.003","5.1144","0.0008","90","","90","","120","","703.6","0.3","","","","","","","","","","","","7","P 63","P 6c","173","Si6.30Al5.71Ca0.95Na6.84(CO3)1.21(SO4)0.15O24 cancrinite at 173 K","","cancrinite at 173 K","- C1.21 Al5.71 Ca0.95 Na6.84 O24 S0.15 Si6.3 -","- C1.62 Al5.7 Ca0.948 Na6.788 O30.74 Si6.3 -","- C1.62 Al5.7 Ca0.948 Na6.788 O30.74 Si6.3 -","1","0.166667","","Isupova, D.; Ida, A.; Kihara, K.; Morishita, T.; Bulka, G.","Asymmetric thermal vibrations of atoms and pyroelectricity in cancrinite : Sample at 173 K","Journal of Mineralogical and Petrological Sciences","2010","105","","29","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","188560","2020-10-21","18:00:00",""
"1544618","12.631","0.003","12.631","0.003","5.132","0.0005","90","","90","","120","","709.1","0.2","","","","","","","","","","","","7","P 63","P 6c","173","Si6.30Al5.71Ca0.95Na6.84(CO3)1.21(SO4)0.15O24 cancrinite at 293 K","","cancrinite at 293 K","- C1.21 Al5.71 Ca0.95 Na6.84 O24 S0.15 Si6.3 -","- C1.634 Al5.7 Ca0.948 Na6.782 O30.882 Si6.3 -","- C1.634 Al5.7 Ca0.948 Na6.782 O30.882 Si6.3 -","1","0.166667","","Isupova, D.; Ida, A.; Kihara, K.; Morishita, T.; Bulka, G.","Asymmetric thermal vibrations of atoms and pyroelectricity in cancrinite : Sample at 293 K","Journal of Mineralogical and Petrological Sciences","2010","105","","29","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","188561","2020-10-21","18:00:00",""
"1544619","12.659","0.003","12.659","0.003","5.1676","0.0004","90","","90","","120","","717.2","0.2","","","","","","","","","","","","7","P 63","P 6c","173","Si6.30Al5.71Ca0.95Na6.84(CO3)1.21(SO4)0.15O24 cancrinite at 473 K","","cancrinite at 473 K","- C1.21 Al5.71 Ca0.95 Na6.84 O24 S0.15 Si6.3 -","- C1.66 Al5.7 Ca0.948 Na6.728 O30.86 Si6.3 -","- C1.66 Al5.7 Ca0.948 Na6.728 O30.86 Si6.3 -","1","0.166667","","Isupova, D.; Ida, A.; Kihara, K.; Morishita, T.; Bulka, G.","Asymmetric thermal vibrations of atoms and pyroelectricity in cancrinite : Sample at 473 K","Journal of Mineralogical and Petrological Sciences","2010","105","","29","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","188562","2020-10-21","18:00:00",""
"1544620","12.681","0.003","12.681","0.003","5.1827","0.0004","90","","90","","120","","721.8","0.2","","","","","","","","","","","","7","P 63","P 6c","173","Si6.30Al5.71Ca0.95Na6.84(CO3)1.21(SO4)0.15O24 cancrinite at 673 K","","cancrinite at 673 K","- C1.21 Al5.71 Ca0.95 Na6.84 O24 S0.15 Si6.3 -","- C1.5 Al5.7 Ca0.948 Na6.62 O28.5 Si6.3 -","- C1.5 Al5.7 Ca0.948 Na6.62 O28.5 Si6.3 -","1","0.166667","","Isupova, D.; Ida, A.; Kihara, K.; Morishita, T.; Bulka, G.","Asymmetric thermal vibrations of atoms and pyroelectricity in cancrinite : Sample at 673 K","Journal of Mineralogical and Petrological Sciences","2010","105","","29","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","188563","2020-10-21","18:00:00",""
"1545484","16.2421","0.001","16.2421","0.001","8.9182","0.0006","90","","90","","120","","2037.5","0.2","173","","173","","","","","","","","","3","P 63","P 6c","173","Patchouli alcohol","4α,8aβ,9,9-Tetramethyl-3,4,4aβ,5,6β,7,8,8a-octahydro-1,6-\ methanonaphthalen-1β(2<i>H</i>)-ol","","- C15 H26 O -","- C15 H26 O -","- C90 H156 O6 -","6","1","SU4069","Inoue, Yutaka","Patchouli alcohol: 4α,8aβ,9,9-tetramethyl-3,4,4aβ,5,6β,7,8,8a-octahydro-1,6-methanonaphthalen-1β(2<i>H</i>)-ol","IUCrData","2017","2","2","x170189","","10.1107/S2414314617001894","","","0.71075","MoKα","","0.1106","0.0684","","","0.122","0.1362","","","","","","1.031","","","","has coordinates,has Fobs","193946","2020-10-21","18:00:00",""
"1546122","17.5938","0.0007","17.5938","0.0007","32.2344","0.0013","90","","90","","120","","8641.1","0.6","100","","100","","","","","","","","","5","P 63","P 6c","173","","","","- C151 H214 Cl2 N24 O10 -","- C151 H192 Cl2 N24 O9.9996 -","- C302 H384 Cl4 N48 O19.9992 -","2","0.333333","","Hasell, T.; Little, M. A.; Chong, S. Y.; Schmidtmann, M.; Briggs, M. E.; Santolini, V.; Jelfs, K. E.; Cooper, A. I.","Chirality as a tool for function in porous organic cages.","Nanoscale","2017","9","20","6783","6790","10.1039/c7nr01301a","","x-ray","0.71073","MoKα","","0.1121","0.0916","","","0.246","0.2709","","","","","","1.064","","","","has coordinates,has disorder","196993","2020-10-21","18:00:00",""
"1549262","17.8904","0.0016","17.8904","0.0016","12.7999","0.0013","90","","90","","120","","3547.9","0.6","90","2","90","2","","","","","","","","6","P 63","P 6c","173","","","","- C24 H106 Ca Cu6 N6 O66 -","- C24 H24 Ca Cu6 N6 O66 -","- C48 H48 Ca2 Cu12 N12 O132 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio","Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes","Materials Horizons","2018","5","4","683","","10.1039/C8MH00302E","","","0.71073","MoKα","","0.0474","0.041","","","0.1184","0.1284","","","","","","1.099","","","","has coordinates","230978","2020-10-21","18:00:00",""
"1549263","17.9504","0.0013","17.9504","0.0013","12.5603","0.0011","90","","90","","120","","3504.9","0.5","90","2","90","2","","","","","","","","6","P 63","P 6c","173","","","","- C48.4 H80.2 Ca Cu6 N11 O37.6 -","- C38.4017 H6 Ca Cu6 N6 O37.6002 -","- C76.8034 H12 Ca2 Cu12 N12 O75.2004 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio","Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes","Materials Horizons","2018","5","4","683","","10.1039/C8MH00302E","","","0.71073","MoKα","","0.0737","0.0613","","","0.1906","0.2052","","","","","","0.953","","","","has coordinates","230978","2020-10-21","18:00:00",""
"1549264","17.9607","0.0011","17.9607","0.0011","12.6765","0.0008","90","","90","","120","","3541.4","0.4","90","2","90","2","","","","","","","","6","P 63","P 6c","173","","","","- C42 H83 Ca Cu6 N9 O54 -","- C36.0006 H40.0008 Ca Cu6 N6 O52.5006 -","- C72.0012 H80.0016 Ca2 Cu12 N12 O105.001 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio","Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes","Materials Horizons","2018","5","4","683","","10.1039/C8MH00302E","","","0.71073","MoKα","","0.0578","0.0462","","","0.1379","0.1531","","","","","","0.891","","","","has coordinates","230978","2020-10-21","18:00:00",""
"1549265","17.9035","0.0009","17.9035","0.0009","12.6421","0.0007","90","","90","","120","","3509.3","0.3","90","2","90","2","","","","","","","","6","P 63","P 6c","173","","","","- C42 H89 Ca Cu6 N9 O51 -","- C30.0003 H24 Ca Cu6 N6 O49.0002 -","- C60.0006 H48 Ca2 Cu12 N12 O98.0004 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio","Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes","Materials Horizons","2018","5","4","683","","10.1039/C8MH00302E","","","0.71073","MoKα","","0.0558","0.0491","","","0.1525","0.1607","","","","","","1.043","","","","has coordinates","230978","2020-10-21","18:00:00",""
"1549266","17.997","0.003","17.997","0.003","12.861","0.002","90","","90","","120","","3607.5","1","90","2","90","2","","","","","","","","7","P 63","P 6c","173","","","","- C37 H90 Ca Cl Cu6 N7 O50 -","- C36.9989 Ca Cl0.9999 Cu6 N6.9999 O47.0001 -","- C73.9978 Ca2 Cl1.9998 Cu12 N13.9998 O94.0002 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio","Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes","Materials Horizons","2018","5","4","683","","10.1039/C8MH00302E","","","0.71073","MoKα","","0.1091","0.0612","","","0.1693","0.2015","","","","","","1.009","","","","has coordinates","230978","2020-10-21","18:00:00",""
"1549423","20.8091","0.001","20.8091","0.001","6.5883","0.0004","90","","90","","120","","2470.6","0.2","130.01","0.1","130.01","0.1","","","","","","","","5","P 63","P 6c","173","","","","- C18 H17 N Na O5 -","- C18 H16 N Na O5 -","- C108 H96 N6 Na6 O30 -","6","1","","Engstrom, Jordan R.; Savyasachi, Aramballi J.; Parhizkar, Marzieh; Sutti, Alessandra; Hawes, Chris S.; White, Jonathan M.; Gunnlaugsson, Thorfinnur; Pfeffer, Frederick M.","Norbornene chaotropic salts as low molecular mass ionic organogelators (LMIOGs).","Chemical science","2018","9","23","5233","5241","10.1039/c8sc01798k","","x-ray","1.54184","CuKα","","0.0824","0.0726","","","0.1768","0.1849","","","","","","1.039","","","","has coordinates,has disorder","228827","2020-10-21","18:00:00",""
"1549424","20.7637","0.0003","20.7637","0.0003","6.5915","0.0001","90","","90","","120","","2461.07","0.06","130.01","0.1","130.01","0.1","","","","","","","","5","P 63","P 6c","173","","","","- C18 H17 N Na O5 -","- C18 H16 N Na O5 -","- C108 H96 N6 Na6 O30 -","6","1","","Engstrom, Jordan R.; Savyasachi, Aramballi J.; Parhizkar, Marzieh; Sutti, Alessandra; Hawes, Chris S.; White, Jonathan M.; Gunnlaugsson, Thorfinnur; Pfeffer, Frederick M.","Norbornene chaotropic salts as low molecular mass ionic organogelators (LMIOGs).","Chemical science","2018","9","23","5233","5241","10.1039/c8sc01798k","","x-ray","1.54184","CuKα","","0.0694","0.0631","","","0.1502","0.1538","","","","","","1.117","","","","has coordinates,has disorder","228827","2020-10-21","18:00:00",""
"1550288","9.989","0.003","9.989","0.003","8.38","0.005","90","","90","","120","","724.1","0.5","","","","","","","","","","","synthetic","5","P 63","P 6c","173","","Potassium sodium aluminium silicate","","- Al3.96 K0.48 Na3.48 O16 Si4.04 -","- Al4 K0.48 Na3.48 O15.9999 Si4 -","- Al8 K0.96 Na6.96 O31.9998 Si8 -","2","0.333333","","Gregorkiewitz Michael","Crystal Structure and Al/Si-ordering of a synthetic nepheline","Bulletin de Mineralogie","1984","107","","499","507","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","212175","2020-10-21","18:00:00",""
"1550579","17.66","0.002","17.66","0.002","13.5994","0.0011","90","","90","","120","","3673.1","0.7","213","2","213","2","","","","","","","","6","P 63","P 6c","173","","","","- C26 H24 Br N3 O3 S -","- C26 H24 Br N3 O3 S -","- C156 H144 Br6 N18 O18 S6 -","6","1","","JARRIGE , Lucie; Glavač, Danijel; Levitre, Guillaume; Retailleau, Pascal; Bernadat, Guillaume; Neuville, luc; Masson, Geraldine","Chiral Phosphoric Acid-Catalyzed Enantioselective Construction of Structurally Diverse Benzothiazolopyrimidines","Chemical Science","2019","","","","","10.1039/C8SC05581E","","","1.54187","CuKα","","0.1239","0.0556","","","0.0966","0.1477","","","","","","1.118","","","","has coordinates","213536","2020-10-21","18:00:00",""
"1550865","8.926","0.0003","8.926","0.0003","8.4985","0.0002","90","","90","","120","","586.39","0.03","","","","","","","","","","","","3","P 63","P 6c","173","SrAl2O4","","","- Al2 O4 Sr -","- Al2 O4 Sr -","- Al12 O24 Sr6 -","6","1","","Fukuda, K.; Fukushima, K.","Crystal structure of hexagonal SrAl2O4 at 1073 K","Journal of Sold State Chemistry","2005","178","","2709","2714","","","","","","","","","","","","","","","","","","","","","","has coordinates","214558","2020-10-21","18:00:00",""
"1552440","9.4139","0.0001","9.4139","0.0001","5.1807","0.0001","90","","90","","120","","397.611","0.01","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- I6 Li2 Mg2 O18 -","- I6 Li2 Mg2 O18 -","- I6 Li2 Mg2 O18 -","1","0.166667","","Chen, Jin; Hu, Chun-Li; Mao, Fei Fei; Zhang, Xiao-Han; Yang, Bing-Ping; Mao, Jiang-Gao","LiMg(IO3)3: An excellent SHG material designed by single-site aliovalent substitution","Chemical Science","2019","","","","","10.1039/C9SC04832D","","","0.71073","MoKα","","0.0133","0.0127","","","0.0298","0.0301","","","","","","1.108","","","","has coordinates","219375","2020-10-21","18:00:00",""
"1557437","23.302","0.005","23.302","0.005","21.347","0.004","90","0.03","90","0.03","120","0.03","10038","5","173","2","173","2","","","","","","","","8","P 63","P 6c","173","","","","- C172 H168 Ca F21 N24 O30 Rh6 S7 -","- C169 H168 Ca F12 N24 O21 Rh6 S4 -","- C338 H336 Ca2 F24 N48 O42 Rh12 S8 -","2","0.333333","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","s-Block metal ions induce structural transformations between figure-eight and double trefoil knots","Chemical Science","2020","11","5","1226","1232","10.1039/C9SC05796J","","","1.34138","GaKα","","0.0576","0.0545","","","0.1565","0.1621","","","","","","1.068","","","","has coordinates,has disorder","257310","2020-10-21","18:00:00",""
"1557439","22.673","0.005","22.673","0.005","20.482","0.004","90","0.03","90","0.03","120","0.03","9118","4","173","2","173","2","","","","","","","","8","P 63","P 6c","173","","","","- C170 H185 F24 N24 O34.5 Rh6 S8 Sr -","- C170 H168 F24 N24 O34.5 Rh6 S8 Sr -","- C340 H336 F48 N48 O69 Rh12 S16 Sr2 -","2","0.333333","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","s-Block metal ions induce structural transformations between figure-eight and double trefoil knots","Chemical Science","2020","11","5","1226","1232","10.1039/C9SC05796J","","","1.34138","GaKα","","0.1205","0.0868","","","0.1834","0.2097","","","","","","1.053","","","","has coordinates","257310","2020-10-21","18:00:00",""
"1557440","22.564","0.003","22.564","0.003","20.375","0.003","90","","90","","120","","8984","2","173","2","173","2","","","","","","","","8","P 63","P 6c","173","","","","- C173 H189 F24 N24 O37.5 Rh6 S8 Sr -","- C173 H168 F24 N24 O34.5 Rh6 S8 Sr -","- C346 H336 F48 N48 O69 Rh12 S16 Sr2 -","2","0.333333","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","s-Block metal ions induce structural transformations between figure-eight and double trefoil knots","Chemical Science","2020","11","5","1226","1232","10.1039/C9SC05796J","","","1.34138","GaKα","","0.1109","0.1065","","","0.3181","0.3222","","","","","","1.075","","","","has coordinates","257310","2020-10-21","18:00:00",""
"1557894","21.5791","0.0002","21.5791","0.0002","8.5971","0.0001","90","","90","","120","","3466.96","0.06","100","0.1","100","0.1","","","","","","","","4","P 63","P 6c","173","","","","- C20 H25 Cl O6 -","- C20 H25 Cl O6 -","- C120 H150 Cl6 O36 -","6","1","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","x-ray","1.54184","CuKα","","0.0276","0.0264","","","0.069","0.0697","","","","","","1.091","","","","has coordinates","251109","2020-10-21","18:00:00",""
"1560462","10.3179","0.0007","10.3179","0.0007","5.8107","0.0004","90","","90","","120","","535.72","0.06","296","2","296","2","","","","","","","","4","P 63","P 6c","173","lanthanum cobalt germanium sulfide (3/0.5/1/7)","lanthanum cobalt germanium sulfide (3/0.5/1/7)","","- Co0.5 Ge La3 S7 -","- Co0.5 Ge La3 S7 -","- Co Ge2 La6 S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0265","0.0242","","","0.0438","0.0447","","","","","","1.1","","","","has coordinates","262057","2021-02-18","09:49:21",""
"1560463","10.206","0.003","10.206","0.003","5.7906","0.0017","90","","90","","120","","522.4","0.3","296","2","296","2","","","","","","","","4","P 63","P 6c","173","cerium cobalt germanium sulphide (3/0.5/1/7)","cerium cobalt germanium sulphide (3/0.5/1/7)","","- Ce3 Co0.5 Ge S7 -","- Ce3 Co0.5 Ge S7 -","- Ce6 Co Ge2 S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0623","0.0431","","","0.0843","0.0922","","","","","","1.084","","","","has coordinates","262058","2021-02-18","09:53:46",""
"1560464","10.1306","0.0006","10.1306","0.0006","5.7785","0.0004","90","","90","","120","","513.59","0.06","296","2","296","2","","","","","","","","4","P 63","P 6c","173","praseodymium cobalt germanium sulphide (3/0.5/1/7)","praseodymium cobalt germanium sulphide (3/0.5/1/7)","","- Co0.5 Ge Pr3 S7 -","- Co0.5 Ge Pr3 S7 -","- Co Ge2 Pr6 S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0257","0.0234","","","0.0464","0.0475","","","","","","1.136","","","","has coordinates","262059","2021-02-18","09:57:16",""
"1560465","10.0775","0.0006","10.0775","0.0006","5.7704","0.0003","90","","90","","120","","507.51","0.05","296","2","296","2","","","","","","","","4","P 63","P 6c","173","neodymium cobalt germanium sulfide (3/0.5/1/7)","neodymium cobalt germanium sulfide (3/0.5/1/7)","","- Co0.5 Ge Nd3 S7 -","- Co0.5 Ge Nd3 S7 -","- Co Ge2 Nd6 S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0224","0.0206","","","0.0429","0.0435","","","","","","1.107","","","","has coordinates","262060","2021-02-18","09:59:59",""
"1560466","9.9742","0.0014","9.9742","0.0014","5.7393","0.0008","90","","90","","120","","494.48","0.12","296","2","296","2","","","","","","","","4","P 63","P 6c","173","samarium cobalt germanium sulfide (3/0.5/1/7)","samarium cobalt germanium sulfide (3/0.5/1/7)","","- Co0.5 Ge S7 Sm3 -","- Co0.5 Ge S7 Sm3 -","- Co Ge2 S14 Sm6 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0234","0.0196","","","0.0327","0.0335","","","","","","1.074","","","","has coordinates","262061","2021-02-18","10:02:35",""
"1560467","10.2983","0.0004","10.2983","0.0004","5.8078","0.0002","90","","90","","120","","533.42","0.03","296","2","296","2","","","","","","","","4","P 63","P 6c","173","lanthanum nickel germanium sulfide (3/0.5/1/7)","lanthanum nickel germanium sulfide (3/0.5/1/7)","","- Ge La3 Ni0.5 S7 -","- Ge La3 Ni0.5 S7 -","- Ge2 La6 Ni S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0233","0.0214","","","0.0398","0.0406","","","","","","1.175","","","","has coordinates","262062","2021-02-18","10:04:45",""
"1560468","10.2052","0.0013","10.2052","0.0013","5.7921","0.0007","90","","90","","120","","522.41","0.11","296","2","296","2","","","","","","","","4","P 63","P 6c","173","cerium nickel germanium sulfide (3/0.5/1/7)","cerium nickel germanium sulfide (3/0.5/1/7)","","- Ce3 Ge Ni0.5 S7 -","- Ce3 Ge Ni0.5 S7 -","- Ce6 Ge2 Ni S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0436","0.0328","","","0.0607","0.0639","","","","","","1.068","","","","has coordinates","262063","2021-02-18","10:06:53",""
"1560469","10.1303","0.0004","10.1303","0.0004","5.7752","0.0002","90","","90","","120","","513.27","0.03","296","2","296","2","","","","","","","","4","P 63","P 6c","173","praseodymium nickel germanium sulfide (3/0.5/1/7)","praseodymium nickel germanium sulfide (3/0.5/1/7)","","- Ge Ni0.5 Pr3 S7 -","- Ge Ni0.5 Pr3 S7 -","- Ge2 Ni Pr6 S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0209","0.0195","","","0.0394","0.04","","","","","","1.088","","","","has coordinates","262064","2021-02-18","10:09:15",""
"1560470","10.076","0.0003","10.076","0.0003","5.7605","0.0002","90","","90","","120","","506.49","0.03","296","2","296","2","","","","","","","","4","P 63","P 6c","173","neodymium nickel germanium sulfide (3/0.5/1/7)","neodymium nickel germanium sulfide (3/0.5/1/7)","","- Ge Nd3 Ni0.5 S7 -","- Ge Nd3 Ni0.5 S7 -","- Ge2 Nd6 Ni S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0131","0.0129","","","0.0298","0.0299","","","","","","1.104","","","","has coordinates","262065","2021-02-18","10:14:42",""
"1560471","9.9642","0.0008","9.9642","0.0008","5.7436","0.0005","90","","90","","120","","493.86","0.07","296","2","296","2","","","","","","","","4","P 63","P 6c","173","samarium nickel germanium sulfide (3/0.5/1/7)","samarium nickel germanium sulfide (3/0.5/1/7)","","- Ge Ni0.5 S7 Sm3 -","- Ge Ni0.5 S7 Sm3 -","- Ge2 Ni S14 Sm6 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0361","0.0301","","","0.0581","0.0599","","","","","","1.137","","","","has coordinates","262066","2021-02-18","10:18:05",""
"1560472","9.7891","0.0003","9.7891","0.0003","5.684","0.0004","90","","90","","120","","471.7","0.04","296","2","296","2","","","","","","","","4","P 63","P 6c","173","yttrium palladium silicon sulfide (3/0.5/1/7)","yttrium palladium silicon sulfide (3/0.5/1/7)","","- Pd0.5 S7 Si Y3 -","- Pd0.5 S7 Si Y3 -","- Pd S14 Si2 Y6 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0542","0.0413","","","0.102","0.1084","","","","","","1.117","","","","has coordinates","262067","2021-02-18","10:20:33",""
"1561360","10.1772","0.0008","10.1772","0.0008","6.0648","0.0005","90","","90","","120","","544.01","0.08","296","2","296","2","","","","","","","","3","P 63","P 6c","173","lanthanum gallium sulfide (3/1.67/7)","lanthanum gallium sulfide (3/1.67/7)","","- Ga1.67 La3 S7 -","- Ga1.667 La3 S7 -","- Ga3.334 La6 S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Rudyk, Brent W.; Lin, Xinsong; Nilges, Tom; Mar, Arthur","Metal ion displacements in noncentrosymmetric chalcogenides La3Ga1.67S7, La3Ag0.6GaCh7 (Ch=S, Se), and La3MGaSe7 (M=Zn, Cd)","Journal of Solid State Chemistry","2016","243","","221","231","10.1016/j.jssc.2016.08.031","","","0.71073","MoKα","","0.022","0.0204","","","0.0441","0.0448","","","","","","1.124","","","","has coordinates","263438","2021-03-30","08:54:49",""
"1561361","10.229","0.0008","10.229","0.0008","6.0529","0.0005","90","","90","","120","","548.48","0.08","296","2","296","2","","","","","","","","4","P 63","P 6c","173","lanthanum silver gallium sulphide (3/0.6/1/7)","lanthanum silver gallium sulphide (3/0.6/1/7)","","- Ag0.6 Ga La3 S7 -","- Ag0.6 Ga La3 S7 -","- Ag1.2 Ga2 La6 S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Rudyk, Brent W.; Lin, Xinsong; Nilges, Tom; Mar, Arthur","Metal ion displacements in noncentrosymmetric chalcogenides La3Ga1.67S7, La3Ag0.6GaCh7 (Ch=S, Se), and La3MGaSe7 (M=Zn, Cd)","Journal of Solid State Chemistry","2016","243","","221","231","10.1016/j.jssc.2016.08.031","","","0.71073","MoKα","","0.0184","0.0175","","","0.0391","0.0397","","","","","","1.093","","","","has coordinates","263439","2021-03-30","08:56:29",""
"1561362","10.5879","0.0017","10.5879","0.0017","6.3766","0.001","90","","90","","120","","619.07","0.17","296","2","296","2","","","","","","","","4","P 63","P 6c","173","lanthanum silver gallium selenide (3/0.6/1/7)","lanthanum silver gallium selenide (3/0.6/1/7)","","- Ag0.6 Ga La3 Se7 -","- Ag0.6 Ga La3 Se7 -","- Ag1.2 Ga2 La6 Se14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Rudyk, Brent W.; Lin, Xinsong; Nilges, Tom; Mar, Arthur","Metal ion displacements in noncentrosymmetric chalcogenides La3Ga1.67S7, La3Ag0.6GaCh7 (Ch=S, Se), and La3MGaSe7 (M=Zn, Cd)","Journal of Solid State Chemistry","2016","243","","221","231","10.1016/j.jssc.2016.08.031","","","0.71073","MoKα","","0.0644","0.0438","","","0.1028","0.1103","","","","","","1.057","","","","has coordinates","263440","2021-03-30","08:58:04",""
"1561363","10.63","0.009","10.63","0.009","6.374","0.005","90","","90","","120","","623.7","0.9","296","2","296","2","","","","","","","","4","P 63","P 6c","173","lanthanum zinc gallium selenide (3/1/1/7)","lanthanum zinc gallium selenide (3/1/1/7)","","- Ga La3 Se7 Zn -","- Ga La3 Se7 Zn -","- Ga2 La6 Se14 Zn2 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Rudyk, Brent W.; Lin, Xinsong; Nilges, Tom; Mar, Arthur","Metal ion displacements in noncentrosymmetric chalcogenides La3Ga1.67S7, La3Ag0.6GaCh7 (Ch=S, Se), and La3MGaSe7 (M=Zn, Cd)","Journal of Solid State Chemistry","2016","243","","221","231","10.1016/j.jssc.2016.08.031","","","0.71073","MoKα","","0.0505","0.0405","","","0.0937","0.0988","","","","","","1.083","","","","has coordinates","263441","2021-03-30","08:59:12",""
"1561364","10.606","0.005","10.606","0.005","6.38","0.003","90","","90","","120","","621.5","0.5","296","2","296","2","","","","","","","","4","P 63","P 6c","173","lanthanum cadmium gallium selenide (3/1/1/7)","lanthanum cadmium gallium selenide (3/1/1/7)","","- Cd Ga La3 Se7 -","- Cd Ga La3 Se7 -","- Cd2 Ga2 La6 Se14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Rudyk, Brent W.; Lin, Xinsong; Nilges, Tom; Mar, Arthur","Metal ion displacements in noncentrosymmetric chalcogenides La3Ga1.67S7, La3Ag0.6GaCh7 (Ch=S, Se), and La3MGaSe7 (M=Zn, Cd)","Journal of Solid State Chemistry","2016","243","","221","231","10.1016/j.jssc.2016.08.031","","","0.71073","MoKα","","0.0586","0.0458","","","0.127","0.1361","","","","","","1.075","","","","has coordinates","263442","2021-03-30","09:00:57",""
"1561845","10.626","0.01","10.626","0.01","6.392","0.006","90","","90","","120","","625","1","296","2","296","2","","","","","","","","4","P 63","P 6c","173","lanthanum copper gallium selenide (3/1/1/7)","lanthanum copper gallium selenide (3/1/1/7)","","- Cu Ga La3 Se7 -","- Cu Ga La3 Se7 -","- Cu2 Ga2 La6 Se14 -","2","0.333333","","Iyer, Abishek K.; Rudyk, Brent W.; Lin, Xinsong; Singh, Harpreet; Sharma, Arzoo Z.; Wiebe, Christopher R.; Mar, Arthur","Noncentrosymmetric rare-earth copper gallium chalcogenides RE3CuGaCh7 (RE=La‒Nd; Ch=S, Se): An unexpected combination","Journal of Solid State Chemistry","2015","229","","150","159","10.1016/j.jssc.2015.05.016","","","0.71073","MoKα","","0.0473","0.0394","","","0.0914","0.0953","","","","","","1.065","","","","has coordinates","264238","2021-04-16","08:20:34",""
"1561846","10.6007","0.0006","10.6007","0.0006","6.3775","0.0004","90","","90","","120","","620.65","0.06","296","2","296","2","","","","","","","","4","P 63","P 6c","173","cerium copper gallium selenide (3/1/1/7)","cerium copper gallium selenide (3/1/1/7)","","- Ce3 Cu Ga Se7 -","- Ce3 Cu Ga Se7 -","- Ce6 Cu2 Ga2 Se14 -","2","0.333333","","Iyer, Abishek K.; Rudyk, Brent W.; Lin, Xinsong; Singh, Harpreet; Sharma, Arzoo Z.; Wiebe, Christopher R.; Mar, Arthur","Noncentrosymmetric rare-earth copper gallium chalcogenides RE3CuGaCh7 (RE=La‒Nd; Ch=S, Se): An unexpected combination","Journal of Solid State Chemistry","2015","229","","150","159","10.1016/j.jssc.2015.05.016","","","0.71073","MoKα","","0.0379","0.0304","","","0.0675","0.0706","","","","","","1.055","","","","has coordinates","264238","2021-04-16","08:20:36",""
"1561847","10.4181","0.0008","10.4181","0.0008","6.3743","0.0005","90","","90","","120","","599.16","0.08","296","2","296","2","","","","","","","","4","P 63","P 6c","173","praseodymium copper gallium selenide (3/1/1/7)","praseodymium copper gallium selenide (3/1/1/7)","","- Cu Ga Pr3 Se7 -","- Cu Ga Pr3 Se7 -","- Cu2 Ga2 Pr6 Se14 -","2","0.333333","","Iyer, Abishek K.; Rudyk, Brent W.; Lin, Xinsong; Singh, Harpreet; Sharma, Arzoo Z.; Wiebe, Christopher R.; Mar, Arthur","Noncentrosymmetric rare-earth copper gallium chalcogenides RE3CuGaCh7 (RE=La‒Nd; Ch=S, Se): An unexpected combination","Journal of Solid State Chemistry","2015","229","","150","159","10.1016/j.jssc.2015.05.016","","","0.71073","MoKα","","0.0318","0.0298","","","0.0685","0.0694","","","","","","1.11","","","","has coordinates","264238","2021-04-16","08:20:36",""
"1561848","10.3426","0.0009","10.3426","0.0009","6.3869","0.0006","90","","90","","120","","591.67","0.09","296","2","296","2","","","","","","","","4","P 63","P 6c","173","neodymium copper gallium selenide (3/1/1/7)","neodymium copper gallium selenide (3/1/1/7)","","- Cu Ga Nd3 Se7 -","- Cu Ga Nd3 Se7 -","- Cu2 Ga2 Nd6 Se14 -","2","0.333333","","Iyer, Abishek K.; Rudyk, Brent W.; Lin, Xinsong; Singh, Harpreet; Sharma, Arzoo Z.; Wiebe, Christopher R.; Mar, Arthur","Noncentrosymmetric rare-earth copper gallium chalcogenides RE3CuGaCh7 (RE=La‒Nd; Ch=S, Se): An unexpected combination","Journal of Solid State Chemistry","2015","229","","150","159","10.1016/j.jssc.2015.05.016","","","0.71073","MoKα","","0.0358","0.03","","","0.0612","0.0631","","","","","","1.126","","","","has coordinates","264238","2021-04-16","08:20:36",""
"1561907","10.37","0.003","10.37","0.003","5.7549","0.0019","90","","90","","120","","536","0.3","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- La3 S7 Sb0.33 Si -","- La3 S7 Sb0.33 Si -","- La6 S14 Sb0.66 Si2 -","2","0.333333","","Zhao, Hua-Jun","Syntheses, crystal structures, and NLO properties of the quaternary sulfides RE3Sb0.33SiS7 (RE=La, Pr)","Journal of Solid State Chemistry","2015","227","","5","9","10.1016/j.jssc.2015.03.010","","","0.71073","MoKα","","0.0274","0.0271","","","0.0757","0.0758","","","","","","1.221","","","","has coordinates","264301","2021-04-19","08:18:23",""
"1561908","10.224","0.004","10.224","0.004","5.711","0.003","90","","90","","120","","517","0.4","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Pr3 S7 Sb0.33 Si -","- Pr3 S7 Sb0.33 Si -","- Pr6 S14 Sb0.66 Si2 -","2","0.333333","","Zhao, Hua-Jun","Syntheses, crystal structures, and NLO properties of the quaternary sulfides RE3Sb0.33SiS7 (RE=La, Pr)","Journal of Solid State Chemistry","2015","227","","5","9","10.1016/j.jssc.2015.03.010","","","0.71073","MoKα","","0.0211","0.0192","","","0.0435","0.0566","","","","","","1.248","","","","has coordinates","264301","2021-04-19","08:18:23",""
"1562477","10.1795","0.0016","10.1795","0.0016","6.0217","0.001","90","","90","","120","","540.38","0.15","173","2","173","2","","","","","","","","4","P 63","P 6c","173","lanthanum iron gallium sulphide (3/1/1/7)","lanthanum iron gallium sulphide (3/1/1/7)","","- Fe Ga La3 S7 -","- Fe Ga La3 S7 -","- Fe2 Ga2 La6 S14 -","2","0.333333","","Rudyk, Brent W.; Stoyko, Stanislav S.; Oliynyk, Anton O.; Mar, Arthur","Rare-earth transition-metal gallium chalcogenides RE3MGaCh7 (M=Fe, Co, Ni; Ch=S, Se)","Journal of Solid State Chemistry","2014","210","1","79","88","10.1016/j.jssc.2013.11.003","","","0.71073","MoKα","","0.0241","0.0192","","","0.0308","0.0316","","","","","","1.047","","","","has coordinates","265092","2021-05-11","07:54:23",""
"1562478","9.9846","0.0004","9.9846","0.0004","6.0303","0.0005","90","","90","","120","","520.63","0.05","173","2","173","2","","","","","","","","4","P 63","P 6c","173","praseodymium iron gallium sulphide (3/1/1/7)","praseodymium iron gallium sulphide (3/1/1/7)","","- Fe Ga Pr3 S7 -","- Fe Ga Pr3 S7 -","- Fe2 Ga2 Pr6 S14 -","2","0.333333","","Rudyk, Brent W.; Stoyko, Stanislav S.; Oliynyk, Anton O.; Mar, Arthur","Rare-earth transition-metal gallium chalcogenides RE3MGaCh7 (M=Fe, Co, Ni; Ch=S, Se)","Journal of Solid State Chemistry","2014","210","1","79","88","10.1016/j.jssc.2013.11.003","","","0.71073","MoKα","","0.0188","0.0177","","","0.0429","0.0432","","","","","","1.107","","","","has coordinates","265092","2021-05-11","07:54:34",""
"1562479","9.6411","0.0013","9.6411","0.0013","6.1024","0.0008","90","","90","","120","","491.23","0.11","173","2","173","2","","","","","","","","4","P 63","P 6c","173","terbium iron gallium sulphide (3/1/1/7)","terbium iron gallium sulphide (3/1/1/7)","","- Fe Ga S7 Tb3 -","- Fe Ga S7 Tb3 -","- Fe2 Ga2 S14 Tb6 -","2","0.333333","","Rudyk, Brent W.; Stoyko, Stanislav S.; Oliynyk, Anton O.; Mar, Arthur","Rare-earth transition-metal gallium chalcogenides RE3MGaCh7 (M=Fe, Co, Ni; Ch=S, Se)","Journal of Solid State Chemistry","2014","210","1","79","88","10.1016/j.jssc.2013.11.003","","","0.71073","MoKα","","0.0209","0.0181","","","0.0371","0.0383","","","","","","1.055","","","","has coordinates","265092","2021-05-11","07:54:34",""
"1562480","10.1691","0.0013","10.1691","0.0013","6.008","0.0008","90","","90","","120","","538.05","0.12","173","2","173","2","","","","","","","","4","P 63","P 6c","173","lanthanum cobalt gallium sulphide (3/1/1/7)","lanthanum cobalt gallium sulphide (3/1/1/7)","","- Co Ga La3 S7 -","- Co Ga La3 S7 -","- Co2 Ga2 La6 S14 -","2","0.333333","","Rudyk, Brent W.; Stoyko, Stanislav S.; Oliynyk, Anton O.; Mar, Arthur","Rare-earth transition-metal gallium chalcogenides RE3MGaCh7 (M=Fe, Co, Ni; Ch=S, Se)","Journal of Solid State Chemistry","2014","210","1","79","88","10.1016/j.jssc.2013.11.003","","","0.71073","MoKα","","0.0176","0.0151","","","0.0297","0.0303","","","","","","1.06","","","","has coordinates","265092","2021-05-11","07:54:34",""
"1562481","9.6216","0.001","9.6216","0.001","6.0972","0.0006","90","","90","","120","","488.83","0.09","173","2","173","2","","","","","","","","4","P 63","P 6c","173","terbium cobalt gallium sulphide (3/1/1/7)","terbium cobalt gallium sulphide (3/1/1/7)","","- Co Ga S7 Tb3 -","- Co Ga S7 Tb3 -","- Co2 Ga2 S14 Tb6 -","2","0.333333","","Rudyk, Brent W.; Stoyko, Stanislav S.; Oliynyk, Anton O.; Mar, Arthur","Rare-earth transition-metal gallium chalcogenides RE3MGaCh7 (M=Fe, Co, Ni; Ch=S, Se)","Journal of Solid State Chemistry","2014","210","1","79","88","10.1016/j.jssc.2013.11.003","","","0.71073","MoKα","","0.0448","0.0447","","","0.1254","0.1254","","","","","","1.477","","","","has coordinates","265092","2021-05-11","07:54:34",""
"1562499","10.1276","0.0005","10.1276","0.0005","6.2864","0.0003","90","","90","","120","","558.4","0.05","173","2","173","2","","","","","","","","4","P 63","P 6c","173","lanthanum iron indium sulphide (3/1/1/7)","lanthanum iron indium sulphide (3/1/1/7)","","- Fe In La3 S7 -","- Fe In La3 S7 -","- Fe2 In2 La6 S14 -","2","0.333333","","Rudyk, Brent W.; Stoyko, Stanislav S.; Mar, Arthur","Rare-earth transition-metal indium sulphides RE3FeInS7 (RE=La‒Pr), RE3CoInS7 (RE=La, Ce), and La3NiInS7","Journal of Solid State Chemistry","2013","208","","78","85","10.1016/j.jssc.2013.09.035","","","0.71073","MoKα","","0.0172","0.016","","","0.0348","0.0352","","","","","","1.05","","","","has coordinates","265101","2021-05-11","09:37:15",""
"1562500","10.028","0.0008","10.028","0.0008","6.272","0.0005","90","","90","","120","","546.22","0.08","173","2","173","2","","","","","","","","4","P 63","P 6c","173","cerium iron indium sulphide (3/1/1/7)","cerium iron indium sulphide (3/1/1/7)","","- Ce3 Fe In S7 -","- Ce3 Fe In S7 -","- Ce6 Fe2 In2 S14 -","2","0.333333","","Rudyk, Brent W.; Stoyko, Stanislav S.; Mar, Arthur","Rare-earth transition-metal indium sulphides RE3FeInS7 (RE=La‒Pr), RE3CoInS7 (RE=La, Ce), and La3NiInS7","Journal of Solid State Chemistry","2013","208","","78","85","10.1016/j.jssc.2013.09.035","","","0.71073","MoKα","","0.0149","0.0143","","","0.0333","0.0334","","","","","","1.108","","","","has coordinates","265101","2021-05-11","09:37:22",""
"1562501","9.951","0.0005","9.951","0.0005","6.2593","0.0003","90","","90","","120","","536.77","0.05","173","2","173","2","","","","","","","","4","P 63","P 6c","173","praseodymium iron indium sulphide (3/1/1/7)","praseodymium iron indium sulphide (3/1/1/7)","","- Fe In Pr3 S7 -","- Fe In Pr3 S7 -","- Fe2 In2 Pr6 S14 -","2","0.333333","","Rudyk, Brent W.; Stoyko, Stanislav S.; Mar, Arthur","Rare-earth transition-metal indium sulphides RE3FeInS7 (RE=La‒Pr), RE3CoInS7 (RE=La, Ce), and La3NiInS7","Journal of Solid State Chemistry","2013","208","","78","85","10.1016/j.jssc.2013.09.035","","","0.71073","MoKα","","0.0178","0.0159","","","0.0345","0.0351","","","","","","1.071","","","","has coordinates","265101","2021-05-11","09:37:24",""
"1562502","10.1307","0.0006","10.1307","0.0006","6.2762","0.0004","90","","90","","120","","557.84","0.06","173","2","173","2","","","","","","","","4","P 63","P 6c","173","lanthanum cobalt indium sulphide (3/1/1/7)","lanthanum cobalt indium sulphide (3/1/1/7)","","- Co In La3 S7 -","- Co In La3 S7 -","- Co2 In2 La6 S14 -","2","0.333333","","Rudyk, Brent W.; Stoyko, Stanislav S.; Mar, Arthur","Rare-earth transition-metal indium sulphides RE3FeInS7 (RE=La‒Pr), RE3CoInS7 (RE=La, Ce), and La3NiInS7","Journal of Solid State Chemistry","2013","208","","78","85","10.1016/j.jssc.2013.09.035","","","0.71073","MoKα","","0.0183","0.0171","","","0.033","0.0334","","","","","","1.07","","","","has coordinates","265101","2021-05-11","09:37:28",""
"1562503","10.147","0.0012","10.147","0.0012","6.2827","0.0007","90","","90","","120","","560.21","0.11","173","2","173","2","","","","","","","","4","P 63","P 6c","173","lanthanum nickel indium sulphide (3/1/1/7)","lanthanum nickel indium sulphide (3/1/1/7)","","- In La3 Ni S7 -","- In La3 Ni S7 -","- In2 La6 Ni2 S14 -","2","0.333333","","Rudyk, Brent W.; Stoyko, Stanislav S.; Mar, Arthur","Rare-earth transition-metal indium sulphides RE3FeInS7 (RE=La‒Pr), RE3CoInS7 (RE=La, Ce), and La3NiInS7","Journal of Solid State Chemistry","2013","208","","78","85","10.1016/j.jssc.2013.09.035","","","0.71073","MoKα","","0.0154","0.0151","","","0.0353","0.0354","","","","","","1.084","","","","has coordinates","265101","2021-05-11","09:37:29",""
"1562645","9.7876","0.0002","9.7876","0.0002","6.0989","0.0002","90","","90","","120","","505.98","0.02","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Fe Ga S7 Sm3 -","- Fe Ga S7 Sm3 -","- Fe2 Ga2 S14 Sm6 -","2","0.333333","","Yin, Wenlong; Wang, Wendong; Kang, Lei; Lin, Zheshuai; Feng, Kai; Shi, Youguo; Hao, Wenyu; Yao, Jiyong; Wu, Yicheng","Ln3FeGaQ7: A new series of transition-metal rare-earth chalcogenides","Journal of Solid State Chemistry","2013","202","","269","275","10.1016/j.jssc.2013.03.029","","","0.71073","MoKα","","0.0207","0.0203","","","0.0462","0.0463","","","","","","1.25","","","","has coordinates","265299","2021-05-18","08:48:31",""
"1562646","9.6933","0.0003","9.6933","0.0003","6.1281","0.0003","90","","90","","120","","498.65","0.03","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Fe Ga Gd3 S7 -","- Fe Ga Gd3 S7 -","- Fe2 Ga2 Gd6 S14 -","2","0.333333","","Yin, Wenlong; Wang, Wendong; Kang, Lei; Lin, Zheshuai; Feng, Kai; Shi, Youguo; Hao, Wenyu; Yao, Jiyong; Wu, Yicheng","Ln3FeGaQ7: A new series of transition-metal rare-earth chalcogenides","Journal of Solid State Chemistry","2013","202","","269","275","10.1016/j.jssc.2013.03.029","","","0.71073","MoKα","","0.0216","0.021","","","0.0489","0.0491","","","","","","1.269","","","","has coordinates","265299","2021-05-18","08:48:36",""
"1562647","9.9041","0.0002","9.9041","0.0002","6.0722","0.0002","90","","90","","120","","515.83","0.02","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Fe Ga Nd3 S7 -","- Fe Ga Nd3 S7 -","- Fe2 Ga2 Nd6 S14 -","2","0.333333","","Yin, Wenlong; Wang, Wendong; Kang, Lei; Lin, Zheshuai; Feng, Kai; Shi, Youguo; Hao, Wenyu; Yao, Jiyong; Wu, Yicheng","Ln3FeGaQ7: A new series of transition-metal rare-earth chalcogenides","Journal of Solid State Chemistry","2013","202","","269","275","10.1016/j.jssc.2013.03.029","","","0.71073","MoKα","","0.0331","0.0322","","","0.0837","0.0842","","","","","","1.245","","","","has coordinates","265299","2021-05-18","08:48:45",""
"1562648","9.5946","0.0002","9.5946","0.0002","6.1114","0.0002","90","","90","","120","","487.22","0.02","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Dy3 Fe Ga S7 -","- Dy3 Fe Ga S7 -","- Dy6 Fe2 Ga2 S14 -","2","0.333333","","Yin, Wenlong; Wang, Wendong; Kang, Lei; Lin, Zheshuai; Feng, Kai; Shi, Youguo; Hao, Wenyu; Yao, Jiyong; Wu, Yicheng","Ln3FeGaQ7: A new series of transition-metal rare-earth chalcogenides","Journal of Solid State Chemistry","2013","202","","269","275","10.1016/j.jssc.2013.03.029","","","0.71073","MoKα","","0.0254","0.0238","","","0.0475","0.0481","","","","","","1.101","","","","has coordinates","265299","2021-05-18","08:48:48",""
"1562649","9.9956","0.0002","9.9956","0.0002","6.398","0.0002","90","","90","","120","","553.6","0.02","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Dy3 Fe Ga Se7 -","- Dy3 Fe Ga Se7 -","- Dy6 Fe2 Ga2 Se14 -","2","0.333333","","Yin, Wenlong; Wang, Wendong; Kang, Lei; Lin, Zheshuai; Feng, Kai; Shi, Youguo; Hao, Wenyu; Yao, Jiyong; Wu, Yicheng","Ln3FeGaQ7: A new series of transition-metal rare-earth chalcogenides","Journal of Solid State Chemistry","2013","202","","269","275","10.1016/j.jssc.2013.03.029","","","0.71073","MoKα","","0.0386","0.0378","","","0.0921","0.0933","","","","","","1.144","","","","has coordinates","265299","2021-05-18","08:48:57",""
"1562650","10.2453","0.0003","10.2453","0.0003","6.4076","0.0002","90","","90","","120","","582.47","0.03","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Fe Ga Nd3 Se7 -","- Fe Ga Nd3 Se7 -","- Fe2 Ga2 Nd6 Se14 -","2","0.333333","","Yin, Wenlong; Wang, Wendong; Kang, Lei; Lin, Zheshuai; Feng, Kai; Shi, Youguo; Hao, Wenyu; Yao, Jiyong; Wu, Yicheng","Ln3FeGaQ7: A new series of transition-metal rare-earth chalcogenides","Journal of Solid State Chemistry","2013","202","","269","275","10.1016/j.jssc.2013.03.029","","","0.71073","MoKα","","0.0416","0.0412","","","0.108","0.1082","","","","","","1.191","","","","has coordinates","265299","2021-05-18","08:49:07",""
"1562651","10.0762","0.0002","10.0762","0.0002","6.4265","0.0002","90","","90","","120","","565.07","0.02","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Fe Ga Gd3 Se7 -","- Fe Ga Gd3 Se7 -","- Fe2 Ga2 Gd6 Se14 -","2","0.333333","","Yin, Wenlong; Wang, Wendong; Kang, Lei; Lin, Zheshuai; Feng, Kai; Shi, Youguo; Hao, Wenyu; Yao, Jiyong; Wu, Yicheng","Ln3FeGaQ7: A new series of transition-metal rare-earth chalcogenides","Journal of Solid State Chemistry","2013","202","","269","275","10.1016/j.jssc.2013.03.029","","","0.71073","MoKα","","0.0394","0.0386","","","0.09","0.0905","","","","","","1.236","","","","has coordinates","265299","2021-05-18","08:49:17",""
"1563308","9.4044","0.0002","9.4044","","5.8855","0.0003","90","","90","","120","","450.79","0.02","298","","298","","","","","","","","","3","P 63","P 6c","173","","Dysprosium thioborate","","- B3.33 Dy6 S14 -","- B3.3334 Dy6 S14 -","- B3.3334 Dy6 S14 -","1","0.166667","","Borna, Marija; Hunger, Jens; Ormeci, Alim; Zahn, Dirk; Burkhardt, Ulrich; Carrillo-Cabrera, Wilder; Cardoso-Gil, Raul; Kniep, Rüdiger","High-pressure high-temperature synthesis and crystal structure of the isotypic rare earth (RE)‒thioborate‒sulfides RE9[BS3]2[BS4]3S3, (RE=Dy‒Lu)","Journal of Solid State Chemistry","2011","184","2","296","303","10.1016/j.jssc.2010.11.004","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.0989","","1","","","","","","","has coordinates","266362","2021-06-10","09:42:18",""
"1563309","9.3279","0.0012","9.3279","","5.8793","0.0008","90","","90","","120","","443.02","0.08","298","","298","","","","","","","","","3","P 63","P 6c","173","","Erbium thioborate","","- B3.33 Er6 S14 -","- B3.33334 Er6 S14 -","- B3.33334 Er6 S14 -","1","0.166667","","Borna, Marija; Hunger, Jens; Ormeci, Alim; Zahn, Dirk; Burkhardt, Ulrich; Carrillo-Cabrera, Wilder; Cardoso-Gil, Raul; Kniep, Rüdiger","High-pressure high-temperature synthesis and crystal structure of the isotypic rare earth (RE)‒thioborate‒sulfides RE9[BS3]2[BS4]3S3, (RE=Dy‒Lu)","Journal of Solid State Chemistry","2011","184","2","296","303","10.1016/j.jssc.2010.11.004","powder diffraction","x-ray","1.54061","CuKα~1~","","","","","","","","0.1372","","2.08","","","","","","","has coordinates","266362","2021-06-10","09:42:21",""
"1563310","9.3703","0.0001","9.3703","","5.8826","0.0001","90","","90","","120","","447.308","0.009","298","","298","","","","","","","","","3","P 63","P 6c","173","","Holmium thioborate","","- B3.33 Ho6 S14 -","- B3.33334 Ho6 S14 -","- B3.33334 Ho6 S14 -","1","0.166667","","Borna, Marija; Hunger, Jens; Ormeci, Alim; Zahn, Dirk; Burkhardt, Ulrich; Carrillo-Cabrera, Wilder; Cardoso-Gil, Raul; Kniep, Rüdiger","High-pressure high-temperature synthesis and crystal structure of the isotypic rare earth (RE)‒thioborate‒sulfides RE9[BS3]2[BS4]3S3, (RE=Dy‒Lu)","Journal of Solid State Chemistry","2011","184","2","296","303","10.1016/j.jssc.2010.11.004","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.06374","","1.74","","","","","","","has coordinates","266362","2021-06-10","09:42:22",""
"1563311","9.2162","0.0003","9.2162","","5.8911","0.0003","90","","90","","120","","433.34","0.03","298","","298","","","","","","","","","3","P 63","P 6c","173","","Lutetium thioborate","","- B3.33 Lu6 S14 -","- B3.33334 Lu6 S14 -","- B3.33334 Lu6 S14 -","1","0.166667","","Borna, Marija; Hunger, Jens; Ormeci, Alim; Zahn, Dirk; Burkhardt, Ulrich; Carrillo-Cabrera, Wilder; Cardoso-Gil, Raul; Kniep, Rüdiger","High-pressure high-temperature synthesis and crystal structure of the isotypic rare earth (RE)‒thioborate‒sulfides RE9[BS3]2[BS4]3S3, (RE=Dy‒Lu)","Journal of Solid State Chemistry","2011","184","2","296","303","10.1016/j.jssc.2010.11.004","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.08719","","1.26","","","","","","","has coordinates","266362","2021-06-10","09:42:22",""
"1563312","9.2869","0.0003","9.2869","","5.8781","0.0003","90","","90","","120","","439.05","0.03","298","","298","","","","","","","","","3","P 63","P 6c","173","","Thulium thioborate","","- B3.33 S14 Tm6 -","- B3.33334 S14 Tm6 -","- B3.33334 S14 Tm6 -","1","0.166667","","Borna, Marija; Hunger, Jens; Ormeci, Alim; Zahn, Dirk; Burkhardt, Ulrich; Carrillo-Cabrera, Wilder; Cardoso-Gil, Raul; Kniep, Rüdiger","High-pressure high-temperature synthesis and crystal structure of the isotypic rare earth (RE)‒thioborate‒sulfides RE9[BS3]2[BS4]3S3, (RE=Dy‒Lu)","Journal of Solid State Chemistry","2011","184","2","296","303","10.1016/j.jssc.2010.11.004","powder diffraction","x-ray","1.54059","CuKα~1~","","","","","","","","0.02413","","1.58","","","","","","","has coordinates","266362","2021-06-10","09:42:22",""
"1563313","9.2514","0.0005","9.2514","","5.8805","0.0006","90","","90","","120","","435.87","0.05","298","","298","","","","","","","","","3","P 63","P 6c","173","","Ytterbium thioborate","","- B3.33 S14 Yb6 -","- B3.3334 S14 Yb6 -","- B3.3334 S14 Yb6 -","1","0.166667","","Borna, Marija; Hunger, Jens; Ormeci, Alim; Zahn, Dirk; Burkhardt, Ulrich; Carrillo-Cabrera, Wilder; Cardoso-Gil, Raul; Kniep, Rüdiger","High-pressure high-temperature synthesis and crystal structure of the isotypic rare earth (RE)‒thioborate‒sulfides RE9[BS3]2[BS4]3S3, (RE=Dy‒Lu)","Journal of Solid State Chemistry","2011","184","2","296","303","10.1016/j.jssc.2010.11.004","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.0289","","1.82","","","","","","","has coordinates","266362","2021-06-10","09:42:25",""
"1563384","10.3919","0.0015","10.3919","0.0015","5.7215","0.0011","90","","90","","120","","535.09","0.15","290","","290","","","","","","","","","5","P 63","P 6c","173","","","","- Al3 B4 Bi Cd3 O15 -","- Al3 B4 Bi Cd3 O15 -","- Al6 B8 Bi2 Cd6 O30 -","2","0.333333","","Chen, Xuean; Yin, Hui; Chang, Xinan; Zang, Hegui; Xiao, Weiqiang","Synthesis, crystal structure, spectrum properties, and electronic structure of a novel non-centrosymmetric borate, BiCd3(AlO)3(BO3)4","Journal of Solid State Chemistry","2010","183","12","2910","2916","10.1016/j.jssc.2010.09.030","","","0.71073","MoKα","","0.0319","0.026","","","0.064","0.0667","","","","","","1.064","","","","has coordinates","266426","2021-06-14","07:54:57",""
"1564997","10.297","0.005","10.297","0.005","5.772","0.003","90","","90","","120","","530","0.5","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- La6 S14 Si2 Ti0.62 -","- La6 S14 Si2 Ti0.624 -","- La6 S14 Si2 Ti0.624 -","1","0.166667","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.018","0.0153","","","0.0278","0.0283","","","","","","1.052","","","","has coordinates","270029","2021-10-19","22:24:07",""
"1564998","10.3141","0.0011","10.3141","0.0011","5.7313","0.001","90","","90","","120","","528.02","0.12","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- Co La6 S14 Si2 -","- Co1.008 La6 S14 Si2 -","- Co1.008 La6 S14 Si2 -","1","0.166667","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.0124","0.0113","","","0.0243","0.0245","","","","","","1.128","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1564999","10.4001","0.0019","10.4001","0.0019","6.0178","0.0014","90","","90","","120","","563.7","0.2","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- Au0.97 La3 S7 Sn -","- Au0.9639 La3 S7 Sn -","- Au1.9278 La6 S14 Sn2 -","2","0.333333","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.0179","0.0161","","","0.0244","0.0246","","","","","","1.016","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565000","10.2888","0.0012","10.2888","0.0012","5.7503","0.0009","90","","90","","120","","527.17","0.12","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- Cr0.66 La6 S14 Si2 -","- Cr0.66 La6 S14 Si2 -","- Cr0.66 La6 S14 Si2 -","1","0.166667","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.0269","0.0213","","","0.0336","0.0344","","","","","","1.052","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565001","10.3189","0.0006","10.3189","0.0006","5.7543","0.0004","90","","90","","120","","530.63","0.06","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- La6 S14 Si2 Zr0.52 -","- La6 S14 Si2 Zr0.518 -","- La6 S14 Si2 Zr0.518 -","1","0.166667","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.0327","0.024","","","0.0344","0.0361","","","","","","1.051","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565002","10.2991","0.0003","10.2991","0.0003","5.7389","0.0003","90","","90","","120","","527.18","0.04","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- Fe1.05 La6 S14 Si2 -","- Fe1.048 La6 S14 Si2 -","- Fe1.048 La6 S14 Si2 -","1","0.166667","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.0239","0.0188","","","0.0355","0.0364","","","","","","1.122","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565003","10.2725","0.0006","10.2725","0.0006","5.7287","0.0004","90","","90","","120","","523.53","0.06","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- La6 Ni S14 Si2 -","- La6 Ni0.992 S14 Si2 -","- La6 Ni0.992 S14 Si2 -","1","0.166667","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.0607","0.0365","","","0.0431","0.0465","","","","","","1.046","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565004","10.3188","0.0006","10.3188","0.0006","5.7612","0.0005","90","","90","","120","","531.25","0.06","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- Hf0.48 La6 S14 Si2 -","- Hf0.486 La6 S14 Si2 -","- Hf0.486 La6 S14 Si2 -","1","0.166667","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.0344","0.026","","","0.0415","0.0433","","","","","","1.074","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565005","10.3804","0.0015","10.3804","0.0015","5.825","0.0014","90","","90","","120","","543.57","0.17","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- Au0.96 La3 S7 Si -","- Au0.9528 La3 S7 Si -","- Au1.9056 La6 S14 Si2 -","2","0.333333","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.015","0.0127","","","0.0247","0.025","","","","","","0.967","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565006","10.3231","0.0014","10.3231","0.0014","5.7991","0.0008","90","","90","","120","","535.19","0.13","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- Cu0.99 La3 S7 Si -","- Cu0.984 La3 S7 Si -","- Cu1.968 La6 S14 Si2 -","2","0.333333","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.0126","0.0116","","","0.0226","0.0229","","","","","","1.108","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565007","10.296","0.0004","10.296","0.0004","5.7356","0.0003","90","","90","","120","","526.56","0.04","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- La6 S14 Si2 V0.77 -","- La6 S14 Si2 V0.774 -","- La6 S14 Si2 V0.774 -","1","0.166667","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.0257","0.0204","","","0.0351","0.0361","","","","","","1.047","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565008","10.3905","0.0016","10.3905","0.0016","5.8848","0.001","90","","90","","120","","550.22","0.15","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- Au0.99 Ge La3 S7 -","- Au0.9846 Ge La3 S7 -","- Au1.9692 Ge2 La6 S14 -","2","0.333333","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.0132","0.0128","","","0.0241","0.0242","","","","","","1.09","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565009","10.3337","0.0004","10.3337","0.0004","5.7285","0.0003","90","","90","","120","","529.76","0.04","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- La6 Mn0.98 S14 Si2 -","- La6 Mn0.978 S14 Si2 -","- La6 Mn0.978 S14 Si2 -","1","0.166667","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.036","0.0256","","","0.0418","0.0437","","","","","","1.033","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565010","10.253","0.0003","10.253","0.0003","5.7717","0.0003","90","","90","","120","","525.46","0.03","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- La6 Pt0.53 S14 Si2 -","- La6 Pt0.532 S14 Si2 -","- La6 Pt0.532 S14 Si2 -","1","0.166667","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.0556","0.041","","","0.0851","0.0884","","","","","","1.109","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565011","10.3383","0.0005","10.3383","0.0005","5.7459","0.0004","90","","90","","120","","531.85","0.05","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- La6 S14 Sc0.64 Si2 -","- La6 S14 Sc0.646 Si2 -","- La6 S14 Sc0.646 Si2 -","1","0.166667","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.0232","0.0186","","","0.0314","0.0324","","","","","","1.054","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565012","10.2507","0.0005","10.2507","0.0005","5.749","0.0003","90","","90","","120","","523.15","0.05","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- La6 Rh0.69 S14 Si2 -","- La6 Rh0.688 S14 Si2 -","- La6 Rh0.688 S14 Si2 -","1","0.166667","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.0227","0.0181","","","0.0282","0.0291","","","","","","1.065","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565813","14.4504","0.0016","14.4504","0.0016","7.42607","0.00023","90","","90","","120","","1342.9","0.2","300","","","","","","","","","","","3","P 63","P 6c","173","","","","- Fe7 O38 P11 -","- Fe7 O38 P11 -","- Fe14 O76 P22 -","2","0.333333","","Goj, Pawel; Wajda, Aleksandra; Blachowski, Artur; Stoch, Pawel","A new iron-phosphate compound (Fe7P11O38) obtained by pyrophosphate stoichiometric glass devitrification","Scientific Reports","2021","11","1","22957","","10.1038/s41598-021-02471-0","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","271539","2021-12-20","15:52:24",""
"1567910","10.002","0.0003","10.002","0.0003","8.3831","0.0002","90","","90","","120","","726.29","0.04","293","","293","","","","","","","","","5","P 63","P 6c","173","","","","- Al3.71 K0.842 Na2.868 O16 Si4.29 -","- Al3.91 K0.842 Na2.868 O15.9999 Si3.886 -","- Al7.82 K1.684 Na5.736 O31.9998 Si7.772 -","2","0.333333","","Mikhailova, Julia A.; Aksenov, Sergey M.; Pakhomovsky, Yakov A.; Moine, Bertrand N.; Dusséaux, Camille; Vaitieva, Yulia A.; Voronin, Mikhail","Iron in Nepheline: Crystal Chemical Features and Petrological Applications","Minerals","2022","12","10","1257","","10.3390/min12101257","","x-ray","0.71073","MoKα","","0.0233","0.0211","","","0.0328","0.0334","","","","1.29","1.29","1.27","","","","has coordinates","279057","2022-11-08","06:02:17",""
"1567911","9.9965","0.0007","9.9965","0.0007","8.3796","0.0017","90","","90","","120","","725.19","0.16","293","","293","","","","","","","","","5","P 63","P 6c","173","","","","- Al3.585 K0.71 Na2.875 O16 Si4.415 -","- Al4.01 K0.72 Na2.898 O15.9999 Si3.905 -","- Al8.02 K1.44 Na5.796 O31.9998 Si7.81 -","2","0.333333","","Mikhailova, Julia A.; Aksenov, Sergey M.; Pakhomovsky, Yakov A.; Moine, Bertrand N.; Dusséaux, Camille; Vaitieva, Yulia A.; Voronin, Mikhail","Iron in Nepheline: Crystal Chemical Features and Petrological Applications","Minerals","2022","12","10","1257","","10.3390/min12101257","","x-ray","0.71073","MoKα","","0.0204","0.0191","","","0.0282","0.0286","","","","1.13","1.13","1.12","","","","has coordinates","279058","2022-11-08","06:02:46",""
"2002222","17.452","","17.452","","3.33","","90","","90","","120","","878.3","","","","","","","","","","","","","4","P 63","P 6c","173","","Strontium dicalcium decaytterbium oxide","","- Ca2 O18 Sr Yb10 -","- Ca2.0001 O18 Sr Yb9.9999 -","- Ca4.0002 O36 Sr2 Yb19.9998 -","2","0.333333","","Muschick, M; Mueller-Buschbaum, Hk","Zur Verbindungsbildung von Me O : Me2 O3, II. Ueber Sr Ca2 Yb10 O18 und Sr Ca2 Lu10 O18","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1976","31","","1064","1066","","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002223","17.40399","","17.40399","","3.307","","90","","90","","120","","867.5","","","","","","","","","","","","","4","P 63","P 6c","173","","Strontium dicalcium decalutetium oxide","","- Ca2 Lu10 O18 Sr -","- Ca2.0001 Lu9.9999 O18 Sr -","- Ca4.0002 Lu19.9998 O36 Sr2 -","2","0.333333","","Muschick, M; Mueller-Buschbaum, Hk","Zur Verbindungsbildung von Me O : Me2 O3, II. Ueber Sr Ca2 Yb10 O18 und Sr Ca2 Lu10 O18","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1976","31","","1064","1066","","","","","","","0.098","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002225","10.47","","10.47","","8.819","","90","","90","","120","","837.2","","","","","","","","","","","","","3","P 63","P 6c","173","","Barium dialuminium oxide","","- Al2 Ba O4 -","- Al2 Ba O4 -","- Al16 Ba8 O32 -","8","1.33333","","Hoerkner, W; Mueller-Buschbaum, Hk","Zur Kristallstruktur von Ba Al2 O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1979","451","","40","44","10.1002/zaac.19794510107","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002268","10.428","","10.428","","7.89","","90","","90","","120","","743","","","","","","","","","","","","","4","P 63","P 6c","173","","Pentabarium tris(chromate(V)) hydroxide","","- Ba5 Cr3 H O13 -","- Ba5 Cr3 H2 O13 -","- Ba10 Cr6 H4 O26 -","2","0.333333","","Mattausch, H J; Mueller-Buschbaum, Hk","Zur Kristallstruktur von Ba5 (Cr O4)3 (O H)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1973","400","","1","9","10.1002/zaac.19734000102","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002272","10.74","","10.74","","8.675","","90","","90","","120","","866.6","","","","","","","","","","","","","3","P 63","P 6c","173","","Barium digallate","","- Ba Ga2 O4 -","- Ba Ga2 O4 -","- Ba8 Ga16 O32 -","8","1.33333","","Deiseroth, H J; Mueller-Buschbaum, Hk","Ueber Erdalkalimetalloxogallate - IV(1) Untersuchung der Ueberstruktur von Ba Ga2 O4","Journal of Inorganic and Nuclear Chemistry","1973","35","","3177","3182","10.1016/0022-1902(73)80017-X","","","","","","0.129","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002274","10.434","","10.434","","8.794","","90","","90","","120","","829.1","","","","","","","","","","","","","4","P 63","P 6c","173","","Barium manganese aluminium oxide (1/0.12/1.88/4)","","- Al1.88 Ba Mn0.12 O4 -","- Al1.88 Ba Mn0.12 O4 -","- Al15.04 Ba8 Mn0.96 O32 -","8","1.33333","","Sander, K; Mueller-Buschbaum, Hk","Ein Mn3+ -dotiertes Bariumaluminat: Ba Al1.88 Mn0.12 O4. Ein Beitrag zur Kristallstruktur von Ba Al2 O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1980","468","","197","201","10.1002/zaac.19804680125","","","","","","0.14","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002315","10.125","","10.125","","7.328","","90","","90","","120","","650.6","","","","","","","","","","","","","4","P 63","P 6c","173","","Strontium tris(tetraoxochromate(V)) chloride","","- Cl Cr3 O12 Sr5 -","- Cl Cr3 O12 Sr5 -","- Cl2 Cr6 O24 Sr10 -","2","0.333333","","Mueller-Buschbaum, Hk; Sander, K","Zur Kristallstruktur von Sr5 (Cr O4)3 Cl","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1978","33","","708","710","","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002375","17.655","0.001","17.655","0.001","3.3478","0.0002","90","","90","","120","","903.7","","","","","","","","","","","","","4","P 63","P 6c","173","","Barium dicalcium decaerbium oxide","","- Ba Ca2 Er10 O18 -","- Ba Ca2.01 Er9.99 O18 -","- Ba2 Ca4.02 Er19.98 O36 -","2","0.333333","","Mueller-Buschbaum, Hk; Mevs, H","Weitere metastabile Verbindungen mit Tunnelstruktur Ba Ca2 Er10 O18 und Ba Ca2 Yb10 O18","Journal of the Less-Common Metals","1987","136","","193","199","10.1016/0022-5088(87)90024-5","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002376","17.51549","0.0063","17.51549","0.0063","3.3098","0.0016","90","","90","","120","","879.4","","","","","","","","","","","","","4","P 63","P 6c","173","","Barium dicalcium decaytterbium oxide","","- Ba Ca2 O18 Yb10 -","- Ba Ca2.01 O18 Yb9.99 -","- Ba2 Ca4.02 O36 Yb19.98 -","2","0.333333","","Mueller-Buschbaum, K; Mevs, H","Weitere metastabile Verbindungen mit Tunnelstruktur Ba Ca2 Er10 O18 und Ba Ca2 Yb10 O18","Journal of the Less-Common Metals","1987","136","","193","199","10.1016/0022-5088(87)90024-5","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002463","17.5616","0.0025","17.5616","0.0025","3.332","0.0005","90","","90","","120","","889.9","","","","","","","","","","","","","4","P 63","P 6c","173","","Barium dicalcium decathulium oxide","","- Ba Ca2 O18 Tm10 -","- Ba Ca2.001 O18 Tm9.999 -","- Ba2 Ca4.002 O36 Tm19.998 -","2","0.333333","","Mueller-Buschbaum, Hk; Lenz, A","Neue Verbindungen vom Typ M3 Ln10 O18: Ba Ca2 Tm10 O18 und Ba Ca2 Tm5 Sc5 O18. Ein Beitrag zur Besetzung der Tunnelstrukturen","Journal of the Less-Common Metals","1989","156","","173","179","10.1016/0022-5088(89)90416-5","","","","","","0.098","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002464","17.17169","0.0022","17.17169","0.0022","3.2292","0.0002","90","","90","","120","","824.6","","","","","","","","","","","","","5","P 63","P 6c","173","","Barium dicalcium pentathulium pentascandium oxide","","- Ba Ca2 O18 Sc5 Tm5 -","- Ba Ca2.001 O18 Sc5.004 Tm4.995 -","- Ba2 Ca4.002 O36 Sc10.008 Tm9.99 -","2","0.333333","","Mueller-Buschbaum, Hk; Lenz, A","Neue Verbindungen vom Typ M3 Ln10 O18: Ba Ca2 Tm10 O18 und Ba Ca2 Tm5 Sc5 O18. Ein Beitrag zur Besetzung der Tunnelstrukturen","Journal of the Less-Common Metals","1989","156","","173","179","10.1016/0022-5088(89)90416-5","","","","","","0.083","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002474","17.13789","0.0045","17.13789","0.0045","3.2171","0.0045","90","","90","","120","","818.3","","","","","","","","","","","","","5","P 63","P 6c","173","","Barium dicalcium pentascandium pentaytterbium oxide","","- Ba Ca2 O18 Sc5 Yb5 -","- Ba Ca2.0001 O18 Sc5.0004 Yb4.9995 -","- Ba2 Ca4.0002 O36 Sc10.0008 Yb9.999 -","2","0.333333","","Mueller-Buschbaum, Hk; Vogt, R","Neue Verbindungen vom Typ M3 Ln10 O18 (M= Ba + Ca; Ln= Sc + Yb, Ho + Y, La + Y). Ein Beitrag zur Besetzung von Oktaedergeruest und Tunnelstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","589","","89","95","10.1002/zaac.19905890110","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002475","17.7645","0.0027","17.7645","0.0027","3.3768","0.0004","90","","90","","120","","922.9","","","","","","","","","","","","","5","P 63","P 6c","173","","Barium dicalcium pentaholmium pentayttrium oxide","","- Ba Ca2 Ho5 O18 Y5 -","- Ba Ca2.0001 Ho4.9995 O18 Y5.0004 -","- Ba2 Ca4.0002 Ho9.999 O36 Y10.0008 -","2","0.333333","","Mueller-Buschbaum, Hk; Vogt, R","Neue Verbindungen vom Typ M3 Ln10 O18 (M= Ba + Ca; Ln= Sc + Yb, Ho + Y, La + Y). Ein Beitrag zur Besetzung von Oktaedergeruest und Tunnelstruktur.","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","589","","89","95","10.1002/zaac.19905890110","","","","","","0.091","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002476","18","0.0044","18","0.0044","3.4458","0.0014","90","","90","","120","","966.9","","","","","","","","","","","","","5","P 63","P 6c","173","","Barium dicalcium pentalanthanum pentayttrium oxide","","- Ba Ca2 La5 O18 Y5 -","- Ba Ca2.0001 La4.9995 O18 Y5.0004 -","- Ba2 Ca4.0002 La9.999 O36 Y10.0008 -","2","0.333333","","Mueller-Buschbaum, Hk; Vogt, R","Neue Verbindungen vom Typ M3 Ln10 O18 (M= Ba + Ca; Ln= Sc + Yb, Ho + Y, La + Y). Ein Beitrag zur Besetzung von Oktaedergeruest und Tunnelstruktur.","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","589","","89","95","10.1002/zaac.19905890110","","","","","","0.0907","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002503","17.69469","0.004","17.69469","0.004","3.3658","0.0011","90","","90","","120","","912.7","","","","","","","","","","","","","5","P 63","P 6c","173","","Barium calcium dysprosium zirconium oxide (2/5/18/1/36)","","- Ba2 Ca5 Dy18 O36 Zr -","- Ba2 Ca4.998 Dy17.994 O36 Zr1.008 -","- Ba2 Ca4.998 Dy17.994 O36 Zr1.008 -","1","0.166667","","Mueller-Buschbaum, Hk; Vogt, R","Ein Beitrag zum Sr Ca2 Lu10 O18-Typ. Zur Elementverteilung in Ba2 Ca5 Dy18 Zr O36","Journal of the Less-Common Metals","1990","163","","347","351","10.1016/0022-5088(90)90601-F","","","","","","0.092","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2004218","7.121","0.004","7.121","0.004","11.4","0.007","90","","90","","120","","500.6","0.5","298","","298","","","","","","","","","4","P 63","P 6c","173","Potassium vanadium selenite","Potassium vanadium selenite","","- K O12 Se2 V3 -","- K O12 Se2 V3 -","- K2 O24 Se4 V6 -","2","0.333333","BR1110","Harrison, W. T. A.; Dussack, L. L.; Jacobson, A. J.","Potassium Vanadium Selenite, K(VO~2~)~3~(SeO~3~)~2~","Acta Crystallographica Section C","1995","51","12","2473","2476","10.1107/S0108270195008407","","","0.71073","MolybdenumKα","","0.035","0.035","","0.027","0.027","","","","1.07","1.07","1.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005178","13.671","0.003","13.671","0.003","11.4","0.003","90","","90","","120","","1845.2","0.8","223","","223","","","","","","","","","6","P 63","","","","dibromo(tris(diphenylamido)niobium(V)","","- C40 H38 Br2 N3 Nb O -","- C54 H30 Br2 N3 Nb -","- C108 H60 Br4 N6 Nb2 -","2","0.333333","SK1001","Hoffman, D. M.; Rangarajan, S. P.","A Diphenylamido‒Bromide Complex of Niobium: Dibromo[tris(diphenylamido)]niobium(V) Tetrahydrofuran Solvate","Acta Crystallographica Section C","1996","52","7","1616","1618","10.1107/S010827019600087X","","","0.71073","MolybdenumKα","","","0.029","","","0.026","","","","","2.2","2.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006645","17.674","0.003","17.674","0.003","12.516","0.003","90","","90","","120","","3385.8","1.1","298","","","","","","","","","","","3","P 63","P 6c","173","","","","- Al14.4 Cr3.4 Ni1.1 -","- Al14.6873 Cr3.175 -","- Al176.248 Cr38.1 -","12","2","BR1150","Sato, A.; Yamamoto, A.; Li, X. Z.; Hiraga, K.; Haibach, T.; Steurer, W.","A New Hexagonal κ Phase of Al‒Cr‒Ni","Acta Crystallographica Section C","1997","53","11","1531","1533","10.1107/S0108270197003430","","","0.71073","MoKα","","","0.052","","","0.057","","","","","2.5","2.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008722","18.749","0.003","18.749","0.003","8.684","0.002","90","","90","","120","","2643.7","0.9","293","2","293","2","","","","","","","","4","P 63","P 6c","173","potassium iron germanate","potassium iron germanium tetraoxide","","- Fe Ge K O4 -","- Fe Ge K O4 -","- Fe24 Ge24 K24 O96 -","24","4","QB0100","Robert Hammond; Jacques Barbier","Low-temperature KFeGeO~4~","Acta Crystallographica Section C","1999","55","7","IUC9900074","","10.1107/S0108270199099254","","","0.56086","AgKα","","0.055","0.041","","0.11","0.095","","","","0.939","1.023","1.023","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008759","10.2499","0.0009","10.2499","0.0009","6.0322","0.0008","90","","90","","120","","548.84","0.1","153","2","153","2","","","","","","","","4","P 63","P 6c","173","","dysprosium copper germanium selenide","","- Cu Dy3 Ge Se7 -","- Cu Dy3 Ge Se7 -","- Cu2 Dy6 Ge2 Se14 -","2","0.333333","BR1239","Huang, Fu Qiang; Ibers, James A.","Dy~3~CuGeSe~7~","Acta Crystallographica Section C","1999","55","8","1210","1212","10.1107/S0108270199004606","","","0.71073","MoKα","","0.025","0.021","","","","0.053","","","","","","1.037","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2011286","10.3499","0.0006","10.3499","0.0006","14.6652","0.0011","90","","90","","120","","1360.48","0.15","173","1","173","1","","","","","","","","6","P 63","P 6c","173","","tris(1,6-dihydro-9H-purine-6-thione-N^7^,S)iron(II) tetrachloroferrate(III) chloride","","- C15 H12 Cl5 Fe2 N12 S3 -","- C15 H12 Cl5 Fe2 N12 S3 -","- C30 H24 Cl10 Fe4 N24 S6 -","2","0.333333","SK1395","Schmalle, Helmut W.; Gyr, Ernst; Dubler, Erich","A mixed-valence iron complex of the antitumour drug 6-mercaptopurine: tris(6-mercaptopurine)iron(II) tetrachloroferrate(III) chloride","Acta Crystallographica Section C","2000","56","8","957","959","10.1107/S0108270100008118","","","0.71073","MoKα","","0.024","0.021","","","","0.038","","","","","","1.098","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011468","7.1613","0.0005","7.1613","0.0005","11.6184","0.0008","90","","90","","120","","516.01","0.06","298","2","298","2","","","","","","","","4","P 63","P 6c","173","","","","- Cs O12 Se2 V3 -","- Cs O12 Se2 V3 -","- Cs2 O24 Se4 V6 -","2","0.333333","QD0027","Harrison, William T. A.","Caesium vanadium selenite, Cs(VO~2~)~3~(SeO~3~)~2~","Acta Crystallographica Section C","2000","56","10","e422","e422","10.1107/S0108270100011719","","","0.71073","MoKα","","0.031","0.029","","","","0.063","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011970","10.702","0.002","10.702","0.002","8.703","0.002","90","","90","","120","","863.2","0.3","10","2","10","2","","","","","","","","5","P 63","P 6c","173","","","","- H4 N O4 P Zn -","- H4 N O4 P Zn -","- H32 N8 O32 P8 Zn8 -","8","1.33333","GD1138","Harrison, William T. A.; Sobolev, Alexandr N.; Phillips, Mark L. F.","Hexagonal ammonium zinc phosphate, (NH~4~)ZnPO~4~, at 10K","Acta Crystallographica Section C","2001","57","5","508","509","10.1107/S0108270101002992","","","0.71073","MoKα","","0.0128","0.0125","","","","0.0312","","","","","","1.146","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014099","10.096","0.002","10.096","0.002","5.961","0.001","90","","90","","120","","526.2","0.17","293","2","293","2","","","","","","","","3","P 63","P 6c","173","cerium iron sulfide","tricerium(III) diiron(II,III) heptasulfide","","- Ce3 Fe1.94 S7 -","- Ce3 Fe1.942 S7 -","- Ce6 Fe3.884 S14 -","2","0.333333","BC1047","Mills, Allison M.; Ruck, Michael","Cerium iron sulfide, Ce~3~Fe~1.94~S~7~","Acta Crystallographica Section C","2004","60","8","i71","i72","10.1107/S0108270104013708","","","0.71073","MoKα","","0.0508","0.0505","","","0.1346","0.1353","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014653","11.337","0.005","11.337","0.005","9.91","0.005","90","","90","","120","","1103.1","0.9","293","","293","","","","","","","","","6","P 63","P 6c","173","Tris[(R)-lactamide-κ^2^O,O']zinc(II) tetrabromozincate","Tris[(R)-2-hydroxypropanamide-κ^2^O,O']zinc(II) tetrabromozincate","","- C9 H21 Br4 N3 O6 Zn2 -","- C9 H21 Br4 N3 O6 Zn2 -","- C18 H42 Br8 N6 O12 Zn4 -","2","0.333333","FG1801","Bekaert, Alain; Lemoine, Pascale; Brion, Jean Daniel; Viossat, Bernard","Tris[(<i>R</i>)-lactamide-κ^2^<i>O</i>,<i>O</i>']zinc(II) tetrabromozincate","Acta Crystallographica Section C","2005","61","2","m76","m77","10.1107/S0108270104032512","","","0.71073","MoKα","","0.0711","0.0435","","","0.0788","0.0878","","","","","","1.023","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015120","9.0924","0.0005","9.0924","0.0005","5.2862","0.0008","90","","90","","120","","378.47","0.06","290","","290","","","","","","","","","3","P 63","P 6c","173","","Gallium tris(iodate)","","- Ga I3 O9 -","- Ga I3 O9 -","- Ga2 I6 O18 -","2","0.333333","EM1002","Chen, Xuean; Xue, Hai-Ping; Chang, Xi-Nan; Zang, He-Gui; Xiao, Wei-Qiang","Gallium tris(iodate), Ga(IO~3~)~3~","Acta Crystallographica Section C","2005","61","11","i109","i110","10.1107/S0108270105029835","","","0.71073","MoKα","","0.0166","0.0158","","","0.0365","0.0367","","","","","","1.271","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019502","5.19817","0.00015","5.19817","0.00015","8.5865","0.0003","90","","90","","120","","200.931","0.011","295","","295","","","","","","","","","4","P 63","P 6c","173","","Potassium aluminium orthosilicate","","- Al K O4 Si -","- Al K O4 Si -","- Al2 K2 O8 Si2 -","2","0.333333","CU3046","Kremenović, Aleksandar; Vulić, Predrag","Disordered kalsilite KAlSiO~4~","Acta Crystallographica Section C","2014","70","3","256","259","10.1107/S2053229614002423","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","2.1601","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019520","24.513","0.0006","24.513","0.0006","13.0356","0.0005","90","","90","","120","","6783.5","0.4","230","2","230","2","","","","","","","","5","P 63","P 6c","173","","Tetraethylammonium tetrachloridoferrate(III)","","- C8 H20 Cl4 Fe N -","- C8 H20 Cl4 Fe N -","- C144 H360 Cl72 Fe18 N18 -","18","3","GZ3264","Lutz, Martin; Huang, Yuxing; Moret, Marc-Etienne; Klein Gebbink, Robertus J. M.","Phase transitions and twinned low-temperature structures of tetraethylammonium tetrachloridoferrate(III)","Acta Crystallographica Section C","2014","70","5","470","476","10.1107/S2053229614007955","","","0.71073","MoKα","","0.0414","0.0321","","","0.0777","0.0829","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2021973","24.17","0.003","24.17","0.003","12.916","0.002","90","","90","","120","","6534.5","1.5","109.9","0.3","109.9","0.3","","","","","","","","5","P 63","P 6c","173","","Tetraethylammonium tetrathiorhenate","","- C8 H20 N Re S4 -","- C8 H20 N Re S4 -","- C144 H360 N18 Re18 S72 -","18","3","EF3002","Bernhardt, Eduard; Herbst-Irmer, Regine","Phase transition and structures of the twinned low-temperature phases of (Et~4~N)[ReS~4~]","Acta Crystallographica Section C","2020","76","3","","","10.1107/S205322961901725X","","","0.71073","MoKα","","0.0354","0.0283","","","0.0452","0.0481","","","","","","1.048","","","","has coordinates,has Fobs","247978","2020-10-21","18:00:00",""
"2100834","13.029","0.002","13.029","0.002","10.04","0.002","90","","90","","120","","1476","0.4","","","","","","","","","","","","5","P 63","","","","","","- C18 H48 Cr N9 O12 -","- C18 H48 Cr N9 O12 -","- C36 H96 Cr2 N18 O24 -","2","0.333333","AS0599","Morooka, M.; Ohba, S.; Miyamae, H.","Electron-density distribution in crystals of <i>lel</i>~3~-[<i>M</i>(chxn)~3~](NO~3~)~3~.3H~2~O (<i>M</i> = Cr, Rh; chxn = <i>trans</i>-1,2-diaminocyclohexane) at 120 K","Acta Crystallographica Section B","1992","48","5","667","672","10.1107/S0108768192004257","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","190627","2020-10-21","18:00:00",""
"2100835","13.101","0.002","13.101","0.002","9.984","0.002","90","","90","","120","","1484","0.4","","","","","","","","","","","","5","P 63","","","","","","- C18 H48 N9 O12 Rh -","- C18 H48 N9 O12 Rh -","- C36 H96 N18 O24 Rh2 -","2","0.333333","AS0599","Morooka, M.; Ohba, S.; Miyamae, H.","Electron-density distribution in crystals of <i>lel</i>~3~-[<i>M</i>(chxn)~3~](NO~3~)~3~.3H~2~O (<i>M</i> = Cr, Rh; chxn = <i>trans</i>-1,2-diaminocyclohexane) at 120 K","Acta Crystallographica Section B","1992","48","5","667","672","10.1107/S0108768192004257","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","190627","2020-10-21","18:00:00",""
"2100906","5.463","0.001","5.463","0.001","9.147","0.002","90","","90","","120","","236.41","0.08","","","","","","","","","","","","4","P 63","P 6c","","","","","- Cr Li O4 Rb -","- Cr Li O4 Rb -","- Cr2 Li2 O8 Rb2 -","2","0.333333","SH0006","Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S.","Structure and twinning of RbLiCrO~4~ crystals","Acta Crystallographica Section B","1993","49","1","19","28","10.1107/S0108768192006141","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100907","5.471","0.001","5.471","0.001","9.14","0.004","90","","90","","120","","236.92","0.12","","","","","","","","","","","","4","P 63","P 6c","","","","","- Cr Li O4 Rb -","- Cr Li O4 Rb -","- Cr2 Li2 O8 Rb2 -","2","0.333333","SH0006","Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S.","Structure and twinning of RbLiCrO~4~ crystals","Acta Crystallographica Section B","1993","49","1","19","28","10.1107/S0108768192006141","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102090","5.202","0.001","5.202","0.001","8.647","0.002","90","0.03","90","0.03","120","0.03","202.65","0.09","573","","","","","","","","","","","4","P 63","P 6c","173","","","","- K Li O4 S -","- K0.999999 Li0.999999 O4 S0.999999 -","- K2 Li2 O8 S2 -","2","0.333333","CA0003","Pinheiro, Carlos Basílio; Pimenta, Marcos Assunção; Chapuis, Gervais; Speziali, Nivaldo Lúcio","Analysis of LiKSO~4~ crystals in the temperature range from 573 to 943K","Acta Crystallographica Section B","2000","56","4","607","617","10.1107/S0108768100003219","","","0.71073","MoKα","","0.0223","0.0202","","0.0264","0.0263","","","","2.24","2.35","2.35","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102183","15.25","0.002","15.25","0.002","6.8149","0.0014","90","","90","","120","","1372.6","0.4","150","2","150","2","","","","","","","","6","P 63","P 6c","173","","2,4,6-tris-(4-chlorophenoxy)-1,3,5-triazine tribromobenzene","","- C27 H15 Br3 Cl3 N3 O3 -","- C27 H15 Br3 Cl3 N3 O3 -","- C54 H30 Br6 Cl6 N6 O6 -","2","0.333333","BM0035","Broder, Charlotte K.; Howard, Judith A. K.; Keen, David A.; Wilson, Chick C.; Allen, Frank H.; Jetti, Ram K. R.; Nangia, Ashwini; Desiraju, Gautam R.","Halogen trimer synthons in crystal engineering: low-temperature X-ray and neutron diffraction study of the 1:1 complex of 2,4,6-tris(4-chlorophenoxy)-1,3,5-triazine with tribromobenzene","Acta Crystallographica Section B","2000","56","6","1080","1084","10.1107/S0108768100011551","","","0.71073","MoKα","","0.0328","0.0267","","","0.0623","0.0642","","","","","","1.037","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102184","15.166","0.006","15.166","0.006","6.743","0.002","90","","90","","120","","1343.2","0.9","100","5","100","5","","","","","","","","6","P 63","P 6c","173","","","","- C27 H15 Br3 Cl3 N3 O3 -","- C27 H15 Br3 Cl3 N3 O3 -","- C54 H30 Br6 Cl6 N6 O6 -","2","0.333333","BM0035","Broder, Charlotte K.; Howard, Judith A. K.; Keen, David A.; Wilson, Chick C.; Allen, Frank H.; Jetti, Ram K. R.; Nangia, Ashwini; Desiraju, Gautam R.","Halogen trimer synthons in crystal engineering: low-temperature X-ray and neutron diffraction study of the 1:1 complex of 2,4,6-tris(4-chlorophenoxy)-1,3,5-triazine with tribromobenzene","Acta Crystallographica Section B","2000","56","6","1080","1084","10.1107/S0108768100011551","","neutron","","neutron","","0.0834","0.0834","","","0.2121","0.2121","","","","","","1.23","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102551","7.6044","0.0001","7.6044","0.0001","2.9063","0.0001","90","","90","","120","","145.546","0.006","295","","295","","","","","","","","","2","P 63","P 6c","173","β silicon nitride","","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.333333","AV5009","du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F.","Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~","Acta Crystallographica Section B","2004","60","4","388","405","10.1107/S010876810401393X","","","0.75022","synx","","0.0184","0.0184","","0.0135","","0.0135","","","1.8771","","","1.8771","","","","has coordinates","201912","2020-10-21","18:00:00",""
"2102553","7.6015","0.0003","7.6015","0.0003","2.9061","0.0001","90","","90","","120","","145.425","0.013","200","","295","","","","","","","","","2","P 63","P 6c","173","β silicon nitride","","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.333333","AV5009","du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F.","Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~","Acta Crystallographica Section B","2004","60","4","388","405","10.1107/S010876810401393X","","","0.75037","synx","","0.0129","0.0129","","0.0106","","0.0106","","","1.7564","","","1.7564","","","","has coordinates","201912","2020-10-21","18:00:00",""
"2102555","7.602","0.0002","7.602","0.0002","2.906","0.0001","90","","90","","120","","145.439","0.009","150","","295","","","","","","","","","2","P 63","P 6c","173","β silicon nitride","","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.333333","AV5009","du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F.","Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~","Acta Crystallographica Section B","2004","60","4","388","405","10.1107/S010876810401393X","","","0.75037","synx","","0.0149","0.0149","","0.0136","","0.0136","","","1.841","","","1.841","","","","has coordinates","201912","2020-10-21","18:00:00",""
"2104303","10.4056","0.0015","10.4056","0.0015","5.828","0.0012","90","","90","","120","","546.49","0.16","295","2","295","2","","","","","","","","4","P 63","P 6c","173","","","","- Ag0.82 Ge La3 S7 -","- Ag0.821 Ge La3 S7 -","- Ag1.642 Ge2 La6 S14 -","2","0.333333","BP5017","Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.","Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds","Acta Crystallographica Section B","2009","65","2","126","133","10.1107/S010876810900144X","","","0.71073","MoKα","","0.0118","0.0113","","","0.0223","0.0224","","","","","","1.04","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104304","10.3902","0.0015","10.3902","0.0015","5.8425","0.0012","90","","90","","120","","546.23","0.16","295","2","295","2","","","","","","","","4","P 63","P 6c","173","","","","- Ag0.88 Ce3 Ge S7 -","- Ag0.881 Ce3 Ge S7 -","- Ag1.762 Ce6 Ge2 S14 -","2","0.333333","BP5017","Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.","Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds","Acta Crystallographica Section B","2009","65","2","126","133","10.1107/S010876810900144X","","","0.71073","MoKα","","0.0224","0.0214","","","0.0461","0.0464","","","","","","1.057","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104305","10.229","0.0014","10.229","0.0014","5.776","0.0011","90","","90","","120","","523.39","0.14","295","2","295","2","","","","","","","","4","P 63","P 6c","173","","","","- Ag0.89 Ge Pr3 S7 -","- Ag0.9 Ge Pr3 S7 -","- Ag1.8 Ge2 Pr6 S14 -","2","0.333333","BP5017","Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.","Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds","Acta Crystallographica Section B","2009","65","2","126","133","10.1107/S010876810900144X","","","0.71073","MoKα","","0.0264","0.0246","","","0.0509","0.0514","","","","","","1.092","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104306","10.193","0.0014","10.193","0.0014","5.7693","0.0012","90","","90","","120","","519.11","0.15","295","2","295","2","","","","","","","","4","P 63","P 6c","173","","","","- Ag0.84 Ge Nd3 S7 -","- Ag0.84 Ge Nd3 S7 -","- Ag1.68 Ge2 Nd6 S14 -","2","0.333333","BP5017","Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.","Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds","Acta Crystallographica Section B","2009","65","2","126","133","10.1107/S010876810900144X","","","0.71073","MoKα","","0.0161","0.0156","","","0.0345","0.0346","","","","","","1.078","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104307","10.0809","0.0014","10.0809","0.0014","5.7604","0.0012","90","","90","","120","","506.97","0.15","295","2","295","2","","","","","","","","4","P 63","P 6c","173","","","","- Ag0.74 Ge S7 Sm3 -","- Ag0.735 Ge S7 Sm3 -","- Ag1.47 Ge2 S14 Sm6 -","2","0.333333","BP5017","Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.","Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds","Acta Crystallographica Section B","2009","65","2","126","133","10.1107/S010876810900144X","","","0.71073","MoKα","","0.0142","0.014","","","0.0344","0.0344","","","","","","1.169","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104308","9.9637","0.0014","9.9637","0.0014","5.766","0.0012","90","","90","","120","","495.73","0.14","295","2","295","2","","","","","","","","4","P 63","P 6c","173","","","","- Ag0.63 Gd3 Ge S7 -","- Ag0.62 Gd3 Ge S7 -","- Ag1.24 Gd6 Ge2 S14 -","2","0.333333","BP5017","Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.","Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds","Acta Crystallographica Section B","2009","65","2","126","133","10.1107/S010876810900144X","","","0.71073","MoKα","","0.0129","0.0128","","","0.0292","0.0292","","","","","","1.116","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104309","9.9003","0.0014","9.9003","0.0014","5.7654","0.0012","90","","90","","120","","489.39","0.14","295","2","295","2","","","","","","","","4","P 63","P 6c","173","","","","- Ag0.59 Ge S7 Tb3 -","- Ag0.586 Ge S7 Tb3 -","- Ag1.172 Ge2 S14 Tb6 -","2","0.333333","BP5017","Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.","Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds","Acta Crystallographica Section B","2009","65","2","126","133","10.1107/S010876810900144X","","","0.71073","MoKα","","0.017","0.0169","","","0.0376","0.0376","","","","","","1.173","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104310","9.8003","0.0014","9.8003","0.0014","5.7879","0.0012","90","","90","","120","","481.43","0.14","295","2","295","2","","","","","","","","4","P 63","P 6c","173","","","","- Ag0.51 Dy3 Ge S7 -","- Ag0.517 Dy3 Ge S7 -","- Ag1.034 Dy6 Ge2 S14 -","2","0.333333","BP5017","Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.","Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds","Acta Crystallographica Section B","2009","65","2","126","133","10.1107/S010876810900144X","","","0.71073","MoKα","","0.0162","0.0153","","","0.0313","0.0316","","","","","","1.123","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104311","9.7401","0.0014","9.7401","0.0014","5.7994","0.0012","90","","90","","120","","476.48","0.14","295","2","295","2","","","","","","","","4","P 63","P 6c","173","","","","- Ag0.5 Ge Ho3 S7 -","- Ag0.5 Ge Ho3 S7 -","- Ag Ge2 Ho6 S14 -","2","0.333333","BP5017","Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.","Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds","Acta Crystallographica Section B","2009","65","2","126","133","10.1107/S010876810900144X","","","0.71073","MoKα","","0.018","0.0173","","","0.0332","0.0333","","","","","","1.189","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104312","9.6921","0.0014","9.6921","0.0014","5.8308","0.0012","90","","90","","120","","474.35","0.14","295","2","295","2","","","","","","","","4","P 63","P 6c","173","","","","- Ag0.5 Er3 Ge S7 -","- Ag0.5 Er3 Ge S7 -","- Ag Er6 Ge2 S14 -","2","0.333333","BP5017","Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.","Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds","Acta Crystallographica Section B","2009","65","2","126","133","10.1107/S010876810900144X","","","0.71073","MoKα","","0.0218","0.0217","","","0.0527","0.0528","","","","","","1.151","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104313","9.809","0.0014","9.809","0.0014","5.8059","0.0012","90","","90","","120","","483.78","0.14","295","2","295","2","","","","","","","","4","P 63","P 6c","173","","","","- Ag0.5 Ge S7 Y3 -","- Ag0.5 Ge S7 Y3 -","- Ag Ge2 S14 Y6 -","2","0.333333","BP5017","Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.","Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds","Acta Crystallographica Section B","2009","65","2","126","133","10.1107/S010876810900144X","","","0.71073","MoKα","","0.0221","0.021","","","0.0438","0.0441","","","","","","1.123","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105551","10.164","0.001","10.164","0.001","8.54","0.002","90","","90","","120","","764","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","β-sodium potassium aluminum germanate","","- Al0.97 Ge1.03 K0.19 Na0.78 O4 -","- Al0.98 Ge1.02 K0.18 Na0.78 O3.9975 -","- Al7.84 Ge8.16 K1.44 Na6.24 O31.98 -","8","1.33333","BR0065","Hammond, R. P.; Barbier, J.","Monoclinic and Hexagonal Nepheline Structures of (Na~3/4~/K~1/4~)AlGeO~4~","Acta Crystallographica Section B","1998","54","3","211","220","10.1107/S0108768197013177","","","0.56086","AgKα","","0.1176","0.0411","","0.0665","0.056","","","","0.709","0.903","0.903","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106488","7.33","","7.33","","7.864","","90","","90","","120","","365.917","","","","","","","","","","","","","2","P 63","P 6c","173","","","","- Cu20 Sn6 -","- Cu20 Sn6 -","- Cu20 Sn6 -","1","0.166667","","Brandon, J.K.; Pearson, W.B.; Tozer, D.J.N.","A single-crystal X-ray diffraction of the zeta bronze structure, Cu20 Sn6","Acta Crystallographica B (24,1968-38,1982)","1975","31","","774","779","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106678","8.285","","8.285","","7.6","","90","","90","","120","","451.782","","","","","","","","","","","","","3","P 63","P 6c","173","","Na (Sb3 F10)","","- F10 Na Sb3 -","- F10 Na Sb3 -","- F20 Na2 Sb6 -","2","0.333333","","Fourcade, R.; Mascherpa, G.; Philippot, E.","Structure cristalline et moleculaire de Na Sb3 F10","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2322","2326","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106883","15.545","","15.545","","4.019","","90","","90","","120","","841.066","","","","","","","","","","","","","3","P 63","P 6c","173","","Bi0.333 Br (Bi6 S9)","","- Bi6.333 Br S9 -","- Bi6.333 Br S9 -","- Bi12.666 Br2 S18 -","2","0.333333","","Mariolacos, K.","The crystal structure of Bi (Bi2 S3)9 Br3","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1947","1949","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106987","9.2905","","9.2905","","8.728","","90","","90","","120","","652.414","","","","","","","","","","","","","4","P 63","P 6c","173","","Ba Zn (Ge O4)","","- Ba Ge O4 Zn -","- Ba Ge O3.9999 Zn -","- Ba6 Ge6 O23.9994 Zn6 -","6","1","","Iijima, K.; Marumo, F.","The room-temperature structure of Ba Zn Ge O4","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1112","1116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2200066","13.8948","0.0004","13.8948","0.0004","9.4868","0.0003","90","","90","","120","","1586.19","0.08","298","2","298","2","","","","","","","","5","P 63","P 6c","173","","Tris(N-cyclohexyl-N-methyldithiocarbamato)antimony(III)","","- C24 H42 N3 S6 Sb -","- C24 H42 N3 S6 Sb -","- C48 H84 N6 S12 Sb2 -","2","0.333333","NA6026","Baba, Ibrahim; Ibrahim, Sukeria; Farina, Yang; Othman, A. Hamid; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Ng, Seik Weng","Tris(<i>N</i>-cyclohexyl-<i>N</i>-methyldithiocarbamato-<i>S</i>)antimony(III)","Acta Crystallographica Section E","2001","57","1","m39","m40","10.1107/S1600536800020122","","","0.71073","MoKα","","0.035","0.026","","","","0.054","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2216155","10.2626","0.0015","10.2626","0.0015","5.7679","0.0012","90","","90","","120","","526.09","0.15","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","tricerium hemimagnesium germanium heptasulfide","","- Ce3 Ge Mg0.5 S7 -","- Ce3 Ge Mg0.5 S7 -","- Ce6 Ge2 Mg S14 -","2","0.333333","WM2149","Gulay, L. D.; Daszkiewicz, M.; Huch, M. R.; Pietraszko, A.","Ce~3~Mg~0.5~GeS~7~ from single-crystal data","Acta Crystallographica Section E","2007","63","11","i187","i187","10.1107/S1600536807048593","","","0.71073","MoKα","","0.0137","0.0127","","","0.0216","0.0217","","","","","","1.007","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2220383","11.9331","0.0002","11.9331","0.0002","12.129","0.0004","90","","90","","120","","1495.76","0.06","295","","295","","","","","","","","","7","P 63","P 6c","173","","Pentasodium ammonium trimanganese(II) borophosphate sesquihydrate","","- B18 H20 Mn6 N2 Na10 O75 P12 -","- B18 H6 Mn6 N2 Na10 O75 P12 -","- B18 H6 Mn6 N2 Na10 O75 P12 -","1","0.166667","WM2204","Lin, Zhi-Sheng; Huang, Ya-Xi; Prots, Yurii; Zhao, Jing-Tai; Kniep, Rüdiger","Na~5~(NH~4~)Mn~3~[B~9~P~6~O~33~(OH)~3~]·1.5H~2~O","Acta Crystallographica Section E","2008","64","12","i82","i83","10.1107/S1600536808037884","","","0.71073","MoKα","","0.0412","0.0398","","","0.0973","0.0988","","","","","","1.123","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2234124","25.573","0.003","25.573","0.003","18.593","0.002","90","","90","","120","","10530","2","123","2","123","2","","","","","","","","6","P 63","P 6c","173","","Di-μ-iodido-bis{[(<i>R</i>)-(+)-2,2'-bis(diphenylphosphanyl)- 1,1'-binaphthyl-κ^2^<i>P</i>,<i>P</i>']copper(I)} 0.67-hydrate","","- C88 H65.33 Cu2 I2 O0.67 P4 -","- C88 H65.32 Cu2 I2 O0.66 P4 -","- C528 H391.92 Cu12 I12 O3.96 P24 -","6","1","BT5845","Volz, Daniel; Nieger, Martin; Bräse, Stefan","Di-μ-iodido-bis{[(<i>R</i>)-(+)-2,2'-bis(diphenylphosphanyl)-1,1'-binaphthyl-κ^2^<i>P</i>,<i>P</i>']copper(I)} 0.67-hydrate","Acta Crystallographica Section E","2012","68","4","m466","m467","10.1107/S1600536812011051","","","0.71073","MoKα","","0.0351","0.0299","","","0.0765","0.0811","","","","","","1.091","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2236973","19.5845","0.0005","19.5845","0.0005","6.6307","0.0002","90","","90","","120","","2202.5","0.1","180","2","180","2","","","","","","","","4","P 63","P 6c","173","","(<i>S</i>)-(-)-1-Phenylethanaminium hexanoate","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C84 H138 N6 O12 -","6","1","MW2095","Wood, Mary H.; Clarke, Stuart M.","(<i>S</i>)-({-})-1-Phenylethanaminium hexanoate","Acta Crystallographica Section E","2012","68","12","o3335","","10.1107/S1600536812045746","","","0.71073","MoKα","","0.0509","0.0396","","","0.0826","0.0867","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2240185","7.0701","0.001","7.0701","0.001","9.7631","0.0015","90","","90","","120","","422.64","0.11","180","","180","","","","","","","","","4","P 63","P 6c","173","tin II perchlorate trihydrate","Tin(II) perchlorate trihydrate","","- Cl2 H6 O11 Sn -","- Cl2 H6 O11 Sn -","- Cl4 H12 O22 Sn2 -","2","0.333333","HB7297","Hennings, Erik; Schmidt, Horst; Köhler, Martin; Voigt, Wolfgang","Crystal structure of tin(II) perchlorate trihydrate","Acta Crystallographica Section E","2014","70","12","474","476","10.1107/S1600536814024283","","","0.71073","MoKα","","0.0381","0.0364","","","0.0915","0.0932","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2244123","9.255","0.0006","9.255","0.0006","11.4441","0.0008","90","","90","","120","","848.92","0.1","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","Tribarium hexahydroxidostannate(IV) bis[selenate(VI)] trihydrate","","- Ba3 H12 O17 Se2 Sn -","- Ba3 H12 O17 Se2 Sn -","- Ba6 H24 O34 Se4 Sn2 -","2","0.333333","PK2667","Reuter, Hans; Kamaha, Shouassi","Ba~3~[Sn(OH)~6~][SeO~4~]~2~·3H~2~O, a hydrated 1:2 double salt of barium hexahydroxidostannate(IV) and barium selenate(VI)","Acta Crystallographica Section E","2022","78","8","","","10.1107/S2056989022007198","","","0.71073","MoKα","","0.0081","0.0081","","","0.0179","0.0179","","","","","","1.127","","","","has coordinates,has Fobs","276893","2022-07-23","04:06:02",""
"2300689","10.9995","0.001","10.9995","0.001","12.698","0.001","90","","90","","120","","1330.5","0.2","298","","298","","","","","","","","","3","P 63","P 6c","173","","","","- Al63.643 Cr10 Cu18.381 -","- Al63.6433 Cr10 Cu18.3807 -","- Al63.6433 Cr10 Cu18.3807 -","1","0.166667","","Samuha, Shmuel; Tamari, Rimon; Grushko, Benjamin; Meshi, Louisa","Structure solution of the Al~69.2~Cu~20~Cr~10.8~ {πhi} phase","Journal of Applied Crystallography","2022","55","1","74","79","10.1107/S1600576721011961","powder diffraction","","","X-rayCuKα","","","","","","","","","6.6258","","","","","","","","has coordinates,has Fobs","272818","2022-02-06","04:37:38",""
"2310421","5.478","","5.478","","5.17","","90","","90","","120","","134.359","","","","","","","","","","","","","3","P 63","P 6c","173","","Li (I O3)","","- I Li O3 -","- I Li O3 -","- I2 Li2 O6 -","2","0.333333","","de Boer, J.L.; van Bolhuis, F.; Olthof-Hazekamp, R.; Vos, A.","Reinvestigation of the crystal structure of lithium iodate","Acta Crystallographica (1,1948-23,1967)","1966","21","","841","843","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310680","5.31","","5.31","","14.04","","90","","90","","120","","342.836","","","","","","","","","","","","","4","P 63","P 6c","173","","Mg2 (Si2 O5 (O H)4)","","- H4 Mg2 O9 Si2 -","- Mg2.0001 O9 Si2 -","- Mg4.0002 O18 Si4 -","2","0.333333","","Steinfink, H.; Brunton, G.","The crystal structure of amesite","Acta Crystallographica (1,1948-23,1967)","1956","9","","487","492","","","","","","","","","","","","","","","","","","","","","","has coordinates","151688","2020-10-21","18:00:00",""
"2310864","5.773","","5.773","","6.031","","90","","90","","120","","174.07","","","","","","","","","","","","","5","P 63","P 6c","173","","Na H P O3 N H2","","- H3 N Na O3 P -","- N Na O3 P -","- N2 Na2 O6 P2 -","2","0.333333","","Hobbs, E.; Corbridge, D.E.C.; Raistrick, B.","The Crystal Structure of Monosodium Phosphoramidate, Na H P O3 N H2","Acta Crystallographica (1,1948-23,1967)","1953","6","","621","626","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4000031","10.1661","0.0006","10.1661","0.0006","5.9306","0.0004","90","","90","","120","","530.81","0.06","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Ba3 O3 S4 V2 -","- Ba3 O3 S4 V2 -","- Ba6 O6 S8 V4 -","2","0.333333","","Calvagna, Frank; Zhang, Jianhua; Li, Shoujian; Zheng, Chong","Synthesis and Structural Analysis of Ba3V2O3S4","Chemistry of Materials","2001","13","2","304","307","10.1021/cm000350k","","","0.71073","MoKα","","0.0444","0.0318","","","0.055","0.0604","","","","","","1.206","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4001015","7.1364","0.0004","7.1364","0.0004","11.4687","0.0013","90","","90","","120","","505.83","0.07","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- O12 Rb Se2 V3 -","- O12 Rb Se2 V3 -","- O24 Rb2 Se4 V6 -","2","0.333333","","Chang, Hong Young; Kim, Sang-Hwan; Ok, Kang Min; Halasyamani, P. Shiv","New Polar Oxides: Synthesis, Characterization, Calculations, and Structure−Property Relationships in RbSe2V3O12and TlSe2V3O12","Chemistry of Materials","2009","21","8","1654","","10.1021/cm9002614","","","0.71073","MoKα","","0.0209","0.0189","","","0.0349","0.0353","","","","","","0.99","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001016","7.1248","0.0003","7.1248","0.0003","11.4287","0.0011","90","","90","","120","","502.43","0.06","296","2","296","2","","","","","","","","4","P 63","P 6c","173","","","","- O12 Se2 Tl V3 -","- O12 Se2 Tl V3 -","- O24 Se4 Tl2 V6 -","2","0.333333","","Chang, Hong Young; Kim, Sang-Hwan; Ok, Kang Min; Halasyamani, P. Shiv","New Polar Oxides: Synthesis, Characterization, Calculations, and Structure−Property Relationships in RbSe2V3O12and TlSe2V3O12","Chemistry of Materials","2009","21","8","1654","","10.1021/cm9002614","","","0.71073","MoKα","","0.0311","0.0285","","","0.0716","0.0724","","","","","","1.09","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001366","10.343","0.0002","10.343","0.0002","9.756","0.0003","90","","90","","120","","903.85","0.04","150","2","150","2","","","","","","","","4","P 63","P 6c","173","","","","- C12 H27 S3 Sb -","- C12 H27 S3 Sb -","- C24 H54 S6 Sb2 -","2","0.333333","","Castro, Jorge Rodriguez-; Dale, Phillip; Mahon, Mary F.; Molloy, Kieran C.; Peter, Laurie M.","Deposition of Antimony Sulfide Thin Films from Single-Source Antimony Thiolate Precursors","Chemistry of Materials","2007","19","13","3219","","10.1021/cm070405j","","","0.71073","MoKα","","0.0637","0.0339","","","0.0702","0.0792","","","","","","1.063","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4002417","16.41","","16.41","","11.9154","","90","","90","","120","","2778.79","","","","","","","","","","","","","3","P 63","P 6c","173","","Mo6 S0.063 I9","","- I9 Mo6 S0.063 -","- I9 Mo6 S0.0625 -","- I54 Mo36 S0.375 -","6","1","","Paglia, G.; Bozin, E.S.; Vengust, D.; Mihailovic, D.; Billinge, S.J.L.","Accurate structure determination of Mo6 S(y) I(z) nanowires from atomic pair distribution function (PDF) analysis","Chemistry of Materials (1,1989-)","2006","18","","100","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","151450","2020-10-21","18:00:00",""
"4002671","17.6943","0.001","17.6943","0.001","13.2921","0.0008","90","","90","","120","","3604.1","0.4","90","2","90","2","","","","","","","","6","P 63","P 6c","173","","","","- C24 H92 Ca Cu6 N6 O53 -","- C24 H87 Ca Cu6 N6 O52.9999 -","- C48 H174 Ca2 Cu12 N12 O106 -","2","0.333333","","Grancha, Thais; Ferrando-Soria, Jesús; Cano, Joan; Amorós, Pedro; Seoane, Beatriz; Gascon, Jorge; Bazaga-García, Montse; Losilla, Enrique R.; Cabeza, Aurelio; Armentano, Donatella; Pardo, Emilio","Insights into the Dynamics of Grotthuss Mechanism in a Proton-Conducting ChiralbioMOF","Chemistry of Materials","2016","28","13","4608","","10.1021/acs.chemmater.6b01286","","","0.71073","MoKα","","0.0452","0.0367","","","0.0966","0.1017","","","","","","1.062","","","","has coordinates","184805","2020-10-21","18:00:00",""
"4002832","15.612","0.002","15.612","0.002","4.0168","0.0006","90","","90","","120","","847.9","0.2","298","2","298","2","","","","","","","","3","P 63","P 6c","173","","","","- Bi12.67 I2 S18 -","- Bi12.9516 I2 S18 -","- Bi12.9516 I2 S18 -","1","0.166667","","Groom, Ryan; Jacobs, Allison; Cepeda, Marisa; Drummey, Rachel; Latturner, Susan E.","Bi13S18I2: (Re)discovery of a Subvalent Bismuth Compound Featuring [Bi2]4+ Dimers Grown in Sulfur/Iodine Flux Mixtures","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b00702","","","0.71073","MoKα","","0.0178","0.0166","","","0.0356","0.0359","","","","","","1.134","","","","has coordinates","198938","2020-10-21","18:00:00",""
"4002835","9.9762","0.00023","9.9762","0.00023","8.34957","0.0002","90","","90","","120","","719.66","0.03","300","","300","","","","","","","","","4","P 63","P 6c","173","","","Nepheline","- Al4 Na3.49 O16 Si4 -","- Al4 Na3.493 O16 Si4 -","- Al8 Na6.986 O32 Si8 -","2","0.333333","","Ming Zhao; Zhiguo Xia; Maxim S. Molokeev; Lixin Ning; Quanlin Liu","Temperature and Eu2+ Doping induced Phase Selection in NaAlSiO4 Polymorphs and the Controlled Yellow/Blue Emission","Chemistry of Materials","2017","29","15","6552","6559","10.1021/acs.chemmater.7b02548","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.8","1.421","","","","","","","has coordinates","199650","2020-10-21","18:00:00",""
"4002979","9.344","0.0016","9.344","0.0016","14.498","0.004","90","","90","","120","","1096.2","0.4","293","2","293","2","","","","","","","","8","P 63","P 6c","173","","","","- C3 H0 Br Cs0 Lu8 N0 O25 Zn0 -","- C3 Br Lu8 O25 -","- C6 Br2 Lu16 O50 -","2","0.333333","","Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning","Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials","Chemistry of Materials","2019","31","6","2130","","10.1021/acs.chemmater.9b00068","","","0.71073","MoKα","","0.0672","0.0522","","","0.1098","0.1519","","","","","","1.062","","","","has coordinates","220403","2020-10-21","18:00:00",""
"4002980","9.4927","0.0009","9.4927","0.0009","14.752","0.003","90","","90","","120","","1151.2","0.3","293","2","293","2","","","","","","","","8","P 63","P 6c","173","","","","- C3 H0 Br Cs0 N0 O25 Y8 Zn0 -","- C3 Br O25 Y8 -","- C6 Br2 O50 Y16 -","2","0.333333","","Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning","Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials","Chemistry of Materials","2019","31","6","2130","","10.1021/acs.chemmater.9b00068","","","0.71073","MoKα","","0.06","0.0502","","","0.1014","0.1053","","","","","","0.981","","","","has coordinates","220404","2020-10-21","18:00:00",""
"4002981","9.354","0.0016","9.354","0.0016","14.415","0.003","90","","90","","120","","1092.3","0.3","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- C3 Cl Lu8 O25 -","- C3 Cl Lu8 O25 -","- C6 Cl2 Lu16 O50 -","2","0.333333","","Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning","Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials","Chemistry of Materials","2019","31","6","2130","","10.1021/acs.chemmater.9b00068","","","0.71073","MoKα","","0.0381","0.0367","","","0.0759","0.0766","","","","","","1.142","","","","has coordinates","220405","2020-10-21","18:00:00",""
"4002982","9.5353","0.0012","9.5353","0.0012","14.729","0.005","90","","90","","120","","1159.8","0.4","296","2","296","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H15 Cl O25 Y8 -","- C3 H15 Cl O25 Y8 -","- C6 H30 Cl2 O50 Y16 -","2","0.333333","","Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning","Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials","Chemistry of Materials","2019","31","6","2130","","10.1021/acs.chemmater.9b00068","","","0.71073","MoKα","","0.0622","0.0532","","","0.0978","0.1015","","","","","","1.183","","","","has coordinates","220406","2020-10-21","18:00:00",""
"4003330","7.6279","0.0011","7.6279","0.0011","13.99","0.003","90","","90","","120","","705","0.2","153.15","","153.15","","","","","","","","","5","P 63","P 6c","173","","","","- B Ba Be2 F3 O3 -","- B Ba Be2 F3 O3 -","- B6 Ba6 Be12 F18 O18 -","6","1","","Guo, Shu; Jiang, Xingxing; Liu, Lijuan; Xia, Mingjun; Fang, Zhi; Wang, Xiaoyang; Lin, Zheshuai; Chen, Chuangtian","BaBe2BO3F3: A KBBF-Type Deep-Ultraviolet Nonlinear Optical Material with Reinforced [Be2BO3F2]∞Layers and Short Phase-Matching Wavelength","Chemistry of Materials","2016","28","24","8871","","10.1021/acs.chemmater.6b04403","","","0.71073","MoKα","","0.0502","0.0363","","","0.0768","0.0825","","","","","","1.01","","","","has coordinates","231523","2020-10-21","18:00:00",""
"4003448","9.3596","0.0005","9.3596","0.0005","10.7347","0.0005","90","","90","","120","","814.4","0.07","123","2","123","2","","","","","","","","5","P 63","P 6c","173","","","","- C10 H18 Cd N4 S3 -","- C10 Cd N4 S3 -","- C20 Cd2 N8 S6 -","2","0.333333","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.2106","0.2043","","","0.3446","0.3481","","","","","","1.067","","","","has coordinates","245098","2020-10-21","18:00:00",""
"4003452","14.9238","0.0003","14.9238","0.0003","30.6972","0.0007","90","","90","","120","","5920.9","0.2","111","","111","","","","","","","","","6","P 63","P 6c","173","","","","- C81 H180 Br19 N9 Pb3 Zn2 -","- C81 H180 Br19 N9 Pb3 Zn2 -","- C162 H360 Br38 N18 Pb6 Zn4 -","2","0.333333","","Lee, Sujin; Zhou, Chenkun; Neu, Jennifer; Beery, Drake; Arcidiacono, Ashley; Chaaban, Maya; Lin, Haoran; Gaiser, Alyssa; Chen, Banghao; Albrecht-Schmitt, Thomas E.; Siegrist, Theo; Ma, Biwu","Bulk Assemblies of Lead Bromide Trimer Clusters with Geometry-Dependent Photophysical Properties","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03893","","","0.71073","MoKα","","0.0777","0.0657","","0.1872","0.1701","0.1701","","","","","","1.0847","","","","has coordinates","246201","2020-10-21","18:00:00",""
"4003518","9.883","0.003","9.883","0.003","7.066","0.002","90","","90","","120","","597.7","0.3","273","2","273","2","","","","","","","","4","P 63","P 6c","173","","","","- F Lu3 O12 Se4 -","- F Lu3 O12 Se4 -","- F2 Lu6 O24 Se8 -","2","0.333333","","Wu, Chao; Li, Longhua; Lin, Lin; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","Enhancement of Second-Order Optical Nonlinearity in a Lutetium Selenite by Monodentate Anion Partial Substitution","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00034","","","0.71073","MoKα","","0.0245","0.0238","","","0.055","0.0554","","","","","","1.066","","","","has coordinates","249830","2020-10-21","18:00:00",""
"4021984","32.199","0.007","32.199","0.007","12.957","0.004","90","","90","","120","","11634","5","298","2","298","2","","","","","","","","3","P 63","P 6c","173","","","","- C75 H69 N3 -","- C75 H69 N3 -","- C600 H552 N24 -","8","1.33333","","Mao-Sen Yuan; Qi Fang; Zhi-Qiang Liu; Jian-Ping Guo; Hong-Yu Chen; Wen-Tao Yu; Gang Xue; Dian-Sheng Liu","Acceptor or Donor (Diaryl B or N) Substituted Octupolar Truxene: Synthesis, Structure, and Charge-Transfer-Enhanced Fluorescence","Journal of Organic Chemistry","2006","71","","7858","7861","10.1021/jo061210i","","","0.71073","MoKα","","0.2048","0.1069","","","0.2709","0.3586","","","","","","1.03","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4023603","23.975","0.003","23.975","0.003","9.5693","0.001","90","","90","","120","","4763.5","0.9","150","2","150","2","","","","","","","","3","P 63","P 6c","173","","","","- C27 H36 O9 -","- C27 H36 O9 -","- C162 H216 O54 -","6","1","","Ravindranath Nasi; Brian O. Patrick; Lyann Sim; David R. Rose; B. Mario Pinto","Studies Directed toward the Stereochemical Structure Determination of the Naturally Occurring Glucosidase Inhibitor, Kotalanol: Synthesis and Inhibitory Activities against Human Maltase Glucoamylase of Seven-Carbon, Chain-Extended Homologues of Salacinol","Journal of Organic Chemistry","2008","73","","6172","6181","10.1021/jo800855n","","","0.7749","synchrotron","","0.0856","0.0712","","","0.207","0.2201","","","","","","1.099","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4029281","19.986","0.004","19.986","0.004","8.8105","0.0018","90","","90","","120","","3047.8","1.1","173","2","173","2","","","","","","","","3","P 63","P 6c","173","","","","- C69 H57 N15 -","- C69 H57 N15 -","- C138 H114 N30 -","2","0.333333","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.1435","0.1284","","","0.3281","0.3369","","","","","","2.032","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4031426","16.107","","16.107","","12.378","","90","","90","","120","","2781.06","","","","","","","","","","","","","4","P 63","P 6c","173","","Al H2 (I O3)5 (H2 O)6","","- Al H14 I5 O21 -","- Al I5 O21 -","- Al6 I30 O126 -","6","1","","Cradwick, P.D.; de Endredy, A.S.","Crystal Structure of Aluminium Iodate-Hydrogen Iodate-Water (1/1/6) and Preparation of Anhydrous Aluminium Iodate","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1977","1977","","146","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031433","10.256","","10.256","","7.582","","90","","90","","120","","690.67","","","","","","","","","","","","","5","P 63","P 6c","173","","K3 Sn2 Br (S O4)3","","- Br K3 O12 S3 Sn2 -","- Br K2.99 O12 S3 Sn2.01 -","- Br2 K5.98 O24 S6 Sn4.02 -","2","0.333333","","Donaldson, J.D.; Grimes, S.M.","Novel tin(II) sites in X-ray crystal structures of the Tin(II) halide sulphates K3 Sn2 (S O4)3 X (X= Br or Cl)","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1984","1984","","1301","1305","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031434","10.183","","10.183","","7.54","","90","","90","","120","","677.101","","","","","","","","","","","","","5","P 63","P 6c","173","","K3 Sn2 (S O4)3 Cl","","- Cl K3 O12 S3 Sn2 -","- Cl K2.99 O12 S3 Sn2.01 -","- Cl2 K5.98 O24 S6 Sn4.02 -","2","0.333333","","Donaldson, J.D.; Grimes, S.M.","Novel tin(II) sites in X-ray crystal structures of the tin(II) halide sulphates K3 Sn2 (S O4)3 X (X= Br or Cl)","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1984","1984","","1301","1305","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031512","10.23","","10.23","","7.56","","90","","90","","120","","685.178","","","","","","","","","","","","","4","P 63","P 6c","173","","K3 Sn2 (S O4)3 Cl","","- K3.0001 O3 S3 Sn1.9999 -","- K3.0001 O3 S3 Sn1.9999 -","- K6.0002 O6 S6 Sn3.9998 -","2","0.333333","","Howie, R.A.; Moser, W.; Starks, R.G.; Woodhams, F.W.D.; Parker, W.","Potassium Tin(II) Sulphate and Related Tin Apatites. Moessbauer and X-Ray Studies","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1973","1973","","1478","1484","","","","","","","","","","","","","","","","","","","","","","has coordinates","157008","2020-10-21","18:00:00",""
"4031572","17.76","","17.76","","12.979","","90","","90","","120","","3545.34","","","","","","","","","","","","","3","P 63","P 6c","173","","Bi8 (Ga Cl4)2","","- Bi8 Cl8 Ga2 -","- Bi8 Cl8 Ga2 -","- Bi48 Cl48 Ga12 -","6","1","","Lindsjoe, M.; Fischer, A.; Kloo, L.","Improvements of and insights into the isolation of bismuth polycations from benzene solution - single-crystal structure determinations of Bi8 [Ga Cl4]2 and Bi5 [Ga Cl4]3","European Journal of Inorganic Chemistry","2005","2005","","670","675","","","","","","","","","","","","","","","","","","","","","","has coordinates","161463","2020-10-21","18:00:00",""
"4031801","10.2","","10.2","","11.81","","90","","90","","120","","1064.1","","","","","","","","","","","","","5","P 63","P 6c","173","","Br Sn (Co (C O)4)3","","- C12 Br Co3 O12 Sn -","- C12 Br Co3 O12 Sn -","- C24 Br2 Co6 O24 Sn2 -","2","0.333333","","Ball, R.D.; Hall, D.","The crystal structure of Bromotris(tetracarbonylcobalt) tin(IV)","Journal of Organometallic Chemistry","1973","52","","293","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4034756","15.7405","0.0003","15.7405","0.0003","11.9054","0.0003","90","","90","","120","","2554.53","0.09","150","","150","","","","","","","","","4","P 63","P 6c","173","","","","- C22 H11 N O6 -","- C22 H11 N O6 -","- C132 H66 N6 O36 -","6","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.","The Journal of organic chemistry","2018","83","24","15426","15437","10.1021/acs.joc.8b02706","","x-ray","1.34139","GaKα","","0.1035","0.0968","","","0.2556","0.2804","","","","","","1.252","","","","has coordinates,has disorder","226279","2020-10-21","18:00:00",""
"4035431","15.0636","0.0003","15.0636","0.0003","15.9737","0.0004","90","","90","","120","","3139.02","0.12","93","2","93","2","","","","","","","","3","P 63","P 6c","173","","","","- C22 H36.67 O5.33 -","- C22 H36.6666 O5.33333 -","- C132 H220 O32 -","6","1","","Ma, Xiaoshen; Kucera, Roman; Goethe, Olivia F.; Murphy, Stephen K.; Herzon, Seth B.","Directed C-H Bond Oxidation of (+)-Pleuromutilin.","The Journal of organic chemistry","2018","83","13","6843","6892","10.1021/acs.joc.8b00462","","","0.71073","MoKα","","0.0387","0.0363","","","0.0899","0.0917","","","","","","1.052","","","","has coordinates","226889","2020-10-21","18:00:00",""
"4062675","18.545","0.0018","18.545","0.0018","12.621","0.002","90","","90","","120","","3759.1","0.9","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C21 H15 N3 O9 Os3 -","- C21 H15 N3 O9 Os3 -","- C126 H90 N18 O54 Os18 -","6","1","","","","Organometallics","2004","","","","","10.1021/om040046r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063335","31.7444","0.0016","31.7444","0.0016","25.393","0.003","90","","90","","120","","22160","3","153","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C180 H150 La2 O12 P6 -","- C138 H102 La2 O12 P6 -","- C828 H612 La12 O72 P36 -","6","1","","Xianghua Yu; Tobin J. Marks","Organophosphine Oxide/Sulfide-Substituted Lanthanide Binaphtholate Catalysts for Enantioselective Hydroamination/Cyclization","Organometallics","2007","26","","365","376","10.1021/om0607999","","","0.71073","MoKα","","0.1699","0.0586","","","0.1193","0.1386","","","","","","0.7","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4064029","18.6792","0.0014","18.6792","0.0014","9.874","0.0007","90","","90","","120","","2983.6","0.4","100","2","100","2","","","","","","","","4","P 63","P 6c","173","COMPOUND 3b","","","- C78 H75 Cl Ge4 -","- C78 H75 Cl Ge4 -","- C156 H150 Cl2 Ge8 -","2","0.333333","","Samanamu, Christian R.; Amadoruge, Monika L.; Yoder, Claude H.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.; Materer, Nicholas F.; Weinert, Charles S.","Syntheses, Structures, and Electronic Properties of the Branched Oligogermanes (Ph3Ge)3GeH and (Ph3Ge)3GeX (X = Cl, Br, I)†","Organometallics","2011","30","5","1046","","10.1021/om101091c","","","0.71073","MoKα","","0.0671","0.0487","","","0.1061","0.1173","","","","","","1.047","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064030","18.6599","0.0016","18.6599","0.0016","10.0541","0.0017","90","","90","","120","","3031.7","0.6","100","2","100","2","","","","","","","","4","P 63","P 6c","173","COMPUND 4","","","- C72 H63 Br Ge4 -","- C72 H63 Br Ge4 -","- C144 H126 Br2 Ge8 -","2","0.333333","","Samanamu, Christian R.; Amadoruge, Monika L.; Yoder, Claude H.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.; Materer, Nicholas F.; Weinert, Charles S.","Syntheses, Structures, and Electronic Properties of the Branched Oligogermanes (Ph3Ge)3GeH and (Ph3Ge)3GeX (X = Cl, Br, I)†","Organometallics","2011","30","5","1046","","10.1021/om101091c","","","0.71073","MoKα","","0.0518","0.0375","","","0.0774","0.0846","","","","","","1.044","","","","has coordinates,has disorder","178502","2020-10-21","18:00:00",""
"4065852","19.125","0.005","19.125","0.005","32.076","0.008","90","","90","","120","","10160","5","100","0.1","100","0.1","","","","","","","","5","P 63","P 6c","173","hanjc07","","","- C234 H270 K6 Mn6 O18 -","- C234 H270 K6 Mn6 O18 -","- C468 H540 K12 Mn12 O36 -","2","0.333333","","Crisp, Jeffrey A.; Meier, Ryan M.; Overby, Jason S.; Hanusa, Timothy P.; Rheingold, Arnold L.; Brennessel, William W.","Indenyl Complexes of Manganese(II). Conformational Flexibility of the Manganese(II)−(RnC9H7−n) Bond","Organometallics","2010","29","10","2322","","10.1021/om100162j","","","0.71073","MoKα","","0.1425","0.0758","","","0.177","0.2191","","","","","","1.012","","","","has coordinates,has disorder","178551","2020-10-21","18:00:00",""
"4066281","24.5106","0.0009","24.5106","0.0009","18.9897","0.0007","90","","90","","120","","9880","0.6","173","2","173","2","","","","","","","","5","P 63","P 6c","173","","","","- C59 H92 N6 O3 Zr -","- C59 H92 N6 O3 Zr -","- C354 H552 N36 O18 Zr6 -","6","1","","Leitch, David C.; Schafer, Laurel L.","Zirconium Alkyl Complexes Supported by Ureate Ligands: Synthesis, Characterization, and Precursors to Metal−Element Multiple Bonds†","Organometallics","2010","29","21","5162","","10.1021/om100381d","","","0.71073","MoKα","","0.0424","0.031","","","0.0764","0.0792","","","","","","0.973","","","","has coordinates","178554","2020-10-21","18:00:00",""
"4067935","11.7497","0.0003","11.7497","0.0003","10.9259","0.0003","90","","90","","120","","1306.3","0.06","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C19 H45 Cl3 P3 Ru Si -","- C19 H45 Cl3 P3 Ru Si -","- C38 H90 Cl6 P6 Ru2 Si2 -","2","0.333333","","Cain, Matthew F.; Glueck, David S.; Golen, James A.; Rheingold, Arnold L.","Asymmetric Synthesis and Metal Complexes of aC3-Symmetric P-Stereogenic Triphosphine, (R)-MeSi(CH2PMe(t-Bu))3(MT-Siliphos)","Organometallics","2012","31","3","775","","10.1021/om200930k","","","0.71073","MoKα","","0.0335","0.0297","","","0.0756","0.0777","","","","","","1.031","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4077624","15.1044","0.0017","15.1044","0.0017","18.419","0.002","90","","90","","120","","3639.2","0.7","213","2","213","2","","","","","","","","5","P 63","P 6c","173","","","","- C84 H84 Na3 O12 Yb -","- C84 H84 Na3 O12 Yb -","- C168 H168 Na6 O24 Yb2 -","2","0.333333","","Aspinall, Helen C.; Bickley, Jamie F.; Dwyer, Jennifer L. M.; Greeves, Nicholas; Kelly, Richard V.; Steiner, Alexander","Pinwheel-Shaped Heterobimetallic Lanthanide Alkali Metal Binaphtholates: Ionic Size Matters!","Organometallics","2000","19","25","5416","","10.1021/om0006256","","","0.71073","MoKα","","0.031","0.0269","","","0.0632","0.0645","","","","","","1.097","","","","has coordinates,has disorder","178665","2020-10-21","18:00:00",""
"4077625","15.2581","0.0017","15.2581","0.0017","18.207","0.002","90","","90","","120","","3670.9","0.7","213","2","213","2","","","","","","","","5","P 63","P 6c","173","","","","- C84 H84 La Na3 O13 -","- C84 H84 La Na3 O13 -","- C168 H168 La2 Na6 O26 -","2","0.333333","","Aspinall, Helen C.; Bickley, Jamie F.; Dwyer, Jennifer L. M.; Greeves, Nicholas; Kelly, Richard V.; Steiner, Alexander","Pinwheel-Shaped Heterobimetallic Lanthanide Alkali Metal Binaphtholates: Ionic Size Matters!","Organometallics","2000","19","25","5416","","10.1021/om0006256","","","0.71073","MoKα","","0.0341","0.025","","","0.0528","0.0545","","","","","","0.933","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4078132","24.6933","0.0005","24.6933","0.0005","13.8075","0.0003","90","","90","","120","","7291.3","0.3","173","1","173","1","","","","","","","","5","P 63","P 6c","173","","","","- C47 H69 Fe2 S3 Si3 -","- C47 H69 Fe2 S3 Si3 -","- C282 H414 Fe12 S18 Si18 -","6","1","","Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis of Sulfur- and Nitrogen-Bridged Diiron Complexes and Catalytic Behavior toward Hydrazines","Organometallics","2012","31","8","2953","","10.1021/om300134t","","","0.71069","MoKα","","0.0439","0.035","","","0.0841","0.0873","","","","","","1.058","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4086113","11.6507","0.0011","11.6507","0.0011","10.0984","0.001","90","","90","","120","","1187.1","0.2","133","2","133","2","","","","","","","","4","P 63","P 6c","173","","","","- C31 H29 O Y -","- C30.9996 H28.9992 O Y -","- C61.9992 H57.9984 O2 Y2 -","2","0.333333","","Corbey, Jordan F.; Woen, David H.; Palumbo, Chad T.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Ligand Effects in the Synthesis of Ln2+Complexes by Reduction of Tris(cyclopentadienyl) Precursors Including C‒H Bond Activation of an Indenyl Anion","Organometallics","2015","34","15","3909","","10.1021/acs.organomet.5b00500","","","0.71073","MoKα","","0.0346","0.0335","","","0.0859","0.0866","","","","","","1.103","","","","has coordinates,has disorder","154729","2020-10-21","18:00:00",""
"4086235","11.6494","0.0011","11.6494","0.0011","10.0857","0.0009","90","","90","","120","","1185.34","0.19","133","2","133","2","","","","","","","","4","P 63","P 6c","173","","","","- C31 H29 Dy O -","- C30.9996 H28.9992 Dy O -","- C61.9992 H57.9984 Dy2 O2 -","2","0.333333","","Corbey, Jordan F.; Woen, David H.; Palumbo, Chad T.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Ligand Effects in the Synthesis of Ln2+Complexes by Reduction of Tris(cyclopentadienyl) Precursors Including C‒H Bond Activation of an Indenyl Anion","Organometallics","2015","34","15","3909","","10.1021/acs.organomet.5b00500","","","0.71073","MoKα","","0.0258","0.0224","","","0.053","0.0544","","","","","","1.095","","","","has coordinates,has disorder","154504","2020-10-21","18:00:00",""
"4088770","18.4755","0.0012","18.4755","0.0012","9.9813","0.0006","90","","90","","120","","2950.6","0.3","173","2","173","2","","","","","","","","5","P 63","P 6c","173","AJ-I-97","""AJ-I-97""","","- C55 H45 Ni O P3 -","- C55 H45 Ni O P3 -","- C110 H90 Ni2 O2 P6 -","2","0.333333","","John, Alex; Miranda, Maria O.; Ding, Keying; Dereli, Büsra; Ortuño, Manuel A.; LaPointe, Anne M.; Coates, Geoffrey W.; Cramer, Christopher J.; Tolman, William B.","Nickel Catalysts for the Dehydrative Decarbonylation of Carboxylic Acids to Alkenes","Organometallics","2016","35","14","2391","","10.1021/acs.organomet.6b00415","","","0.71073","MoKα","","0.0364","0.0308","","","0.0615","0.0632","","","","","","0.978","","","","has coordinates","237814","2020-10-21","18:00:00",""
"4100769","26.4164","0.0005","26.4164","0.0005","13.6104","0.0002","90","","90","","120","","8225.2","0.3","150","1","150","1","","","","","","","","5","P 63","P 6c","173","","","","- C132 H234 O21 P12 Pt6 -","- C132 H216 O21.03 P12 Pt6 -","- C264 H432 O42.06 P24 Pt12 -","2","0.333333","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100770","26.2312","0.0009","26.2312","0.0009","14.5061","0.0005","90","","90","","120","","8644.1","0.5","150","1","150","1","","","","","","","","6","P 63","P 6c","173","","","","- C140 H218 Cl6 O12 P12 Pt6 -","- C139.99 H217.99 Cl5.97 O12 P12 Pt6 -","- C279.98 H435.98 Cl11.94 O24 P24 Pt12 -","2","0.333333","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101633","20.1518","0.0009","20.1518","0.0009","7.9277","0.0009","90","","90","","120","","2788.1","0.4","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C36 H30 I9 N9 O6 Pb3 -","- C36 H30 I9 N9 O6 Pb3 -","- C72 H60 I18 N18 O12 Pb6 -","2","0.333333","","Zhao, Hai-Rong; Li, Dong-Ping; Ren, Xiao-Ming; Song, You; Jin, Wan-Qin","Larger spontaneous polarization ferroelectric inorganic-organic hybrids: [PbI3](infinity) chains directed organic cations aggregation to Kagomé-shaped tubular architecture.","Journal of the American Chemical Society","2010","132","1","18","19","10.1021/ja907562m","","","0.71073","MoKα","","0.0389","0.025","","","0.0425","0.0455","","","","","","1.007","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101634","20.028","0.0012","20.028","0.0012","8.0181","0.0009","90","","90","","120","","2785.3","0.4","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C36 H30 Br3 I9 N6 Pb3 -","- C36 H30 Br3 I9 N6 Pb3 -","- C72 H60 Br6 I18 N12 Pb6 -","2","0.333333","","Zhao, Hai-Rong; Li, Dong-Ping; Ren, Xiao-Ming; Song, You; Jin, Wan-Qin","Larger spontaneous polarization ferroelectric inorganic-organic hybrids: [PbI3](infinity) chains directed organic cations aggregation to Kagomé-shaped tubular architecture.","Journal of the American Chemical Society","2010","132","1","18","19","10.1021/ja907562m","","","0.71073","MoKα","","0.0997","0.075","","","0.1893","0.1987","","","","","","1.037","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101635","20.025","0.003","20.025","0.003","7.975","0.0016","90","","90","","120","","2769.5","0.8","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C12 H10 Cl I3 N2 Pb -","- C12 H10 Cl I3 N2 Pb -","- C72 H60 Cl6 I18 N12 Pb6 -","6","1","","Zhao, Hai-Rong; Li, Dong-Ping; Ren, Xiao-Ming; Song, You; Jin, Wan-Qin","Larger spontaneous polarization ferroelectric inorganic-organic hybrids: [PbI3](infinity) chains directed organic cations aggregation to Kagomé-shaped tubular architecture.","Journal of the American Chemical Society","2010","132","1","18","19","10.1021/ja907562m","","","0.71073","MoKα","","0.0974","0.0548","","","0.1128","0.1336","","","","","","1.072","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101636","19.9426","0.0006","19.9426","0.0006","7.8618","0.0003","90","","90","","120","","2707.8","0.15","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C36 H30 F3 I9 N6 Pb3 -","- C36 H30 F3 I9 N6 Pb3 -","- C72 H60 F6 I18 N12 Pb6 -","2","0.333333","","Zhao, Hai-Rong; Li, Dong-Ping; Ren, Xiao-Ming; Song, You; Jin, Wan-Qin","Larger spontaneous polarization ferroelectric inorganic-organic hybrids: [PbI3](infinity) chains directed organic cations aggregation to Kagomé-shaped tubular architecture.","Journal of the American Chemical Society","2010","132","1","18","19","10.1021/ja907562m","","","0.71073","MoKα","","0.0532","0.0304","","","0.057","0.0593","","","","","","0.888","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4102681","12.5919","0.0003","12.5919","0.0003","8.2015","0.0002","90","","90","","120","","1126.18","0.05","110","","110","","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 N O6 Zn -","- C3 H7 N O6 Zn -","- C18 H42 N6 O36 Zn6 -","6","1","","Guan-Cheng Xu; Xiao-Ming Ma; Li Zhang; Zhe-Ming Wang; Song Gao","Disorder-Order Ferroelectric Transition in the Metal Formate Framework of [NH4][Zn(HCOO)3]","Journal of the American Chemical Society","2010","132","","9588","9590","10.1021/ja104263m","","","0.71073","MoKα","","0.0729","0.0306","","","0.076","0.0855","","","","","","0.907","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4104071","20.6143","0.0002","20.6143","0.0002","17.9025","0.0003","90","","90","","120","","6588.42","0.14","100","","100","","","","","","","","dichloromethane/pentane","5","P 63","P 6c","173","","tris((2'-phenylcarboxy-1,1'-(S)binaphthalen-2-yl)-oxy)phosphine dichloromethane solute","","- C82 H53 Cl2 O9 P -","- C81 H51 Cl1.995 O9 P -","- C324 H204 Cl7.98 O36 P4 -","4","0.666667","","Manfred T. Reetz; Hongchao Guo; Jun-An Ma; Richard Goddard; Richard J. Mynott","Helical Triskelion Monophosphites as Ligands in Asymmetric Catalysis","Journal of the American Chemical Society","2009","131","","4136","4142","10.1021/ja809297a","","","0.71073","MoKα","","0.0966","0.0765","","","0.1671","0.1784","","","","","","1.077","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104385","9.649","0.003","9.649","0.003","5.198","0.003","90","","90","","120","","419.1","0.3","296","2","296","2","","","","","","","","4","P 63","P 6c","173","","","","- I6 Na2 O18 Ti -","- I6 Na2 O18 Ti -","- I6 Na2 O18 Ti -","1","0.166667","","Hong-Young Chang; Sang-Hwan Kim; Kang Min Ok; P. Shiv Halasyamani","Polar or Nonpolar? A+ Cation Polarity Control in A2Ti(IO3)6 (A = Li, Na, K, Rb, Cs, Tl)","Journal of the American Chemical Society","2009","131","","6865","6873","10.1021/ja9015099","","","0.71073","MoKα","","0.0505","0.0354","","","0.0553","0.0581","","","","","","1.099","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4105046","9.3808","0.0014","9.3808","0.0014","15.8006","0.0014","90","","90","","120","","1204.2","0.3","100","2","100","2","","","","","","","","6","P 63","P 6c","173","{NH(prol)3}[MnCr(ox)3](H2O)2","{NH(prol)3}[MnCr(ox)3](H2O)2","","- C15 H26 Cr Mn N O17 -","- C15 Cr Mn N O16.99 -","- C30 Cr2 Mn2 N2 O33.98 -","2","0.333333","","Hisashi Ōkawa; Akihito Shigematsu; Masaaki Sadakiyo; Takuya Miyagawa; Ko Yoneda; Masaaki Ohba; Hiroshi Kitagawa","Oxalate-Bridged Bimetallic Complexes {NH(prol)3}[MCr(ox)3] (M = MnII, FeII, CoII; NH(prol)3+= Tri(3-hydroxypropyl)ammonium) Exhibiting Coexistent Ferromagnetism and Proton Conduction","Journal of the American Chemical Society","2009","131","","13516","13522","10.1021/ja905368d","","","0.71069","MoKα","","0.0841","0.0805","","","0.219","0.2283","","","","","","1.215","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105690","21.974","0.003","21.974","0.003","10.8958","0.0017","90","","90","","120","","4556.3","1.1","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- C26.08 H27.16 N5 O4.36 -","- C26.08 H27.16 N5 O4.36 -","- C156.48 H162.96 N30 O26.16 -","6","1","","Xue Gao; Yit-Heng Chooi; Brian D. Ames; Peng Wang; Christopher T. Walsh; Yi Tang","Fungal Indole Alkaloid Biosynthesis: Genetic and Biochemical Investigation of the Tryptoquialanine Pathway in Penicillium aethiopicum","Journal of the American Chemical Society","2011","133","","2729","2741","10.1021/ja1101085","","","0.71073","MoKα","","0.0942","0.0703","","","0.1593","0.1713","","","","","","1.081","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4106844","12.6685","0.0003","12.6685","0.0003","8.5374","0.0002","90","","90","","120","","1186.61","0.05","110","2","110","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 Mn N O6 -","- C3 H7 Mn N O6 -","- C18 H42 Mn6 N6 O36 -","6","1","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.0544","0.0317","","","0.0806","0.0867","","","","","","0.979","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106846","12.6167","0.0003","12.6167","0.0003","8.3647","0.0002","90","","90","","120","","1153.11","0.05","110","","110","","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 Fe N O6 -","- C3 H7 Fe N O6 -","- C18 H42 Fe6 N6 O36 -","6","1","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.0444","0.0287","","","0.0799","0.0852","","","","","","1.022","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106848","12.5871","0.0003","12.5871","0.0003","8.2237","0.0002","90","","90","","120","","1128.36","0.05","110","","110","","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 Co N O6 -","- C3 H7 Co N O6 -","- C18 H42 Co6 N6 O36 -","6","1","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.0624","0.0297","","","0.0768","0.086","","","","","","0.941","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106851","12.5919","0.0003","12.5919","0.0003","8.2015","0.0002","90","","90","","120","","1126.18","0.05","110","","110","","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 N O6 Zn -","- C3 H7 N O6 Zn -","- C18 H42 N6 O36 Zn6 -","6","1","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.0729","0.0306","","","0.076","0.0855","","","","","","0.907","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4107928","21.498","0.003","21.498","0.003","10.836","0.003","90","","90","","120","","4337.1","1.5","105","2","105","2","","","","","","","","4","P 63","P 6c","173","","","","- C25 H45 N5 O5 -","- C25 H45 N5 O5 -","- C150 H270 N30 O30 -","6","1","","Felix Freire; John D. Fisk; Aaron J. Peoples; Monika Ivancic; Ilia A. Guzei; Samuel H. Gellman","Diacid Linkers That Promote Parallel β-Sheet Secondary Structure in Water","Journal of the American Chemical Society","2008","130","","7839","7841","10.1021/ja802042c","","","0.71073","Mo-Kα","","0.1299","0.1025","","","0.2581","0.2898","","","","","","1.035","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108167","23.452","0.003","23.452","0.003","10.6808","0.0015","90","","90","","120","","5087.4","1.2","173","2","173","2","","","","","","","synthesis as described","7","P 63","P 6c","173","","","","- C56 H96 F6 O6 P6 Pd3 S2 -","- C56 H96 F6 O6 P6 Pd3 S2 -","- C168 H288 F18 O18 P18 Pd9 S6 -","3","0.5","","Miguel Baya; Jennifer Houghton; Denes Konya; Yohan Champouret; Jean-Claude Daran; Karina Q. Almeida Leñero; Lodewijk Schoon; Wilhelmus P. Mul; A. Bart van Oort; Nicolaas Meijboom; Eite Drent; A. Guy Orpen; Rinaldo Poli","Pd(I) Phosphine Carbonyl and Hydride Complexes Implicated in the Palladium-Catalyzed Oxo Process","Journal of the American Chemical Society","2008","130","","10612","10624","10.1021/ja8012903","","","0.71073","MoKα","","0.0888","0.0752","","","0.1853","0.1907","","","","","","1.106","","","","has coordinates,has disorder","178827","2020-10-21","18:00:00",""
"4108318","19.611","0.003","19.611","0.003","10.628","0.002","90","","90","","120","","3539.8","1","296","2","296","2","","","","","","","","5","P 63","P 6c","173","","","","- C21 H28 Cl N O6 -","- C21 H28 Cl N O6 -","- C126 H168 Cl6 N6 O36 -","6","1","","Ryan C. Clark; Sang Yeul Lee; Dale L. Boger","Total Synthesis of Chlorofusin, Its Seven Chromophore Diastereomers, and Key Partial Structures","Journal of the American Chemical Society","2008","130","","12355","12369","10.1021/ja8012819","","","0.71073","MoKα","","0.1321","0.108","","","0.2463","0.2632","","","","","","1.186","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108346","14.841","0.002","14.841","0.002","15.8111","0.0008","90","","90","","120","","3015.9","0.6","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C66 H114 N3 O4 U -","- C66 H78 N3 O4 U -","- C132 H156 N6 O8 U2 -","2","0.333333","","Suzanne C. Bart; Christian Anthon; Frank W. Heinemann; Eckhard Bill; Norman M. Edelstein; Karsten Meyer","Carbon Dioxide Activation with Sterically Pressured Mid- and High-Valent Uranium Complexes","Journal of the American Chemical Society","2008","130","","12536","12546","10.1021/ja804263w","","","0.71073","MoKα","","0.0766","0.0359","","","0.0864","0.0996","","","","","","1.125","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4110176","27.816","0.004","27.816","0.004","26.484","0.005","90","","90","","120","","17746","5","103","2","103","2","","","","","","","","5","P 63","P 6c","173","","","","- C258 H198 Mn15 N36 O60 -","- C258 H135 Mn15 N36 O60 -","- C516 H270 Mn30 N72 O120 -","2","0.333333","","Rohith P. John; Mira Park; Dohyun Moon; Kyungjin Lee; Seunghee Hong; Yang Zou; Chang Seop Hong; Myoung Soo Lah","A Chiral Pentadecanuclear Metallamacrocycle with a Sextuple Twisted Möbius Topology","Journal of the American Chemical Society","2007","129","","14142","14143","10.1021/ja075945w","","","0.7","synchrotron","","0.1341","0.0897","","","0.2418","0.2676","","","","","","0.859","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4113713","15.286","0.001","15.286","0.001","18.709","0.002","90","","90","","120","","3785.9","0.5","293","2","298","2","","","","","","","","5","P 63","P 6c","173","","Ytterbium(iii)trisodiumtris-(S)-1,1'-bis(2-naphtoate) tetrahydrofurane solvate","","- C84 H84 Na3 O12 Yb -","- C84 H84 Na3 O12 Yb -","- C168 H168 Na6 O24 Yb2 -","2","0.333333","","Lorenzo Di Bari; Moreno Lelli; Guido Pintacuda; Gennaro Pescitelli; Fabio Marchetti; Piero Salvadori","Solution versus Solid-State Structure of Ytterbium Heterobimetallic Catalysts","Journal of the American Chemical Society","2003","125","","5549","5558","10.1021/ja0297640","","","0.71073","MoKα","","0.0789","0.0395","","","0.0801","0.0925","","","","","","1.037","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113798","12.2272","0.0007","12.2272","0.0007","15.8762","0.0017","90","","90","","120","","2055.6","0.3","193","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C12.5 H33 N3 O10 P -","- C12.5 H25.485 N3 O10 P -","- C50 H101.94 N12 O40 P4 -","4","0.666667","","Kannan Raghuraman; Kavita K. Katti; Leonard J. Barbour; Nagavarakishore Pillarsetty; Charles L. Barnes; Kattesh V. Katti","Characterization of Supramolecular (H2O)18 Water Morphology and Water-Methanol (H2O)15(CH3OH)3 Clusters in a Novel Phosphorus Functionalized Trimeric Amino Acid Host","Journal of the American Chemical Society","2003","125","","6955","6961","10.1021/ja034682c","","","0.71073","MoKα","","0.0738","0.0529","","","0.1191","0.128","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113799","12.2122","0.0004","12.2122","0.0004","15.8761","0.0011","90","","90","","120","","2050.51","0.17","193","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C12.5 H33 N3 O10 P -","- C12.5 H25.485 N3 O10 P -","- C50 H101.94 N12 O40 P4 -","4","0.666667","","Kannan Raghuraman; Kavita K. Katti; Leonard J. Barbour; Nagavarakishore Pillarsetty; Charles L. Barnes; Kattesh V. Katti","Characterization of Supramolecular (H2O)18 Water Morphology and Water-Methanol (H2O)15(CH3OH)3 Clusters in a Novel Phosphorus Functionalized Trimeric Amino Acid Host","Journal of the American Chemical Society","2003","125","","6955","6961","10.1021/ja034682c","","","0.71073","MoKα","","0.0723","0.0519","","","0.1138","0.122","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113800","12.3133","0.0003","12.3133","0.0003","16.0239","0.0009","90","","90","","120","","2104.01","0.14","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C12.5 H33 N3 O10 P -","- C12.5 H25.485 N3 O10 P -","- C50 H101.94 N12 O40 P4 -","4","0.666667","","Kannan Raghuraman; Kavita K. Katti; Leonard J. Barbour; Nagavarakishore Pillarsetty; Charles L. Barnes; Kattesh V. Katti","Characterization of Supramolecular (H2O)18 Water Morphology and Water-Methanol (H2O)15(CH3OH)3 Clusters in a Novel Phosphorus Functionalized Trimeric Amino Acid Host","Journal of the American Chemical Society","2003","125","","6955","6961","10.1021/ja034682c","","","0.71073","MoKα","","0.0653","0.0415","","","0.1007","0.1166","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113801","12.2838","0.0007","12.2838","0.0007","15.7572","0.0014","90","","90","","120","","2059.1","0.2","193","2","193","2","","","","","","","","5","P 63","P 6c","173","","","","- C12 H32 N3 O10 P -","- C8 H16 N2 O6.66667 P0.666667 -","- C48 H96 N12 O40 P4 -","6","1","","Kannan Raghuraman; Kavita K. Katti; Leonard J. Barbour; Nagavarakishore Pillarsetty; Charles L. Barnes; Kattesh V. Katti","Characterization of Supramolecular (H2O)18 Water Morphology and Water-Methanol (H2O)15(CH3OH)3 Clusters in a Novel Phosphorus Functionalized Trimeric Amino Acid Host","Journal of the American Chemical Society","2003","125","","6955","6961","10.1021/ja034682c","","","0.71073","MoKα","","0.0727","0.0485","","","0.1274","0.1401","","","","","","1.066","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4116305","18.458","0.005","18.458","0.005","15.936","0.005","90","","90","","120","","4702","2","15","0.5","15","","","","","","","","","4","P 63","P 6c","173","","","","- C24 H53 La Si4 -","- C24 H53 La Si4 -","- C144 H318 La6 Si24 -","6","1","","Wim T. Klooster; Lee Brammer; Colin J. Schaverien; Peter H. M. Budzelaar","C-H Bonds Are Not Elongated by Coordination to Lanthanide Metals: Single-Crystal Neutron Diffraction Structures of (C5Me5)Y(OC6H3tBu2)CH(SiMe3)2 at 20 K and (C5Me5)La{CH(SiMe3)2}2 at 15 K","Journal of the American Chemical Society","1999","121","","1381","1382","10.1021/ja983068b","","neutron","1.15863","neutron","","0.221","0.221","","0.101","0.101","","","","1.289","1.289","1.289","","","","","has coordinates","282086","2023-03-28","13:50:54",""
"4117074","20.82","0.006","20.82","0.006","11.68","0.005","90","","90","","120","","4385","3","183","2","183","2","","","","","","","","5","P 63","P 6c","173","","","","- C21 H50 Mo N4 Si3 -","- C21 H50 Mo N4 Si3 -","- C126 H300 Mo6 N24 Si18 -","6","1","","Richard R. Schrock; Scott W. Seidel; Nadia C. Mösch-Zanetti; Keng-Yu Shih; Myra B. O'Donoghue; William M. Davis; William M. Reiff","Synthesis and Decomposition of Alkyl Complexes of Molybdenum(IV) That Contain a [(Me3SiNCH2CH2)3N]3- Ligand. Direct Detection of α-Elimination Processes That Are More than Six Orders of Magnitude Faster than β-Elimination Processes","Journal of the American Chemical Society","1997","119","","11876","11893","10.1021/ja970697x","","","0.71073","MoKα","","0.067","0.0569","","0.1702","0.1488","","","","1.113","1.142","1.142","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4118878","16.4064","0.0011","16.4064","0.0011","13.5188","0.0018","90","","90","","120","","3151.3","0.5","153","2","153","2","","","","","","","","5","P 63","P 6c","173","","","","- C7 H18 Br4 Fe N -","- C6.99975 H17.9993 Br4 Fe N -","- C55.998 H143.994 Br32 Fe8 N8 -","8","1.33333","","Hong-Ling Cai; Yi Zhang; Da-Wei Fu; Wen Zhang; Tao Liu; Hirofumi Yoshikawa; Kunio Awaga; Ren-Gen Xiong","Above-Room-Temperature Magnetodielectric Coupling in a Possible Molecule-Based Multiferroic: Triethylmethylammonium Tetrabromoferrate(III)","Journal of the American Chemical Society","2012","134","","18487","18490","10.1021/ja3073319","","","0.71073","MoKα","","0.1457","0.1378","","","0.4237","0.4495","","","","","","1.487","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4119840","35.098","0.003","35.098","0.003","15.8896","0.0014","90","","90","","120","","16952","3","173","2","173","2","","","","","","","","8","P 63","P 6c","173","","","","- C73 H90 Cu2 F6 N10 O25.33 Rh4 S2 -","- C72 H86 Cu2 F3 N10 O22.3333 Rh4 S -","- C432 H516 Cu12 F18 N60 O134 Rh24 S6 -","6","1","","Sheng-Li Huang; Yue-Jian Lin; T. S. Andy Hor; Guo-Xin Jin","Cp*Rh-Based Heterometallic Metallarectangles: Size-Dependent Borromean Link Structures and Catalytic Acyl Transfer","Journal of the American Chemical Society","2013","135","","8125","8128","10.1021/ja402630g","","","0.71073","MoKα","","0.0831","0.0613","","","0.164","0.1788","","","","","","1.027","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4121076","12.568","0.003","12.568","0.003","15.851","0.003","90","","90","","120","","2168.3","0.8","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C38 H64 B Na O7 Si3 -","- C34 H55.202 B Na O6 Si3 -","- C68 H110.404 B2 Na2 O12 Si6 -","2","0.333333","","Hui Li; Adelia J. A. Aquino; David B. Cordes; Fernando Hung-Low; William L. Hase; Clemens Krempner","A Zwitterionic Carbanion Frustrated by Boranes - Dihydrogen Cleavage with Weak Lewis Acids via an ""Inverse"" Frustrated Lewis Pair Approach","Journal of the American Chemical Society","2013","135","","16066","16069","10.1021/ja409330h","","","0.71073","MoKα","","0.1033","0.0811","","","0.2262","0.2442","","","","","","1.089","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121343","15.0951","0.0004","15.0951","0.0004","19.9811","0.0008","90","","90","","120","","3943","0.2","143","1","143","1","","","","","","","","7","P 63","P 6c","173","","","","- C72 H72 Ce I Li3 N6 O6 -","- C72 H72 Ce I Li3 N6 O6 -","- C144 H144 Ce2 I2 Li6 N12 O12 -","2","0.333333","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.1019","0.0554","","","0.131","0.1436","","","","","","0.995","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121344","15.133","0.0005","15.133","0.0005","19.5974","0.0009","90","","90","","120","","3886.7","0.3","143","1","143","1","","","","","","","","7","P 63","P 6c","173","","","","- C72 H72 Br Ce Li3 N6 O6 -","- C72 H72 Br Ce Li3 N6 O6 -","- C144 H144 Br2 Ce2 Li6 N12 O12 -","2","0.333333","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.1342","0.1022","","","0.2571","0.269","","","","","","1.137","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4123227","18.9377","0.0013","18.9377","0.0013","8.0529","0.0004","90","","90","","120","","2501.1","0.3","293","2","293","2","500000","","500000","","","","","3","P 63","P 6c","173","AlPO4-54.xH2O","","","- Al18 O111 P18 -","- Al18 O108 P18 -","- Al18 O108 P18 -","1","0.166667","","Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien","Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure.","Journal of the American Chemical Society","2015","137","2","584","587","10.1021/ja511153n","","","0.5","synchrotron","","0.1429","0.0655","","","0.1311","0.1554","","","","","","0.814","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123228","18.7342","0.0009","18.7342","0.0009","7.8979","0.0003","90","","90","","120","","2400.56","0.19","293","2","293","2","1200000","","1200000","","","","","3","P 63","P 6c","173","AlPO4-54.xH2O","","","- Al18 O111 P18 -","- Al18 O108 P18 -","- Al18 O108 P18 -","1","0.166667","","Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien","Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure.","Journal of the American Chemical Society","2015","137","2","584","587","10.1021/ja511153n","","","0.5","synchrotron","","0.1071","0.0647","","","0.1482","0.1854","","","","","","0.976","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123229","18.822","0.002","18.822","0.002","7.9759","0.0006","90","","90","","120","","2447","0.4","293","2","293","2","700000","","700000","","","","","3","P 63","P 6c","173","AlPO4-54.xH2O","","","- Al18 O111 P18 -","- Al18 O108 P18 -","- Al18 O108 P18 -","1","0.166667","","Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien","Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure.","Journal of the American Chemical Society","2015","137","2","584","587","10.1021/ja511153n","","","0.5","synchrotron","","0.1186","0.0813","","","0.1876","0.2022","","","","","","0.99","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123230","18.956","0.002","18.956","0.002","8.086","0.0008","90","","90","","120","","2516.3","0.5","293","2","293","2","200000","","200000","","","","","3","P 63","P 6c","173","AlPO4-54.xH2O","","","- Al18 O111 P18 -","- Al18 O108 P18 -","- Al18 O108 P18 -","1","0.166667","","Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien","Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure.","Journal of the American Chemical Society","2015","137","2","584","587","10.1021/ja511153n","","","0.5","synchrotron","","0.1828","0.0622","","","0.1338","0.1663","","","","","","0.746","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123231","18.8821","0.0013","18.8821","0.0013","8.0281","0.0004","90","","90","","120","","2478.8","0.3","293","2","293","2","400000","","400000","","","","","3","P 63","P 6c","173","AlPO4-54.xH2O","","","- Al18 O111 P18 -","- Al18 O108 P18 -","- Al18 O108 P18 -","1","0.166667","","Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien","Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure.","Journal of the American Chemical Society","2015","137","2","584","587","10.1021/ja511153n","","","0.5","synchrotron","","0.1127","0.0767","","","0.1819","0.1982","","","","","","0.961","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123715","15.9457","0.0013","15.9457","0.0013","7.7504","0.0007","90","","90","","120","","1706.6","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","trimethylammonium_Germanium_iodide","","","- C3 H10 Ge I3 N -","- C3 Ge I3 N -","- C18 Ge6 I18 N6 -","6","1","","Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G.","Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties.","Journal of the American Chemical Society","2015","137","21","6804","6819","10.1021/jacs.5b01025","","","0.71073","MoKα","","0.1076","0.0692","","","0.1692","0.1922","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124295","22.3539","0.0006","22.3539","0.0006","7.4198","0.0002","90","","90","","120","","3210.92","0.15","100","2","99.98","","","","","","","","","5","P 63","P 6c","173","","","","- C21 H32 Cl N O2 -","- C21 H32 Cl N O2 -","- C126 H192 Cl6 N6 O12 -","6","1","","Larson, Reed T.; Pemberton, Ryan P.; Franke, Jenna M.; Tantillo, Dean J.; Thomson, Regan J.","Total Synthesis of the Galbulimima Alkaloids Himandravine and GB17 Using Biomimetic Diels-Alder Reactions of Double Diene Precursors.","Journal of the American Chemical Society","2015","137","34","11197","11204","10.1021/jacs.5b07710","","","1.54178","CuKα","","0.0229","0.0228","","","0.0615","0.0616","","","","","","1.04","","","","has coordinates","154649","2020-10-21","18:00:00",""
"4124880","27.046","0.0005","27.046","0.0005","37.5383","0.0009","90","","90","","120","","23780","0.8","180","2","180","2","","","","","","","","7","P 63","P 6c","173","","","","- C190 H177 F24 N27 O36 S8 Zn4 -","- C189 H177 F20.9998 N27 O32.9999 S6.99995 Zn4 -","- C756 H707.999 F83.9994 N108 O131.999 S27.9998 Zn16 -","4","0.666667","","Mosquera, Jesús; Ronson, Tanya K.; Nitschke, Jonathan R.","Subcomponent Flexibility Enables Conversion between D4-Symmetric Cd(II)8L8 and T-Symmetric Cd(II)4L4 Assemblies.","Journal of the American Chemical Society","2016","138","6","1812","1815","10.1021/jacs.5b12955","","","1.54178","CuKα","","0.085","0.0617","","","0.1598","0.1711","","","","","","1.039","","","","has coordinates,has disorder","177405","2020-10-21","18:00:00",""
"4125285","8.751","0.0012","8.751","0.0012","5.8981","0.0012","90","","90","","120","","391.16","0.11","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- B Bi3 O9 Te -","- B Bi3 O9 Te -","- B2 Bi6 O18 Te2 -","2","0.333333","","Xia, Mingjun; Jiang, Xingxing; Lin, Zheshuai; Li, Rukang","""All-Three-in-One"": A New Bismuth-Tellurium-Borate Bi3TeBO9 Exhibiting Strong Second Harmonic Generation Response.","Journal of the American Chemical Society","2016","138","43","14190","14193","10.1021/jacs.6b08813","","","0.71073","MoKα","","0.0275","0.025","","","0.0465","0.0469","","","","","","0.985","","","","has coordinates","187913","2020-10-21","18:00:00",""
"4126206","19.4252","0.0006","19.4252","0.0006","12.1355","0.0004","90","","90","","120","","3965.7","0.2","93","","93","","","","","","","","","5","P 63","P 6c","173","","","","- C21 H22 Cl3 N3 O3 -","- C21 H22 Cl3 N3 O3 -","- C126 H132 Cl18 N18 O18 -","6","1","","Sun, Bo; Balaji, Pandur Venkatesan; Kumagai, Naoya; Shibasaki, Masakatsu","α-Halo Amides as Competent Latent Enolates: Direct Catalytic Asymmetric Mannich-Type Reaction.","Journal of the American Chemical Society","2017","139","24","8295","8301","10.1021/jacs.7b03291","","","1.54187","CuKα","","0.0495","0.045","","","0.1009","0.103","","","","","","1.007","","","","has coordinates","200663","2020-10-21","18:00:00",""
"4126207","19.4558","0.0004","19.4558","0.0004","11.4079","0.0002","90","","90","","120","","3739.68","0.13","93","","93","","","","","","","","","6","P 63","P 6c","173","","","","- C21 H23 Cl F N3 O3 -","- C21 H23 Cl F N3 O3 -","- C126 H138 Cl6 F6 N18 O18 -","6","1","","Sun, Bo; Balaji, Pandur Venkatesan; Kumagai, Naoya; Shibasaki, Masakatsu","α-Halo Amides as Competent Latent Enolates: Direct Catalytic Asymmetric Mannich-Type Reaction.","Journal of the American Chemical Society","2017","139","24","8295","8301","10.1021/jacs.7b03291","","","1.54187","CuKα","","0.0508","0.0486","","","0.1266","0.128","","","","","","1.063","","","","has coordinates","200663","2020-10-21","18:00:00",""
"4126357","19.4525","0.0006","19.4525","0.0006","11.7848","0.0002","90","","90","","120","","3861.92","0.18","93","","93","","","","","","","","","5","P 63","P 6c","173","","","","- C21 H23 Cl2 N3 O3 -","- C21 H23 Cl2 N3 O3 -","- C126 H138 Cl12 N18 O18 -","6","1","","Sun, Bo; Balaji, Pandur Venkatesan; Kumagai, Naoya; Shibasaki, Masakatsu","α-Halo Amides as Competent Latent Enolates: Direct Catalytic Asymmetric Mannich-Type Reaction.","Journal of the American Chemical Society","2017","139","24","8295","8301","10.1021/jacs.7b03291","","","1.54187","CuKα","","0.0533","0.0478","","","0.1121","0.1156","","","","","","1.021","","","","has coordinates","200236","2020-10-21","18:00:00",""
"4127503","15.076","0.0004","15.076","0.0004","6.6648","0.0002","90","","90","","120","","1311.87","0.06","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- C12 H33 Cd2 Cl7 F3 N3 -","- C12 H33 Cd2 Cl7 F3 N3 -","- C24 H66 Cd4 Cl14 F6 N6 -","2","0.333333","","Wang, Zhong-Xia; Zhang, Yi; Tang, Yuan-Yuan; Li, Peng-Fei; Xiong, Ren-Gen","Fluoridation Achieved Antiperovskite Molecular Ferroelectric in [(CH<sub>3</sub>)<sub>2</sub>(F-CH<sub>2</sub>CH<sub>2</sub>)NH]<sub>3</sub>(CdCl<sub>3</sub>)(CdCl<sub>4</sub>).","Journal of the American Chemical Society","2019","141","10","4372","4378","10.1021/jacs.8b13109","","","0.71073","MoKα","","0.0324","0.0266","","","0.0454","0.047","","","","","","1.016","","","","has coordinates","220765","2020-10-21","18:00:00",""
"4127505","15.2403","0.0005","15.2403","0.0005","6.7047","0.0003","90","","90","","120","","1348.64","0.09","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C12 H33 Cd2 Cl7 F3 N3 -","- C12 H33 Cd2 Cl7 F3 N3 -","- C24 H66 Cd4 Cl14 F6 N6 -","2","0.333333","","Wang, Zhong-Xia; Zhang, Yi; Tang, Yuan-Yuan; Li, Peng-Fei; Xiong, Ren-Gen","Fluoridation Achieved Antiperovskite Molecular Ferroelectric in [(CH<sub>3</sub>)<sub>2</sub>(F-CH<sub>2</sub>CH<sub>2</sub>)NH]<sub>3</sub>(CdCl<sub>3</sub>)(CdCl<sub>4</sub>).","Journal of the American Chemical Society","2019","141","10","4372","4378","10.1021/jacs.8b13109","","","0.71073","MoKα","","0.0373","0.0295","","","0.0754","0.0794","","","","","","1.068","","","","has coordinates","220767","2020-10-21","18:00:00",""
"4127797","28.5768","0.0002","28.5768","0.0002","9.68441","0.00009","90","","90","","120","","6849.06","0.09","100","","100","","","","","","","","","3","P 63","P 6c","173","","","","- C15 H30 O2 -","- C15 H30 O2 -","- C270 H540 O36 -","18","3","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.0491","0.0437","","","0.1147","0.123","","","","","","1.068","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4128534","12.1271","0.0006","12.1271","0.0006","4.8365","0.0002","90","","90","","120","","615.99","0.05","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- H8 Li9 N2 Na3 O28 S7 -","- H8 Li9 N2 Na3 O28 S7 -","- H8 Li9 N2 Na3 O28 S7 -","1","0.166667","","Li, Yanqiang; Liang, Fei; Zhao, Sangen; Li, Lina; Wu, Zhenyue; Ding, Qingran; Liu, Shuai; Lin, Zheshuai; Hong, Maochun; Luo, Junhua","Two Non-π-Conjugated Deep-UV Nonlinear Optical Sulfates.","Journal of the American Chemical Society","2019","141","9","3833","3837","10.1021/jacs.9b00138","","","0.71073","MoKα","","0.0373","0.0347","","","0.0858","0.0874","","","","","","1.109","","","","has coordinates","221616","2020-10-21","18:00:00",""
"4128887","17.9066","0.00004","17.9066","0.00004","13.218","0.00006","90","","90","","120","","3670.48","0.02","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C30 H102 Ba Cu6 N6 O56 S3 -","- C30 H18 Ba Cu6 N6 O42 S3 -","- C60 H36 Ba2 Cu12 N12 O84 S6 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Tiburcio, Estefania; Viciano-Chumillas, Marta; Kalinke, Lucas H. G.; Ferrando-Soria, Jesús; Armentano, Donatella; Pardo, Emilio","Multivariate Metal-Organic Frameworks for the Simultaneous Capture of Organic and Inorganic Contaminants from Water.","Journal of the American Chemical Society","2019","141","34","13601","13609","10.1021/jacs.9b06250","","","0.6889","Synchrotron","","0.0821","0.0601","","","0.177","0.1897","","","","","","0.944","","","","has coordinates,has disorder","221922","2020-10-21","18:00:00",""
"4128888","17.969","0.004","17.969","0.004","12.949","0.004","90","","90","","120","","3620.9","1.6","296","2","296","2","","","","","","","","9","P 63","P 6c","173","","","","- C42 H70 Ca Cl3 Cu6 Hg N7 O30 S4 -","- C41.9988 H21 Ca Cl1.9998 Cu6 Hg0.9999 N6.9999 O30 S3.9999 -","- C83.9976 H42 Ca2 Cl3.9996 Cu12 Hg1.9998 N13.9998 O60 S7.9998 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Tiburcio, Estefania; Viciano-Chumillas, Marta; Kalinke, Lucas H. G.; Ferrando-Soria, Jesús; Armentano, Donatella; Pardo, Emilio","Multivariate Metal-Organic Frameworks for the Simultaneous Capture of Organic and Inorganic Contaminants from Water.","Journal of the American Chemical Society","2019","141","34","13601","13609","10.1021/jacs.9b06250","","","0.71073","MoKα","","0.112","0.0826","","","0.2409","0.2735","","","","","","1.032","","","","has coordinates","221923","2020-10-21","18:00:00",""
"4128889","17.7932","0.0012","17.7932","0.0012","12.7581","0.0008","90","","90","","120","","3498","0.4","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C30 H100 Ca Cu6 N6 O55 S3 -","- C30 H33 Ca Cu6 N6 O37.5 S3 -","- C60 H66 Ca2 Cu12 N12 O75 S6 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Tiburcio, Estefania; Viciano-Chumillas, Marta; Kalinke, Lucas H. G.; Ferrando-Soria, Jesús; Armentano, Donatella; Pardo, Emilio","Multivariate Metal-Organic Frameworks for the Simultaneous Capture of Organic and Inorganic Contaminants from Water.","Journal of the American Chemical Society","2019","141","34","13601","13609","10.1021/jacs.9b06250","","","0.71073","MoKα","","0.0704","0.0601","","","0.1831","0.1923","","","","","","1.058","","","","has coordinates","221924","2020-10-21","18:00:00",""
"4130560","17.85","0.003","17.85","0.003","13.064","0.002","90","","90","","120","","3604.8","1","90","2","90","2","","","","","","","","9","P 63","P 6c","173","","","","- C36 H70 Au3 Ca Cl9 Cu6 N6 O30 S6 -","- C36 H48 Au3 Ca Cl3 Cu6 N6 O22 S6 -","- C72 H96 Au6 Ca2 Cl6 Cu12 N12 O44 S12 -","2","0.333333","","Mon, Marta; Ferrando-Soria, Jesús; Grancha, Thais; Fortea-Pérez, Francisco R; Gascon, Jorge; Leyva-Pérez, Antonio; Armentano, Donatella; Pardo, Emilio","Selective Gold Recovery and Catalysis in a Highly Flexible Methionine-Decorated Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","25","7864","7867","10.1021/jacs.6b04635","","","0.71073","MoKα","","0.192","0.1207","","","0.3191","0.3492","","","","","","1.005","","","","has coordinates","240969","2020-10-21","18:00:00",""
"4130561","17.7992","0.0016","17.7992","0.0016","12.7145","0.0016","90","","90","","120","","3488.4","0.6","90","2","90","2","","","","","","","","7","P 63","P 6c","173","","","","- C36 H84 Ca Cu6 N6 O37 S6 -","- C36 H48 Ca Cu6 N6 O37 S6 -","- C72 H96 Ca2 Cu12 N12 O74 S12 -","2","0.333333","","Mon, Marta; Ferrando-Soria, Jesús; Grancha, Thais; Fortea-Pérez, Francisco R; Gascon, Jorge; Leyva-Pérez, Antonio; Armentano, Donatella; Pardo, Emilio","Selective Gold Recovery and Catalysis in a Highly Flexible Methionine-Decorated Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","25","7864","7867","10.1021/jacs.6b04635","","","0.71073","MoKα","","0.1492","0.089","","","0.2421","0.2911","","","","","","1.03","","","","has coordinates","240970","2020-10-21","18:00:00",""
"4130562","17.7487","0.0012","17.7487","0.0012","12.695","0.0012","90","","90","","120","","3463.4","0.5","90","2","90","2","","","","","","","","9","P 63","P 6c","173","","","","- C39 H70 Au2 Ca Cl2 Cu6 N6 O27 S6 -","- C39 H48 Au1.9998 Ca Cl2.0001 Cu6 N6 O27 S6 -","- C78 H96 Au3.9996 Ca2 Cl4.0002 Cu12 N12 O54 S12 -","2","0.333333","","Mon, Marta; Ferrando-Soria, Jesús; Grancha, Thais; Fortea-Pérez, Francisco R; Gascon, Jorge; Leyva-Pérez, Antonio; Armentano, Donatella; Pardo, Emilio","Selective Gold Recovery and Catalysis in a Highly Flexible Methionine-Decorated Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","25","7864","7867","10.1021/jacs.6b04635","","","0.71073","MoKα","","0.1772","0.1162","","","0.3188","0.3687","","","","","","1.065","","","","has coordinates","240971","2020-10-21","18:00:00",""
"4131664","44.055","0.006","44.055","0.006","18.729","0.004","90","","90","","120","","31480","9","298","2","298","2","","","","","","","","5","P 63","P 6c","173","ST-1","ST-1","","- C40 H24 N8 O13 Zn4 -","- C40 H24 N8 O13 Zn4 -","- C240 H144 N48 O78 Zn24 -","6","1","","Liang, Cong-Cong; Shi, Zhao-Lin; He, Chun-Ting; Tan, Jing; Zhou, Hu-Die; Zhou, Hao-Long; Lee, Yongjin; Zhang, Yue-Biao","Engineering of Pore Geometry for Ultrahigh Capacity Methane Storage in Mesoporous Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","38","13300","13303","10.1021/jacs.7b08347","","","0.82653","synchrotron","","0.049","0.0462","","","0.1468","0.1552","","","","","","1.055","","","","has coordinates","241837","2020-10-21","18:00:00",""
"4132831","21.2743","0.0006","21.2743","0.0006","39.683","0.0013","90","","90","","120","","15554.1","0.8","123","","123","","","","","","","","","3","P 63","P 6c","173","","","","- C131 H48 S5.2 -","- C130.998 H48 S5.1664 -","- C785.99 H288 S30.9984 -","6","1","","Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro","Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.","Journal of the American Chemical Society","2018","140","31","10054","10059","10.1021/jacs.8b06842","","","0.71073","MoKα","","0.2331","0.1554","","","0.3771","0.4369","","","","","","1.596","","","","has coordinates,has disorder","242727","2020-10-21","18:00:00",""
"4132866","24.069","0.002","24.069","0.002","7.3724","0.0007","90","","90","","120","","3698.8","0.6","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C58.71 H75 F4.71 N9 O12 S3 -","- C58.71 H75 F4.71 N9 O12 S3 -","- C117.42 H150 F9.42 N18 O24 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.0552","0.0466","","","0.1108","0.1157","","","","","","1.072","","","","has coordinates","242753","2020-10-21","18:00:00",""
"4132867","24.1573","0.0019","24.1573","0.0019","7.3306","0.0006","90","","90","","120","","3704.8","0.5","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C60 H75 F6 N9 O12 S3 -","- C60 H75 F6 N9 O12 S3 -","- C120 H150 F12 N18 O24 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.0374","0.0334","","","0.0806","0.0843","","","","","","1.041","","","","has coordinates","242753","2020-10-21","18:00:00",""
"4132872","24.102","0.013","24.102","0.013","7.467","0.004","90","","90","","120","","3756","4","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C53.9 H69.35 F3.53 N9 O11.6 S3 -","- C53.922 H69.372 F3.54 N9 O11.598 S3 -","- C107.844 H138.744 F7.08 N18 O23.196 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1215","0.1013","","","0.2538","0.2711","","","","","","1.06","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132874","24.155","0.016","24.155","0.016","7.471","0.005","90","","90","","120","","3775","4","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C55.24 H71.95 F3.2 N9 O11.78 S3 -","- C55.254 H71.976 F3.198 N9 O11.784 S3 -","- C110.508 H143.952 F6.396 N18 O23.568 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1132","0.0877","","","0.2165","0.2346","","","","","","1.072","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132875","24.002","0.005","24.002","0.005","7.3978","0.0014","90","","90","","120","","3690.9","1.3","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C56.32 H73.09 F3.55 N9 O11.86 S3 -","- C56.31 H73.068 F3.552 N9 O11.862 S3 -","- C112.62 H146.136 F7.104 N18 O23.724 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.0792","0.0617","","","0.157","0.1678","","","","","","1.052","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132876","24.012","0.005","24.012","0.005","7.3899","0.0015","90","","90","","120","","3690","1.3","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C56.94 H73.66 F3.8 N9 O11.9 S3 -","- C56.94 H73.656 F3.804 N9 O11.904 S3 -","- C113.88 H147.312 F7.608 N18 O23.808 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.0755","0.055","","","0.1353","0.1459","","","","","","1.057","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132878","24.031","0.003","24.031","0.003","7.4029","0.0009","90","","90","","120","","3702.3","0.8","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C58.98 H75 F4.98 N9 O12 S3 -","- C58.974 H75 F4.974 N9 O12 S3 -","- C117.948 H150 F9.948 N18 O24 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.0389","0.035","","","0.0873","0.0896","","","","","","1.064","","","","has coordinates","242753","2020-10-21","18:00:00",""
"4133061","16.3036","0.0007","16.3036","0.0007","9.2767","0.0004","90","","90","","120","","2135.46","0.16","174","2","174","2","","","","","","","","4","P 63","P 6c","173","","","","- C30 H42 O13 Zn4 -","- C30 H42 O13 Zn4 -","- C60 H84 O26 Zn8 -","2","0.333333","","Zhao, Xiang; Yang, Huajun; Nguyen, Edward T.; Padilla, Joshua; Chen, Xitong; Feng, Pingyun; Bu, Xianhui","Enabling Homochirality and Hydrothermal Stability in Zn<sub>4</sub>O-Based Porous Crystals.","Journal of the American Chemical Society","2018","140","42","13566","13569","10.1021/jacs.8b08316","","","0.71073","MoKα","","0.0668","0.0382","","","0.0657","0.0724","","","","","","0.886","","","","has coordinates","242908","2020-10-21","18:00:00",""
"4300014","14.26","0.002","14.2602","","17.693","0.003","90","","90","","120","","3115.9","0.7","293.2","","293.2","","","","","","","","","8","P 63","P 6c","173","","","","- C54 H48 Br Cu3 F12 N9 O3 P2 -","- C54 H48 Br0.33 Cu3 F12 N9 O3 P0.66 -","- C108 H96 Br0.66 Cu6 F24 N18 O6 P1.32 -","2","0.333333","","Masahito Kodera; Yoshimitsu Tachi; Toshio Kita; Hiromu Kobushi; Yoshinori Sumi; Koji Kano; Motoo Shiro; Masayuki Koikawa; Tadashi Tokii; Masaaki Ohba; Hisashi Okawa","A Cu(II)-Mediated C-H Oxygenation of Sterically Hindered Tripyridine Ligands To Form Triangular Cu(II)3 Complexes","Inorganic Chemistry","2000","39","","226","234","10.1021/ic990331g","","","0.7107","MoKα","","","0.0693","","","0.0876","","","","","3.543","3.543","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4302785","25.793","0.005","25.793","0.005","22.672","0.009","90","","90","","120","","13062","6","100","2","100","2","","","","","","","","8","P 63","P 6c","173","[(dppe)Ni(u-SEt)2Fe(CN)2(CO)2]6","diphos nickel bis ethanethiolate iron dicyanide dicarbonyl","","- C36.42 H34 Fe N2 Ni O2 P2 S2 -","- C36.4167 H34 Fe N2 Ni O2 P2 S2 -","- C437 H408 Fe12 N24 Ni12 O24 P24 S24 -","12","2","","Jianfeng Jiang; Myriam Maruani; Jonathan Solaimanzadeh; Wenfeng Lo; Stephen A. Koch; Michelle Millar","Synthesis and Structure of Analogues for the Ni-Fe Site in Hydrogenase Enzymes","Inorganic Chemistry","2009","48","","6359","6361","10.1021/ic900929u","","x-ray","0.71073","MoKα","","0.1266","0.0661","","","0.1528","0.1747","","","","","","0.957","","","","has coordinates","179065","2020-10-21","18:00:00",""
"4302810","9.8071","0.0013","9.8071","0.0013","5.64","0.0011","90","","90","","120","","469.78","0.13","293","2","293","2","","","","","","","","4","P 63","P 6c","173","ZnY6Si2S14","ZnY6Si2S14","","- S14 Si2 Y6 Zn -","- S14 Si2 Y6 Zn -","- S14 Si2 Y6 Zn -","1","0.166667","","Sheng-Ping Guo; Guo-Cong Guo; Ming-Sheng Wang; Jian-Ping Zou; Gang Xu; Guo-Jian Wang; Xi-Fa Long; Jin-Shun Huang","A Series of New Infrared NLO Semiconductors, ZnY6Si2S14, AlxDy3(SiyAl1-y)S7, and Al0.33Sm3SiS7","Inorganic Chemistry","2009","48","","7059","7065","10.1021/ic802443n","","","0.71073","MoKα","","0.0209","0.0208","","","0.048","0.0481","","","","","","1.002","","","","has coordinates","179066","2020-10-21","18:00:00",""
"4302811","9.6361","0.0007","9.6361","0.0007","5.9439","0.0011","90","","90","","120","","477.97","0.1","293","2","293","2","","","","","","","","4","P 63","P 6c","173","Al0.50Dy3(Si0.50Al0.50)S7","Al0.50Dy3(Si0.50Al0.50)S7","","- Al Dy3 S7 Si0.5 -","- Al Dy3 S7 Si0.5 -","- Al2 Dy6 S14 Si -","2","0.333333","","Sheng-Ping Guo; Guo-Cong Guo; Ming-Sheng Wang; Jian-Ping Zou; Gang Xu; Guo-Jian Wang; Xi-Fa Long; Jin-Shun Huang","A Series of New Infrared NLO Semiconductors, ZnY6Si2S14, AlxDy3(SiyAl1-y)S7, and Al0.33Sm3SiS7","Inorganic Chemistry","2009","48","","7059","7065","10.1021/ic802443n","","","0.71073","MoKα","","0.0237","0.0226","","","0.0582","0.0592","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4302812","9.7755","0.0013","9.7755","0.0013","5.6821","0.0013","90","","90","","120","","470.24","0.14","293","2","293","2","","","","","","","","4","P 63","P 6c","173","Al0.38Dy3(Si0.85Al0.15)S7","Al0.38Dy3(Si0.85Al0.15)S7","","- Al0.53 Dy3 S7 Si0.85 -","- Al0.5362 Dy3 S7 Si0.8479 -","- Al1.0724 Dy6 S14 Si1.6958 -","2","0.333333","","Sheng-Ping Guo; Guo-Cong Guo; Ming-Sheng Wang; Jian-Ping Zou; Gang Xu; Guo-Jian Wang; Xi-Fa Long; Jin-Shun Huang","A Series of New Infrared NLO Semiconductors, ZnY6Si2S14, AlxDy3(SiyAl1-y)S7, and Al0.33Sm3SiS7","Inorganic Chemistry","2009","48","","7059","7065","10.1021/ic802443n","","","0.71073","MoKα","","0.0233","0.0226","","","0.0573","0.0581","","","","","","1.011","","","","has coordinates","179066","2020-10-21","18:00:00",""
"4302813","9.9791","0.001","9.9791","0.001","5.6793","0.0011","90","","90","","120","","489.79","0.12","293","2","293","2","","","","","","","","4","P 63","P 6c","173","Al0.33Sm3SiS7","Al0.33Sm3SiS7","","- Al0.33 S7 Si Sm3 -","- Al0.33 S7 Si Sm3 -","- Al0.66 S14 Si2 Sm6 -","2","0.333333","","Sheng-Ping Guo; Guo-Cong Guo; Ming-Sheng Wang; Jian-Ping Zou; Gang Xu; Guo-Jian Wang; Xi-Fa Long; Jin-Shun Huang","A Series of New Infrared NLO Semiconductors, ZnY6Si2S14, AlxDy3(SiyAl1-y)S7, and Al0.33Sm3SiS7","Inorganic Chemistry","2009","48","","7059","7065","10.1021/ic802443n","","","0.71073","MoKα","","0.0255","0.0218","","","0.0493","0.0508","","","","","","1.052","","","","has coordinates","179066","2020-10-21","18:00:00",""
"4303325","22.4648","0.0002","22.4648","0.0002","24.21","0.0002","90","","90","","120","","10581.1","0.16","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C178.5 H300 Cl6 Mn6 N12 O31.5 -","- C178.5 H283.5 Cl6 Mn6 N12 O31.5 -","- C357 H567 Cl12 Mn12 N24 O63 -","2","0.333333","","Chandan Mukherjee; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Trinuclear C3-Symmetric Extension of Jacobsen's Catalyst: Synthesis, Characterization, and Catalytic Properties of a Chiral Trinuclear MnIII Triplesalen Complex","Inorganic Chemistry","2009","48","","9476","9484","10.1021/ic901325y","","","0.71073","MoKα","","0.0561","0.0513","","","0.1376","0.1407","","","","","","1.104","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4303326","22.5033","0.0015","22.5033","0.0015","24.384","0.002","90","","90","","120","","10693.7","1.3","183","2","183","2","","","","","","","","6","P 63","P 6c","173","","","","- C166.5 H270 Cl6 Mn6 N12 O28.5 -","- C166.5 H253.5 Cl6 Mn6 N12 O28.5 -","- C333 H507 Cl12 Mn12 N24 O57 -","2","0.333333","","Chandan Mukherjee; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Trinuclear C3-Symmetric Extension of Jacobsen's Catalyst: Synthesis, Characterization, and Catalytic Properties of a Chiral Trinuclear MnIII Triplesalen Complex","Inorganic Chemistry","2009","48","","9476","9484","10.1021/ic901325y","","","0.71073","MoKα","","0.1048","0.0693","","","0.1818","0.2046","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304681","16.264","0.005","16.264","0.005","24.634","0.005","90","0.005","90","0.005","120","0.005","5643","3","208","2","293","2","","","","","","","","7","P 63","P 6c","173","","","","- C52 H63 Cl2 Mn3 N12 Ni O10 -","- C52 H63 Cl2.01 Mn3 N12 Ni O10 -","- C208 H252 Cl8.04 Mn12 N48 Ni4 O40 -","4","0.666667","","Patrick L. Feng; Christopher C. Beedle; Changhyun Koo; Wolfgang Wernsdorfer; Motohiro Nakano; Stephen Hill; David N. Hendrickson","Heterometallic Integer-Spin Analogues of S=9/2 Mn4 Cubane Single-Molecule Magnets","Inorganic Chemistry","2008","47","","3188","3204","10.1021/ic702241m","","","0.71069","MoKα","","0.0488","0.0383","","","0.0907","0.0964","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304900","9.055","0.0006","9.055","0.0006","14.4468","0.0019","90","","90","","120","","1025.84","0.17","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C6 H24 Ag2 I4 N6 Zn -","- C6 H24 Ag2 I4 N6 Zn -","- C12 H48 Ag4 I8 N12 Zn2 -","2","0.333333","","Yan-Si Jiang; Hua-Gang Yao; Shou-Hua Ji; Min Ji; Yong-Lin An","New Framework Iodoargentates: M(en)3Ag2I4 (M = Zn, Ni) with Tridymite Topology","Inorganic Chemistry","2008","47","","3922","3924","10.1021/ic7025158","","","0.71073","MoKα","","0.0466","0.0422","","","0.1027","0.1057","","","","","","1.088","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4304901","8.9969","0.0002","8.9969","0.0002","14.4374","0.0007","90","","90","","120","","1012.06","0.06","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C6 H24 Ag2 I4 N6 Ni -","- C6 H24 Ag2 I4 N6 Ni -","- C12 H48 Ag4 I8 N12 Ni2 -","2","0.333333","","Yan-Si Jiang; Hua-Gang Yao; Shou-Hua Ji; Min Ji; Yong-Lin An","New Framework Iodoargentates: M(en)3Ag2I4 (M = Zn, Ni) with Tridymite Topology","Inorganic Chemistry","2008","47","","3922","3924","10.1021/ic7025158","","","0.71073","MoKα","","0.0469","0.036","","","0.0776","0.0827","","","","","","1.098","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4304958","20.3","0.0019","20.3","","27.112","0.003","90","","90","","120","","9675.7","1.4","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- C126 H200 O106 Sn2 -","- C126 H147 O106 Sn2 -","- C252 H294 O212 Sn4 -","2","0.333333","","Shun-Li Li; Ya-Qian Lan; Jian-Fang Ma; Jin Yang; Min Zhang; Zhong-Min Su","Unprecedented Dinuclear Tin Derivative of Deprotonated β-Cyclodextrins","Inorganic Chemistry","2008","47","","2931","2933","10.1021/ic8000784","","","0.71069","MoKα","","0.0837","0.0524","","","0.134","0.1412","","","","","","1.005","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4306668","13.9575","0.0014","13.9575","0.0014","16.1626","0.0018","90","","90","","120","","2726.8","0.5","296","2","296","2","","","","","","","","9","P 63","P 6c","173","","","","- C21 H69 Cd3 Cl10 Co3 Cu N15 O13 S3 -","- C21 H63 Cd3 Cl10 Co3 Cu N15 O13 S3 -","- C42 H126 Cd6 Cl20 Co6 Cu2 N30 O26 S6 -","2","0.333333","","Takashi Aridomi; Asako Igashira-Kamiyama; Takumi Konno","Control of 1D Wave versus 2D Honeycomb CoIIICdIICuI Heterotrimetallic Architectures by ΔL-ΛL Diastereoisomerism of l-Cysteinatocobalt(III) Building Units","Inorganic Chemistry","2008","47","","10202","10204","10.1021/ic801495h","","","0.71069","MoKα","","0.0972","0.0359","","","0.0791","0.0939","","","","","","1.014","","","","has coordinates","179104","2020-10-21","18:00:00",""
"4306669","13.966","0.004","13.966","0.004","16.093","0.003","90","","90","","120","","2718.4","1.2","200","2","200","2","","","","","","","","9","P 63","P 6c","173","","","","- C21 H69 Cd3 Cl10 Co3 Cu N15 O9 S3 -","- C21 H63 Cd3 Cl10.01 Co3 Cu N15 O9 S3 -","- C42 H126 Cd6 Cl20.02 Co6 Cu2 N30 O18 S6 -","2","0.333333","","Takashi Aridomi; Asako Igashira-Kamiyama; Takumi Konno","Control of 1D Wave versus 2D Honeycomb CoIIICdIICuI Heterotrimetallic Architectures by ΔL-ΛL Diastereoisomerism of l-Cysteinatocobalt(III) Building Units","Inorganic Chemistry","2008","47","","10202","10204","10.1021/ic801495h","","","0.71075","MoKα","","0.0351","0.03","","","0.07","0.0721","","","","","","1.047","","","","has coordinates,has disorder","179104","2020-10-21","18:00:00",""
"4306670","14.0101","0.0016","14.0101","0.0016","16.164","0.002","90","","90","","120","","2747.7","0.6","296","2","296","2","","","","","","","","10","P 63","P 6c","173","","","","- C21 H69 Cd3 Cl9 Co3 Cu N15 O13 Re S3 -","- C21 H63 Cd3 Cl9 Co3 Cu N15 O13 Re S3 -","- C42 H126 Cd6 Cl18 Co6 Cu2 N30 O26 Re2 S6 -","2","0.333333","","Takashi Aridomi; Asako Igashira-Kamiyama; Takumi Konno","Control of 1D Wave versus 2D Honeycomb CoIIICdIICuI Heterotrimetallic Architectures by ΔL-ΛL Diastereoisomerism of l-Cysteinatocobalt(III) Building Units","Inorganic Chemistry","2008","47","","10202","10204","10.1021/ic801495h","","","0.71069","MoKα","","0.1462","0.0592","","","0.1523","0.1865","","","","","","1.021","","","","has coordinates,has disorder","179104","2020-10-21","18:00:00",""
"4307190","11.784","0.004","11.784","0.004","8.527","0.004","90","","90","","120","","1025.4","0.7","298","2","298","2","","","","","","","","5","P 63","P 6c","173","","","","- C12 H18 Cu4 I N9 -","- C12 H18 Cu4 I N9 -","- C24 H36 Cu8 I2 N18 -","2","0.333333","","Xi-He Huang; Tian-Lu Sheng; Sheng-Chang Xiang; Rui-Biao Fu; Sheng-Min Hu; Ya-Min Li; Xin-Tao Wu","{[Cu(mtz)]3(CuI)}n: An Unprecedented Non-interpenetrated (123)(122.14)3 Network with Triple-Stranded Helices","Inorganic Chemistry","2007","46","","497","500","10.1021/ic0617341","","","0.71073","MoKα","","0.0218","0.0215","","","0.0546","0.0548","","","","","","1.05","","","","has coordinates","179109","2020-10-21","18:00:00",""
"4311086","12.251","0.003","12.251","0.003","11.514","0.004","90","","90","","120","","1496.6","0.7","190","2","190","2","","","","","","","","4","P 63","P 6c","173","","tris(1'-methyl(1,2-dicarba-closo- dodecaboran-1-yl))phosphine","","- C9 H39 B30 P -","- C9 H39 B30 P -","- C18 H78 B60 P2 -","2","0.333333","","Arienne S. King; George Ferguson; James F. Britten; John F. Valliant","Sterically Hindered and Robust Pnictogen Ligands Derived from Carboranes: Synthesis and X-ray Structure Determination of Tris(1'-methyl(1,2-dicarba-closo-dodecaboran-1-yl))phosphine, Tris(1'-methyl(1,2-dicarba-closo-dodecaboran-1-yl))arsine and Chloro(Tris(1'-methyl(1,2-dicarba-closo-dodecaboran-1-yl))phosphine)gold(I)","Inorganic Chemistry","2004","43","","3507","3513","10.1021/ic049947i","","","0.71073","MoKα","","0.0846","0.0568","","","0.1216","0.1318","","","","","","1.09","","","","has coordinates,has disorder","179149","2020-10-21","18:00:00",""
"4311087","12.33","0.003","12.33","0.003","11.474","0.004","90","","90","","120","","1510.7","0.7","190","2","190","2","","","","","","","","4","P 63","P 6c","173","","tris(1'-methyl(1,2-dicarba-closo- dodecaboran-1-yl))arsine","","- C9 H39 As B30 -","- C9.006 H39 As1.002 B30 -","- C18.012 H78 As2.004 B60 -","2","0.333333","","Arienne S. King; George Ferguson; James F. Britten; John F. Valliant","Sterically Hindered and Robust Pnictogen Ligands Derived from Carboranes: Synthesis and X-ray Structure Determination of Tris(1'-methyl(1,2-dicarba-closo-dodecaboran-1-yl))phosphine, Tris(1'-methyl(1,2-dicarba-closo-dodecaboran-1-yl))arsine and Chloro(Tris(1'-methyl(1,2-dicarba-closo-dodecaboran-1-yl))phosphine)gold(I)","Inorganic Chemistry","2004","43","","3507","3513","10.1021/ic049947i","","","0.71073","MoKα","","0.0977","0.093","","","0.245","0.2481","","","","","","1.122","","","","has coordinates,has disorder","179149","2020-10-21","18:00:00",""
"4312714","12.7484","0.0018","12.7484","0.0018","17.362","0.004","90","","90","","120","","2443.7","0.7","293","2","293","2","","","","","","","","7","P 63","P 6c","173","[Tl(m-F)3Ru(PPh3)3]","","","- C55 H46 Cl3 F3 P3 Ru Tl -","- C55 H46 Cl3 F3 P3 Ru Tl -","- C110 H92 Cl6 F6 P6 Ru2 Tl2 -","2","0.333333","","Claus Becker; Iris Kieltsch; Diego Broggini; Antonio Mezzetti","Bridging Fluorides and Hard/Soft Mismatch in d6 and d8 Complexes: The Case of [Tl(μ-F)3Ru(PPh3)3]","Inorganic Chemistry","2003","42","","8417","8429","10.1021/ic034888e","","","0.71073","MoKα","","0.0722","0.0536","","","0.1318","0.142","","","","","","0.988","","","","has coordinates","179166","2020-10-21","18:00:00",""
"4313386","11.528","0.002","11.528","0.002","15.168","0.007","90","","90","","120","","1745.7","0.9","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C9 H24 N O10 P Zn -","- C9 H24 N1.005 O9.99 P Zn -","- C36 H96 N4.02 O39.96 P4 Zn4 -","4","0.666667","","Artur Krężel; Rafał Latajka; Grzegorz D. Bujacz; Wojciech Bal","Coordination Properties of Tris(2-carboxyethyl)phosphine, a Newly Introduced Thiol Reductant, and Its Oxide","Inorganic Chemistry","2003","42","","1994","2003","10.1021/ic025969y","","","1.54178","CuKα","","0.029","0.0287","","0.0816","0.0814","","","","1.12","1.122","1.122","","","","","has coordinates,has disorder","179191","2020-10-21","18:00:00",""
"4313387","11.63","0.002","11.63","0.002","15.731","0.009","90","","90","","120","","1842.7","1.1","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C9 H29 Cd N O12.5 P -","- C9 H29.01 Cd N1.005 O12.495 P -","- C36 H116.04 Cd4 N4.02 O49.98 P4 -","4","0.666667","","Artur Krężel; Rafał Latajka; Grzegorz D. Bujacz; Wojciech Bal","Coordination Properties of Tris(2-carboxyethyl)phosphine, a Newly Introduced Thiol Reductant, and Its Oxide","Inorganic Chemistry","2003","42","","1994","2003","10.1021/ic025969y","","","1.54178","CuKα","","0.069","0.0688","","0.1979","0.1977","","","","1.12","1.124","1.124","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4315927","18.0804","0.0009","18.0804","0.0009","16.0241","0.0011","90","","90","","120","","4536.5","0.4","566","2","566","2","","","","","","","","6","P 63","P 6c","173","","","","- C69 H42 N6 O33 Pt15 Ru -","- C69 H42 N6 O33 Pt15 Ru -","- C138 H84 N12 O66 Pt30 Ru2 -","2","0.333333","","Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Tatiana Lovato; Stefano Stagni; Stefano Zacchini","Self-Assembly of [Pt3n(CO)6n]2- (n= 4-8) Carbonyl Clusters: from Molecules to Conducting Molecular Metal Wires","Inorganic Chemistry","2010","49","","5992","6004","10.1021/ic100547j","","","0.71073","MoKα","","0.1233","0.0508","","","0.0795","0.0994","","","","","","1.002","","","","has coordinates","179239","2020-10-21","18:00:00",""
"4317902","15.63","0.004","15.63","0.004","16.849","0.007","90","","90","","120","","3565","2","193","2","193","2","","","","","","","","6","P 63","P 6c","173","","","","- C73 H62 Cl2 P4 Ru4 S6 -","- C72.99 H61.98 Cl1.98 P4 Ru4 S6 -","- C145.98 H123.96 Cl3.96 P8 Ru8 S12 -","2","0.333333","","Amanda L. Eckermann; Markus Wunder; Dieter Fenske; Thomas B. Rauchfuss; Scott R. Wilson","New Class of Ruthenium Sulfide Clusters: Ru4S6(PPh3)4, Ru5S6(PPh3)5, and Ru6S8(PPh3)6","Inorganic Chemistry","2002","41","","2004","2006","10.1021/ic0255104","","","0.71073","MoKα","","0.0304","0.0244","","","0.0543","0.0567","","","","","","1.041","","","","has coordinates","179259","2020-10-21","18:00:00",""
"4319080","12.0673","0.0006","12.0673","0.0006","9.702","0.0004","90","","90","","120","","1223.52","0.1","173","2","173","2","","","","","","","","5","P 63","P 6c","173","","","","- C9 H27 O18 S3 Zn1.5 -","- C9 H27 O18 S3 Zn1.5 -","- C18 H54 O36 S6 Zn3 -","2","0.333333","","Sean A. Dalrymple; Masood Parvez; George K. H. Shimizu","Intra- and Intermolecular Second-Sphere Coordination Chemistry: Formation of Capsules, Half-Capsules, and Extended Structures with Hexaaquo- and Hexaamminemetal Ions","Inorganic Chemistry","2002","41","","6986","6996","10.1021/ic025627s","","","0.71069","MoKα","","0.0621","0.0601","","","0.1487","0.1503","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319081","12.0851","0.0017","12.0851","0.0017","9.6616","0.0019","90","","90","","120","","1222","0.3","173","2","173","2","","","","","","","","5","P 63","P 6c","173","","","","- C9 H27 Mg1.5 O18 S3 -","- C9 H27 Mg1.5 O18 S3 -","- C18 H54 Mg3 O36 S6 -","2","0.333333","","Sean A. Dalrymple; Masood Parvez; George K. H. Shimizu","Intra- and Intermolecular Second-Sphere Coordination Chemistry: Formation of Capsules, Half-Capsules, and Extended Structures with Hexaaquo- and Hexaamminemetal Ions","Inorganic Chemistry","2002","41","","6986","6996","10.1021/ic025627s","","","0.7107","MoKα","","0.0581","0.0519","","","0.1359","0.1406","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319244","26.744","0.002","26.744","0.002","12.1309","0.0015","90","","90","","120","","7514.1","1.2","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- Cs0.33 K4.67 Mn O52 Si W11 -","- Cs0.333333 K4.67 Mn O52 Si W11 -","- Cs2 K28.02 Mn6 O312 Si6 W66 -","6","1","","Ulrich Kortz; Salim Matta","Novel, Trimeric Mn-Substituted Undecatungstosilicate, [(β~2~-SiW~11~MnO~38~OH)~3~]^15-^","Inorganic Chemistry","2001","40","","815","817","10.1021/ic000950l","","","0.71073","MoKα","","0.076","0.0501","","","0.1263","0.1465","","","","","","1.074","","","","has coordinates","179272","2020-10-21","18:00:00",""
"4321812","8.714","0.003","8.714","0.003","8.083","0.004","90","","90","","120","","531.5","0.4","297","","297","","","","","","","","systhesis","4","P 63","P 6c","173","","hydrogen cyanide/copper(I) cyanide/diazobicyclooctane complex","","- C9 H13 Cu2 N5 -","- C9 H6 Cu2 N5 -","- C18 H12 Cu4 N10 -","2","0.333333","","Fred B. Stocker; Teodora P. Staeva; Chad M. Rienstra; Doyle Britton","Crystal Structures of a Series of Complexes Produced by Reaction of Copper(I) Cyanide with Diamines","Inorganic Chemistry","1999","38","","984","991","10.1021/ic970226b","","","0.71073","MoKalpha","","","0.03","","","0.038","","","","","1.76","1.76","","","","","has coordinates","179321","2020-10-21","18:00:00",""
"4323016","7.332","0.002","7.332","0.002","12.028","0.004","90","","90","","120","","560","0.3","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- H8 Mo3 N2 O12 Te -","- Mo3 N2 O12 Te -","- Mo6 N4 O24 Te2 -","2","0.333333","","Vidyavathy; K. Vidyasagar","Low-Temperature Syntheses and Characterization of Novel Layered Tellurites, A2Mo3TeO12 (A = NH4, Cs), and ""Zero-Dimensional"" Tellurites, A4Mo6Te2O24.6H2O (A = Rb, K)","Inorganic Chemistry","1998","37","","4764","4774","10.1021/ic980102e","","","0.71073","MoKα","","0.0295","0.0273","","0.0645","0.0637","","","","1.284","1.288","1.288","","","","","has coordinates","179333","2020-10-21","18:00:00",""
"4323017","7.3956","0.001","7.3956","0.001","12.186","0.002","90","","90","","120","","577.22","0.15","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Cs2 Mo3 O12 Te -","- Cs2 Mo3 O12 Te -","- Cs4 Mo6 O24 Te2 -","2","0.333333","","Vidyavathy; K. Vidyasagar","Low-Temperature Syntheses and Characterization of Novel Layered Tellurites, A2Mo3TeO12 (A = NH4, Cs), and ""Zero-Dimensional"" Tellurites, A4Mo6Te2O24.6H2O (A = Rb, K)","Inorganic Chemistry","1998","37","","4764","4774","10.1021/ic980102e","","","0.71073","MoKα","","0.0286","0.0285","","0.0675","0.0674","","","","1.34","1.34","1.34","","","","","has coordinates","179333","2020-10-21","18:00:00",""
"4326510","25.6612","0.0005","25.6612","0.0005","21.6189","0.0009","90","","90","","120","","12328.7","0.6","150","2","150","2","","","","","","","","5","P 63","P 6c","173","","","","- C87.33 H96.67 Cu2 N4 O21.33 -","- C87.32 H94 Cu2 N4 O21.33 -","- C523.92 H564 Cu12 N24 O127.98 -","6","1","","Daniel L. Reger; Jacob J. Horger; Agota Debreczeni; Mark D. Smith","Syntheses and Characterization of Copper(II) Carboxylate Dimers Formed from Enantiopure Ligands Containing a Strong π...π Stacking Synthon: Enantioselective Single-Crystal to Single-Crystal Gas/Solid-Mediated Transformations","Inorganic Chemistry","2011","50","","10225","10240","10.1021/ic201238n","","","0.71073","MoKα","","0.0669","0.0535","","","0.1391","0.1495","","","","","","1.051","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4327820","10.6975","0.0016","10.6975","0.0016","6.7222","0.0012","90","","90","","120","","666.2","0.18","296","2","296","2","","","","","","","","5","P 63","P 6c","173","","","","- B4 Bi O15 Sr3 Y3 -","- B4 Bi0.908 O15 Sr3 Y3.092 -","- B8 Bi1.816 O30 Sr6 Y6.184 -","2","0.333333","","Jianhua Gao; Shuai Li","BiSr3(YO)3(BO3)4: A New Gaudefroyite-Type Rare-Earth Borate with Moderate SHG Response","Inorganic Chemistry","2012","51","","420","424","10.1021/ic201858x","","","0.71073","MoKα","","0.0368","0.0334","","","0.0699","0.0711","","","","","","1.062","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4328015","10.2905","0.0006","10.2905","0.0006","8.5418","0.0006","90","","90","","120","","783.34","0.08","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","1-Bromido-(2,8,9-trioxa-5-aza-3,3,7,7,10,10-hexamethyl- stannatricyclo[3.3.3.01.5]undecane","","- C12 H24 Br N O3 Sn -","- C12 H24 Br N O3 Sn -","- C24 H48 Br2 N2 O6 Sn2 -","2","0.333333","","Thomas Zöller; Christina Dietz; Ljuba Iovkova-Berends; Olga Karsten; Gerrit Bradtmöller; Ann-Kristin Wiegand; Yu Wang; Viatcheslav Jouikov; Klaus Jurkschat","Novel Stannatranes of the Type N(CH2CMe2O)3SnX (X = OR, SR, OC(O)R, SP(S)Ph2, Halogen). Synthesis, Molecular Structures, and Electrochemical Properties","Inorganic Chemistry","2012","51","","1041","1056","10.1021/ic202179e","","","0.71073","MoKα","","0.0398","0.024","","","0.0378","0.0386","","","","","","0.822","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4330115","24.936","0.004","24.936","0.004","40.088","0.008","90","","90","","120","","21587","7","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C84 H120 Cl6 Cu3 N12 O3 S3 -","- C69 H96 Cu3 N6 O3 S3 -","- C552 H768 Cu24 N48 O24 S24 -","8","1.33333","","Bastian Feldscher; Hubert Theil; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Bioinspired Enhancement of Superexchange: From 1,3,5-Trihydroxybenzene-Bridged to 1,3,5-Trimercaptobenzene-Bridged Trinuclear Copper(II) Complexes","Inorganic Chemistry","2012","51","","8652","8654","10.1021/ic301312v","","","1.54178","CuKα","","0.0377","0.036","","","0.0942","0.0951","","","","","","1.034","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4333668","12.8725","0.0002","12.8725","0.0002","13.6811","0.0004","90","","90","","120","","1963.26","0.07","120","2","120","2","","","","","","","","7","P 63","P 6c","173","","","","- C32 H36 B3 Cr F12 N8 O6 -","- C32 H35.97 B3 Cr F12 N8 O6 -","- C64 H71.94 B6 Cr2 F24 N16 O12 -","2","0.333333","","Ashley M. McDaniel; Huan-Wei Tseng; Ethan A. Hill; Niels H. Damrauer; Anthony K. Rappé; Matthew P. Shores","Syntheses and Photophysical Investigations of Cr(III) Hexadentate Iminopyridine Complexes and Their Tris(Bidentate) Analogues","Inorganic Chemistry","2013","52","","1368","1378","10.1021/ic302055r","","","0.71073","MoKα","","0.0341","0.0294","","","0.0783","0.0882","","","","","","1.14","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4334343","12.411","0.001","12.411","0.001","12.345","0.001","90","","90","","120","","1646.8","0.2","293","","293","","","","","","","","synthesis as described","2","P 63","P 6c","173","","","","- Mg9 Si5 -","- Mg9 Si5.00167 -","- Mg54 Si30.01 -","6","1","","Shidong Ji; Motoharu Imai; Haikui Zhu; Shoji Yamanaka","Structural Characterization of Magnesium-Based Compounds Mg9Si5 and Mg4Si3Al (Superconductor) Synthesized under High Pressure and High Temperature Conditions","Inorganic Chemistry","2013","52","","3953","3961","10.1021/ic3027539","","x-ray","0.71069","MoKα","","0.0198","0.0149","","","0.0345","0.0364","","","","","","1.134","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4339047","18.2475","0.0009","18.2475","0.0009","6.8687","0.0003","90","","90","","120","","1980.67","0.16","180","2","180","2","","","","","","","","4","P 63","P 6c","173","","","","- P7 Rb3 S25 Ti3 -","- P7 Rb3.0002 S25 Ti3 -","- P14 Rb6.0004 S50 Ti6 -","2","0.333333","","Wu, Yuandong; Bensch, Wolfgang","Rb(3)Ti(3)(P(4)S(13))(PS(4))(3) and Cs(2)Ti(2)(P(2)S(8))(PS(4))(2): two polar titanium thiophosphates with complex one-dimensional tunnels.","Inorganic chemistry","2007","46","15","6170","6177","10.1021/ic700478r","","","0.71073","MoKα","","0.039","0.0318","","","0.0723","0.0754","","","","","","1.022","","","","has coordinates","179493","2020-10-21","18:00:00",""
"4339455","12.5464","0.0018","12.5464","0.0018","6.9282","0.0014","90","","90","","120","","944.5","0.3","298","2","298","2","","","","","","","","4","P 63","P 6c","173","","","","- C3 H3 In O6 -","- C3 H3 In O6 -","- C18 H18 In6 O36 -","6","1","","Su, Jie; Wang, Yingxia; Yang, Sihai; Li, Guobao; Liao, Fuhui; Lin, Jianhua","New series of indium formates: hydrothermal synthesis, structure and coordination modes.","Inorganic chemistry","2007","46","20","8403","8409","10.1021/ic7007599","","","0.71073","MoKα","","0.016","0.0158","","","0.0368","0.0369","","","","","","1","","","","has coordinates","179497","2020-10-21","18:00:00",""
"4340312","14.3773","0.0003","14.3773","0.0003","7.2074","0.0002","90","","90","","120","","1290.22","0.05","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C30 H24 B3 N6 P -","- C30 H24 B3 N6 P -","- C60 H48 B6 N12 P2 -","2","0.333333","","Bailey, Jonathan A.; Ploeger, Marten; Pringle, Paul G.","Mono-, di-, and triborylphosphine analogues of triarylphosphines.","Inorganic chemistry","2014","53","14","7763","7769","10.1021/ic501133n","","","0.71073","MoKα","","0.0276","0.027","","","0.0782","0.0792","","","","","","1.058","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340871","9.5812","0.0003","9.5812","0.0003","7.0655","0.0005","90","","90","","120","","561.71","0.05","100","","100","","","","","","","","","4","P 63","P 6c","173","","","","- Nd8.09 O26 Si6 Sr1.91 -","- Nd8.08 O26 Si6 Sr1.92 -","- Nd8.08 O26 Si6 Sr1.92 -","1","0.166667","","An, Tao; Orera, Alodia; Baikie, Tom; Herrin, Jason S.; Piltz, Ross O.; Slater, Peter R.; White, Tim J.; Sanjuán, María L","Structural Study of the Apatite Nd8Sr2Si6O26 by Laue Neutron Diffraction and Single-Crystal Raman Spectroscopy.","Inorganic chemistry","2014","53","17","9416","9423","10.1021/ic501558r","","neutron","0.71069","neutron","","0.0658","0.0301","","","0.0306","0.0331","","","","1.35","1.35","1.24","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4342505","14.0106","0.0008","14.0106","0.0008","40.347","0.002","90","","90","","120","","6858.9","0.6","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C124 H138 F12 Fe3 N14 O25 S4 -","- C123.98 H137.96 F12 Fe3 N13.99 O25 S4 -","- C247.96 H275.92 F24 Fe6 N27.98 O50 S8 -","2","0.333333","","Guillet, Gary L.; Gordon, Jesse B.; Di Francesco, Gianna N.; Calkins, Matthew W.; Čižmár, Erik; Abboud, Khalil A.; Meisel, Mark W.; García-Serres, Ricardo; Murray, Leslie J.","A family of tri- and dimetallic pyridine dicarboxamide cryptates: unusual o,n,o-coordination and facile access to secondary coordination sphere hydrogen bonding interactions.","Inorganic chemistry","2015","54","6","2691","2704","10.1021/ic502873d","","","0.71073","MoKα","","0.0561","0.0471","","","0.1165","0.1202","","","","","","1.015","","","","has coordinates,has disorder","179528","2020-10-21","18:00:00",""
"4347259","13.5263","0.0009","13.5263","0.0009","8.0567","0.0005","90","","90","","120","","1276.57","0.14","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0193","0.019","","","0.0564","0.0566","","","","","","1.156","","","","has coordinates","232238","2020-10-21","18:00:00",""
"4347260","13.5068","0.0008","13.5068","0.0008","8.0676","0.0005","90","","90","","120","","1274.62","0.13","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.018","0.0179","","","0.0518","0.0519","","","","","","1.124","","","","has coordinates","232238","2020-10-21","18:00:00",""
"4347261","13.5114","0.0014","13.5114","0.0014","8.0589","0.0008","90","","90","","120","","1274.1","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0186","0.0184","","","0.0535","0.0536","","","","","","1.156","","","","has coordinates","232238","2020-10-21","18:00:00",""
"4347262","13.5324","0.0005","13.5324","0.0005","8.0668","0.0003","90","","90","","120","","1279.33","0.08","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0253","0.0225","","","0.0534","0.0545","","","","","","1.105","","","","has coordinates","232238","2020-10-21","18:00:00",""
"4347263","13.5293","0.0012","13.5293","0.0012","8.0707","0.0008","90","","90","","120","","1279.4","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0283","0.0248","","","0.0604","0.0625","","","","","","1.13","","","","has coordinates","232238","2020-10-21","18:00:00",""
"4347264","13.5274","0.0012","13.5274","0.0012","8.0726","0.0008","90","","90","","120","","1279.3","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0258","0.0238","","","0.0613","0.0621","","","","","","1.101","","","","has coordinates","232238","2020-10-21","18:00:00",""
"4347265","13.5329","0.0016","13.5329","0.0016","8.0816","0.001","90","","90","","120","","1281.8","0.3","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0255","0.0247","","","0.0652","0.0654","","","","","","1.161","","","","has coordinates","232238","2020-10-21","18:00:00",""
"4347266","13.5214","0.0011","13.5214","0.0011","8.0686","0.0006","90","","90","","120","","1277.53","0.18","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0329","0.0266","","","0.0552","0.0569","","","","","","1.087","","","","has coordinates","232238","2020-10-21","18:00:00",""
"4347267","13.6013","0.0005","13.6013","0.0005","8.1404","0.0003","90","","90","","120","","1304.18","0.08","103","2","103","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H9 Cr0.33 Mn N4 O3 -","- C5 H7 Cr0.333333 Mn N4 O3 -","- C30 H42 Cr2 Mn6 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0439","0.0351","","","0.085","0.1075","","","","","","1.149","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347268","13.6093","0.0005","13.6093","0.0005","8.1609","0.0003","90","","90","","120","","1309","0.08","203","2","203","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H9 Cr0.33 Mn N4 O3 -","- C5 H7 Cr0.333333 Mn N4 O3 -","- C30 H42 Cr2 Mn6 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0456","0.0356","","","0.0904","0.1127","","","","","","1.178","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347269","13.6144","0.0005","13.6144","0.0005","8.1842","0.0003","90","","90","","120","","1313.72","0.08","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H9 Cr0.33 Mn N4 O3 -","- C5 H7 Cr0.333333 Mn N4 O3 -","- C30 H42 Cr2 Mn6 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0465","0.0351","","","0.0898","0.11","","","","","","1.177","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347270","13.5739","0.0005","13.5739","0.0005","8.1156","0.0003","90","","90","","120","","1294.97","0.08","403","2","403","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H8 Cr0.33 Mn N4 O2.5 -","- C5 H7 Cr0.333333 Mn N4 O2.48 -","- C30 H42 Cr2 Mn6 N24 O14.88 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.075","0.0542","","","0.1404","0.1667","","","","","","1.058","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347271","13.5576","0.0005","13.5576","0.0005","8.0994","0.0003","90","","90","","120","","1289.29","0.08","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H8 Cr0.33 Mn N4 O2.5 -","- C5 H7 Cr0.333333 Mn N4 O2.46667 -","- C30 H42 Cr2 Mn6 N24 O14.8 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0715","0.0541","","","0.1424","0.1674","","","","","","1.119","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347272","13.5392","0.0005","13.5392","0.0005","8.0692","0.0003","90","","90","","120","","1280.99","0.08","103","2","103","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H8 Cr0.33 Mn N4 O2.5 -","- C5 H7 Cr0.333333 Mn N4 O2.46667 -","- C30 H42 Cr2 Mn6 N24 O14.8 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0652","0.0536","","","0.1416","0.1662","","","","","","1.12","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347273","13.5554","0.0005","13.5554","0.0005","8.1351","0.0003","90","","90","","120","","1294.55","0.08","423","2","423","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H8 Cr0.33 Mn N4 O2.5 -","- C5 H7 Cr0.333333 Mn N4 O2.47 -","- C30 H42 Cr2 Mn6 N24 O14.82 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0847","0.0617","","","0.161","0.1884","","","","","","1.072","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347274","13.5416","0.0005","13.5416","0.0005","8.114","0.0003","90","","90","","120","","1288.56","0.08","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H8 Cr0.33 Mn N4 O2.5 -","- C5 H7 Cr0.333333 Mn N4 O2.46667 -","- C30 H42 Cr2 Mn6 N24 O14.8 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0771","0.0591","","","0.1565","0.1836","","","","","","1.084","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347275","13.6206","0.0005","13.6206","0.0005","8.1751","0.0003","90","","90","","120","","1313.46","0.08","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H9 Cr0.33 Mn N4 O3 -","- C5 H7 Cr0.333333 Mn N4 O3 -","- C30 H42 Cr2 Mn6 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0484","0.0375","","","0.0853","0.0925","","","","","","1.135","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347276","13.4917","0.0009","13.4917","0.0009","8.0644","0.0005","90","","90","","120","","1271.26","0.14","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0209","0.0204","","","0.0527","0.0529","","","","","","1.105","","","","has coordinates","232240","2020-10-21","18:00:00",""
"4347277","13.475","0.0009","13.475","0.0009","8.0291","0.0005","90","","90","","120","","1262.57","0.14","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H8 Mn1.33 N4 O2.5 -","- C5 H7 Mn1.33333 N4 O2.67 -","- C30 H42 Mn8 N24 O16.02 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0187","0.0183","","","0.0462","0.0464","","","","","","1.122","","","","has coordinates","232240","2020-10-21","18:00:00",""
"4347278","13.5105","0.0009","13.5105","0.0009","8.0463","0.0005","90","","90","","120","","1271.95","0.14","293","2","296","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.031","0.0263","","","0.0577","0.0599","","","","","","1.137","","","","has coordinates","232240","2020-10-21","18:00:00",""
"4347279","13.516","0.0012","13.516","0.0012","8.0533","0.0008","90","","90","","120","","1274.1","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0336","0.0268","","","0.0533","0.0552","","","","","","1.105","","","","has coordinates","232240","2020-10-21","18:00:00",""
"4347280","13.4873","0.0012","13.4873","0.0012","8.0256","0.0008","90","","90","","120","","1264.3","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H8 Mn1.33 N4 O2.5 -","- C5 H7 Mn1.33333 N4 O2.81667 -","- C30 H42 Mn8 N24 O16.9 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0325","0.0257","","","0.0525","0.0544","","","","","","1.062","","","","has coordinates","232240","2020-10-21","18:00:00",""
"4347281","13.4846","0.0012","13.4846","0.0012","8.032","0.0008","90","","90","","120","","1264.8","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0429","0.0302","","","0.0562","0.06","","","","","","1.099","","","","has coordinates","232240","2020-10-21","18:00:00",""
"4347499","10.078","0.0014","10.078","0.0014","16.09","0.003","90","","90","","120","","1415.3","0.4","200","2","200","2","","","","","","","","8","P 63","P 6c","173","","","","- C18 H27 B2 F8 Fe N12 P S -","- C18 H27 B1.9998 F7.9992 Fe N12 P S -","- C36 H54 B3.9996 F15.9984 Fe2 N24 P2 S2 -","2","0.333333","","Stock, Philipp; Deck, Eva; Hohnstein, Silvia; Korzekwa, Jana; Meyer, Karsten; Heinemann, Frank W.; Breher, Frank; Hörner, Gerald","Molecular Spin Crossover in Slow Motion: Light-Induced Spin-State Transitions in Trigonal Prismatic Iron(II) Complexes.","Inorganic chemistry","2016","55","11","5254","5265","10.1021/acs.inorgchem.6b00238","","","0.71073","MoKα","","0.0435","0.0429","","","0.1181","0.1194","","","","","","1.058","","","","has coordinates,has disorder","232342","2020-10-21","18:00:00",""
"4348021","20.4751","0.0003","20.4751","0.0003","10.4075","0.0002","90","","90","","120","","3778.58","0.11","295.4","0.1","295.4","0.1","","","","","","","","6","P 63","P 6c","173","","","","- C1.1 H0.7 K0.03 Mn0.1 Na0.03 O0.73 -","- C1.1 H0.7 K0.0333333 Mn0.1 Na0.0333333 O0.733333 -","- C66 H42 K2 Mn6 Na2 O44 -","60","10","","Xu, Zhong-Xuan; Liu, Liyang; Zhang, Jian","Synthesis of Metal-Organic Zeolites with Homochirality and High Porosity for Enantioselective Separation.","Inorganic chemistry","2016","55","13","6355","6357","10.1021/acs.inorgchem.6b00865","","","1.54178","CuKα","","0.0391","0.0353","","","0.0943","0.0978","","","","","","1.058","","","","has coordinates","232649","2020-10-21","18:00:00",""
"4348022","20.4489","0.0004","20.4489","0.0004","10.3928","0.0002","90","","90","","120","","3763.6","0.13","293.58","0.1","293.58","0.1","","","","","","","","6","P 63","P 6c","173","","","","- C11 H7 K0.33 Mn Na0.33 O7.33 -","- C11 H7 K0.333333 Mn Na0.333333 O7.33333 -","- C66 H42 K2 Mn6 Na2 O44 -","6","1","","Xu, Zhong-Xuan; Liu, Liyang; Zhang, Jian","Synthesis of Metal-Organic Zeolites with Homochirality and High Porosity for Enantioselective Separation.","Inorganic chemistry","2016","55","13","6355","6357","10.1021/acs.inorgchem.6b00865","","","1.54178","CuKα","","0.0413","0.0375","","","0.0955","0.0976","","","","","","1.062","","","","has coordinates","232649","2020-10-21","18:00:00",""
"4349088","10.365","0.001","10.365","0.001","32.289","0.005","90","","90","","120","","3004.2","0.6","240","2","240","2","","","","","","","","6","P 63","P 6c","173","","","","- C48 H42 B2 F8 Fe N24 -","- C48 H42 B2 F8 Fe N24 -","- C96 H84 B4 F16 Fe2 N48 -","2","0.333333","","Calvo Galve, Néstor; Giménez-Marqués, Mónica; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Mínguez Espallargas, Guillermo; Coronado, Eugenio","Isostructural compartmentalized spin-crossover coordination polymers for gas confinement","Inorganic Chemistry Frontiers","2016","3","6","808","","10.1039/C5QI00277J","","","0.71073","MoKα","","0.4058","0.2271","","","0.4663","0.5406","","","","","","1.232","","","","has coordinates,has disorder","233574","2020-10-21","18:00:00",""
"4349089","10.2235","0.0014","10.2235","0.0014","31.903","0.008","90","","90","","120","","2887.8","0.9","120","2","120","2","","","","","","","","6","P 63","P 6c","173","","","","- C48 H42 B2 F8 Fe N24 -","- C48 H42 B2 F8 Fe N24 -","- C96 H84 B4 F16 Fe2 N48 -","2","0.333333","","Calvo Galve, Néstor; Giménez-Marqués, Mónica; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Mínguez Espallargas, Guillermo; Coronado, Eugenio","Isostructural compartmentalized spin-crossover coordination polymers for gas confinement","Inorganic Chemistry Frontiers","2016","3","6","808","","10.1039/C5QI00277J","","","0.71073","MoKα","","0.3945","0.2132","","","0.4274","0.5247","","","","","","1.147","","","","has coordinates,has disorder","233574","2020-10-21","18:00:00",""
"4350233","13.5662","0.0007","13.5662","0.0007","20.1867","0.0011","90","","90","","120","","3217.5","0.3","293","2","293","2","","","","","","","","9","P 63","P 6c","173","","","","- C48 H44 B Cu6 F4 I5 N12 O S6 -","- C48 H42 B Cu6 F4 I5 N12 O S6 -","- C96 H84 B2 Cu12 F8 I10 N24 O2 S12 -","2","0.333333","","Peng, Rong; Li, Dan; Wu, Tao; Zhou, Xiao-Ping; Ng, Seik Weng","Increasing structure dimensionality of copper(I) complexes by varying the flexible thioether ligand geometry and counteranions.","Inorganic chemistry","2006","45","10","4035","4046","10.1021/ic060074x","","","0.70173","MoKα","","0.0375","0.0335","","","0.0915","0.1001","","","","","","1.143","","","","has coordinates","239797","2020-10-21","18:00:00",""
"4350733","7.9157","0.0003","7.9157","0.0003","7.4836","0.0003","90","","90","","120","","406.09","0.03","405","","405","","","","","","","","","5","P 63","P 6c","173","","","","- C3 H8 Co N2 O6 -","- C3 H7.95 Co N1.98 O6 -","- C6 H15.9 Co2 N3.96 O12 -","2","0.333333","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0167","0.0157","","","0.0422","0.0432","","","","","","1.118","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350737","7.8798","0.0003","7.8798","0.0003","7.5682","0.0004","90","","90","","120","","406.96","0.03","400","","400","","","","","","","","","5","P 63","P 6c","173","","","","- C3 H8 Mg N2 O6 -","- C3 H7.95 Mg N1.98 O6 -","- C6 H15.9 Mg2 N3.96 O12 -","2","0.333333","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0272","0.026","","","0.0698","0.0705","","","","","","1.117","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4500649","7.4045","0.0001","7.4045","0.0001","12.2053","0.0002","90","","90","","120","","579.523","0.015","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Cs2 Mo3 O12 Te -","- Cs2 Mo3 O12 Te -","- Cs4 Mo6 O24 Te2 -","2","0.333333","","Zhang, Junjie; Tao, Xutang; Sun, Youxuan; Zhang, Zhonghan; Zhang, Chengqian; Gao, Zeliang; Xia, Haibing; Xia, Shengqing","Top-Seeded Solution Growth, Morphology, and Properties of a Polar Crystal Cs2TeMo3O12","Crystal Growth & Design","2011","11","5","1863","","10.1021/cg200050g","","","0.71073","MoKα","","0.0139","0.0138","","","0.0318","0.0318","","","","","","1.2","","","","has coordinates","202022","2020-10-21","18:00:00",""
"4501590","9.736","0.004","9.736","0.004","7.223","0.003","90","","90","","120","","592.9","0.4","223.1","","","","","","","","","","","4","P 63","P 6c","173","","","","- C9 H21 O4 P -","- C9 H21 O4 P -","- C18 H42 O8 P2 -","2","0.333333","","Durrell, Alec C.; Gray, Harry B.; Hazari, Nilay; Incarvito, Christopher D.; Liu, Jian; Yan, Elsa C. Y.","Tris(hydroxypropyl)phosphine Oxide: A Chiral Three-Dimensional Material with Nonlinear Optical Properties","Crystal Growth & Design","2010","10","4","1482","","10.1021/cg1001286","","","0.71075","MoKα","","","0.0301","","","","0.0697","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501758","19.91","0.003","19.91","0.003","20.117","0.003","90","","90","","120","","6906.2","1.8","200","","200","","","","","","","","","6","P 63","P 6c","173","","[Zn8Co(F1)5(124-btac)6(H2O)5]-12.7(H2O)","","- C129 H113.4 Co N30 O53.7 Zn8 -","- C129 H78 Co N30 O53.7 Zn8 -","- C258 H156 Co2 N60 O107.4 Zn16 -","2","0.333333","","Su, Zhi; Fan, Jian; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu","Ligand-Directed and pH-Controlled Assembly of Chiral 3d−3d Heterometallic Metal−Organic Frameworks","Crystal Growth & Design","2010","10","8","3515","","10.1021/cg100418a","","","0.71075","MoKα","","0.1018","0.0827","","","0.2111","0.2223","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502276","23.6415","0.0009","23.6415","0.0009","23.7812","0.0013","90","","90","","120","","11511","0.9","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C378 H126 Cl6 Mn3 N20 -","- C378.025 H126.017 Cl6.0084 Mn3 N20 -","- C756.05 H252.034 Cl12.0168 Mn6 N40 -","2","0.333333","","Konarev, Dmitri V.; Khasanov, Salavat S.; Lyubovskaya, Rimma N.","Molecular Complex of Fullerene C70with a Trinuclear Coordination Assembly of Manganese(II) Tetraphenylporphyrins with Octaazacryptand","Crystal Growth & Design","2010","10","4","1451","","10.1021/cg900902f","","","0.71073","","","0.129","0.09","","","0.2443","0.2749","","","","","","1.051","","","","has coordinates,has disorder","179553","2020-10-21","18:00:00",""
"4503516","10.7207","0.0005","10.7207","0.0005","8.7241","0.0008","90","","90","","120","","868.36","0.1","291","2","291","2","","","","","","","","5","P 63","P 6c","173","","","","- Co2 H8 N2 O8 P2 -","- Co2 H8 N2 O8 P2 -","- Co8 H32 N8 O32 P8 -","4","0.666667","","Lu, Ailing; Li, Niu; Ma, Yanfeng; Song, Haibin; Li, Daiping; Guan, Naijia; Xiang, Shouhe","Controlling the In situ Decomposition of Chain-Type Polyamines To Direct the Crystal Growth of Cobalt−zinc Phosphates","Crystal Growth & Design","2008","8","7","2377","","10.1021/cg701231d","","","0.71073","MoKα","","0.0225","0.0224","","","0.0608","0.0611","","","","","","1.132","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508763","12.6847","0.0009","12.6847","0.0009","5.1536","0.0007","90","","90","","120","","718.13","0.12","98","2","98","2","","","","","","","","4","P 63","P 6c","173","","","","- Al Na O6 Si -","- Al Na1.33333 O4.33333 Si -","- Al6 Na8 O26 Si6 -","6","1","","Vaughan, D. E. W.; Yennawar, H. P.; Perrotta, A. J.","Synthesis and Structure of Large Optically Clear Crystals of Gallogermanate Sodalite","Crystal Growth & Design","2006","6","9","2072","","10.1021/cg060164c","","","0.71073","MoKα","","0.0914","0.0913","","","0.2469","0.2469","","","","","","1.225","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4513481","7.3279","0.0003","7.3279","0.0003","12.4075","0.0005","90","","90","","120","","577","0.04","296","2","296","2","","","","","","","","4","P 63","P 6c","173","","","","- Cs2 O12 Te W3 -","- Cs2 O12 Te W3 -","- Cs4 O24 Te2 W6 -","2","0.333333","","Zhao, Peng; Cong, Hengjiang; Tian, Xiangxin; Sun, Youxuan; Zhang, Chengqian; Xia, Shengqing; Gao, Zeliang; Tao, Xutang","Top-Seeded Solution Growth, Structure, Morphology, and Functional Properties of a New Polar Crystal — Cs2TeW3O12","Crystal Growth & Design","2015","15","9","4484","","10.1021/acs.cgd.5b00753","","","0.71073","MoKα","","0.0129","0.0124","","","0.0247","0.0248","","","","","","1.178","","","","has coordinates","154592","2020-10-21","18:00:00",""
"4515173","14.6247","0.0003","14.6247","0.0003","30.1473","0.0006","90","","90","","120","","5584.1","0.2","110","","110","","","","","","","","","6","P 63","P 6c","173","","","","- C81 H180 Cl19 N9 Pb3 Zn2 -","- C81 H180 Cl19 N9 Pb3 Zn2 -","- C162 H360 Cl38 N18 Pb6 Zn4 -","2","0.333333","","Zhou, Chenkun; Lin, Haoran; Neu, Jennifer; Zhou, Yan; Chaaban, Maya; Lee, Sujin; Worku, Michael; Chen, Banghao; Clark, Ronald; Cheng, Wenhao; Guan, Jingjiao; Djurovich, Peter; Zhang, Dongzhou; Lü, Xujie; Bullock, James; Pak, Chongin; Shatruk, Michael; Du, Mao-Hua; Siegrist, Theo; Ma, Biwu","Green Emitting Single-Crystalline Bulk Assembly of Metal Halide Clusters with Near-Unity Photoluminescence Quantum Efficiency","ACS Energy Letters","2019","4","7","1579","","10.1021/acsenergylett.9b00991","","","0.71073","MoKα","","0.0665","0.0592","","0.0963","0.0936","0.0921","","","","","","0.9966","","","","has coordinates","220275","2020-10-21","18:00:00",""
"4517191","17.7694","0.0004","17.7694","0.0004","12.1058","0.0003","90","","90","","120","","3310.32","0.13","100.15","","100.15","","","","","","","","","7","P 63","P 6c","173","","","","- C30 H46 F12 Ir2 N2 O4 P2 -","- C30 H46 F12 Ir2 N2 O4 P2 -","- C90 H138 F36 Ir6 N6 O12 P6 -","3","0.5","","Morris, David M.; Merola, Joseph S.","Octametallic Cluster of Cp*Ir(glycinato) Cations.","ACS omega","2019","4","26","22126","22132","10.1021/acsomega.9b03267","","","0.71073","MoKα","","0.0763","0.0451","","","0.082","0.1012","","","","","","1.082","","","","has coordinates,has disorder","246537","2020-10-21","18:00:00",""
"4517727","24.7997","0.0005","24.7997","0.0005","31.9951","0.0014","90","","90","","120","","17041.5","0.9","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C48 H118 Cd7 O138 Sb24 -","- C48 H39 Cd7 O102 Sb24 -","- C192 H156 Cd28 O408 Sb96 -","4","0.666667","","Ma, Wen; Hu, Bing; Li, Ji-Long; Zhang, Zhi-Zhuan; Zeng, Xi; Jin, Jiance; Li, Zhong; Zheng, Shou-Tian; Feng, Mei-Ling; Huang, Xiao-Ying","The Uptake of Hazardous Metal Ions into a High-nuclearity Cluster Based Compound with Structural Transformation and Proton Conduction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c06082","","","0.71073","MoKα","","0.0841","0.053","","","0.1084","0.1276","","","","","","1.006","","","","has coordinates","252435","2020-10-21","18:00:00",""
"4517728","24.7944","0.0005","24.7944","0.0005","32.4228","0.0014","90","","90","","120","","17261.9","0.9","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C48 H120 Ba2 Cd7 O141 Sb24 -","- C48 H39 Ba1.99995 Cd7 O102 Sb24 -","- C192 H156 Ba7.9998 Cd28 O408 Sb96 -","4","0.666667","","Ma, Wen; Hu, Bing; Li, Ji-Long; Zhang, Zhi-Zhuan; Zeng, Xi; Jin, Jiance; Li, Zhong; Zheng, Shou-Tian; Feng, Mei-Ling; Huang, Xiao-Ying","The Uptake of Hazardous Metal Ions into a High-nuclearity Cluster Based Compound with Structural Transformation and Proton Conduction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c06082","","","0.71073","MoKα","","0.0854","0.0478","","","0.1113","0.1356","","","","","","1.076","","","","has coordinates","252436","2020-10-21","18:00:00",""
"4517729","24.9433","0.0011","24.9433","0.0011","32.281","0.005","90","","90","","120","","17393","3","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C48 H138 Cd7 O157 Sb24 U3 -","- C48 H36 Cd7 O102 Sb24 U1.5 -","- C192 H144 Cd28 O408 Sb96 U6 -","4","0.666667","","Ma, Wen; Hu, Bing; Li, Ji-Long; Zhang, Zhi-Zhuan; Zeng, Xi; Jin, Jiance; Li, Zhong; Zheng, Shou-Tian; Feng, Mei-Ling; Huang, Xiao-Ying","The Uptake of Hazardous Metal Ions into a High-nuclearity Cluster Based Compound with Structural Transformation and Proton Conduction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c06082","","","1.3405","GaKα","","0.0842","0.0671","","","0.152","0.1609","","","","","","1.125","","","","has coordinates","252437","2020-10-21","18:00:00",""
"4517730","24.7828","0.0005","24.7828","0.0005","32.4311","0.0014","90","","90","","120","","17250.2","0.9","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C48 H119 Cd7 O140 Sb24 Sr1.5 -","- C48 H39 Cd7 O102 Sb24 Sr1.5 -","- C192 H156 Cd28 O408 Sb96 Sr6 -","4","0.666667","","Ma, Wen; Hu, Bing; Li, Ji-Long; Zhang, Zhi-Zhuan; Zeng, Xi; Jin, Jiance; Li, Zhong; Zheng, Shou-Tian; Feng, Mei-Ling; Huang, Xiao-Ying","The Uptake of Hazardous Metal Ions into a High-nuclearity Cluster Based Compound with Structural Transformation and Proton Conduction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c06082","","","0.71073","MoKα","","0.0796","0.0454","","","0.1042","0.1258","","","","","","1.01","","","","has coordinates","252438","2020-10-21","18:00:00",""
"4518812","18.0282","0.0008","18.0282","0.0008","13.0723","0.0008","90","","90","","120","","3679.5","0.3","100","2","100","2","","","","","","","","8","P 63","P 6c","173","","","","- C43 H75 Cl Cu6 N10 O30 S6 Sr -","- C42.999 H36 Cl0.9999 Cu6 N9.9996 O24 S6 Sr -","- C85.998 H72 Cl1.9998 Cu12 N19.9992 O48 S12 Sr2 -","2","0.333333","","Negro, Cristina; Martínez Pérez-Cejuela, Héctor; Simó-Alfonso, Ernesto F; Herrero-Martínez, José Manuel; Bruno, Rosaria; Armentano, Donatella; Ferrando-Soria, Jesús; Pardo, Emilio","Highly Efficient Removal of Neonicotinoid Insecticides by Thioether-Based (Multivariate) Metal-Organic Frameworks.","ACS applied materials & interfaces","2021","13","24","28424","28432","10.1021/acsami.1c08833","","","0.71073","MoKα","","0.106","0.0835","","","0.2488","0.2761","","","","","","1.075","","","","has coordinates","266947","2021-07-04","01:24:19",""
"4518813","18.009","0.0008","18.009","0.0008","13.0756","0.0008","90","","90","","120","","3672.6","0.3","100","2","100","2","","","","","","","","8","P 63","P 6c","173","","","","- C43 H91 Cl Cu6 N10 O39 S7 Sr -","- C42.999 Cl0.9999 Cu6 N9.9996 O24 S6.9999 Sr -","- C85.998 Cl1.9998 Cu12 N19.9992 O48 S13.9998 Sr2 -","2","0.333333","","Negro, Cristina; Martínez Pérez-Cejuela, Héctor; Simó-Alfonso, Ernesto F; Herrero-Martínez, José Manuel; Bruno, Rosaria; Armentano, Donatella; Ferrando-Soria, Jesús; Pardo, Emilio","Highly Efficient Removal of Neonicotinoid Insecticides by Thioether-Based (Multivariate) Metal-Organic Frameworks.","ACS applied materials & interfaces","2021","13","24","28424","28432","10.1021/acsami.1c08833","","","0.71073","MoKα","","0.0949","0.0693","","","0.2149","0.2274","","","","","","1.575","","","","has coordinates","266947","2021-07-04","01:24:31",""
"4518814","17.8207","0.00005","17.8207","0.00005","12.9538","0.00006","90","","90","","120","","3562.68","0.02","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C33 H118 Cu6 N6 O57 S6 Sr -","- C33 H42 Cu6 N6 O21 S6 Sr -","- C66 H84 Cu12 N12 O42 S12 Sr2 -","2","0.333333","","Negro, Cristina; Martínez Pérez-Cejuela, Héctor; Simó-Alfonso, Ernesto F; Herrero-Martínez, José Manuel; Bruno, Rosaria; Armentano, Donatella; Ferrando-Soria, Jesús; Pardo, Emilio","Highly Efficient Removal of Neonicotinoid Insecticides by Thioether-Based (Multivariate) Metal-Organic Frameworks.","ACS applied materials & interfaces","2021","13","24","28424","28432","10.1021/acsami.1c08833","","","0.6889","Synchrotron","","0.0929","0.0574","","","0.1718","0.1847","","","","","","0.976","","","","has coordinates","266947","2021-07-04","01:24:31",""
"5900001","6.83","","6.83","","7.53","","90","","90","","120","","304.21","","","","","","","","","","","","","3","P 63","","173","","Triiodomethane","","- C H I3 -","- C H I3 -","- C2 H2 I6 -","2","0.333333","","","","DAN SSSR","1951","78","","1161","","","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5910068","10.09","","10.09","","8.49","","90","","90","","120","","748.55","","","","","","","","","","","","","4","P 63","P 6c","173","","Nephelite","","- Al Na O4 Si -","- Al8 Na12 O36 Si8 -","- Al8 Na12 O36 Si8 -","","","","Wyckoff, R. W. G.","Page 325 from the second edition of Structure of Crystals by Wyckoff. published by The Chemical Catalog Company, INC, New York in 1931 & http://database.iem.ac.ru/mincryst/","The second edition of Structure of Crystals","1931","","","325","325","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"7001219","12.369","0.005","12.369","0.005","12.992","0.005","90","","90","","120","","1721.4","1.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C12.5 H22 Fe3 Mn O29 -","- C12.51 H15 Fe3 Mn O28.99 -","- C25.02 H30 Fe6 Mn2 O57.98 -","2","0.333333","","Lytvynenko, Anton S.; Kolotilov, Sergey V.; Cador, Olivier; Gavrilenko, Konstantin S.; Golhen, Stéphane; Ouahab, Lahcène; Pavlishchuk, Vitaly V.","Porous 2D coordination polymeric formate built up by Mn(ii) linking of Fe3O units: influence of guest molecules on magnetic properties","Dalton Transactions","2009","","18","3503","3509","10.1039/b900359b","","","0.71073","MoKα","","0.068","0.0531","","","0.1358","0.1508","","","","","","1.139","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7004620","14.815","0.002","14.815","0.002","34.618","0.007","90","","90","","120","","6580.2","1.8","100","2","100","2","","","","","","","","8","P 63","P 6c","173","","","","- C20 H54.67 Cl4 Co2 N8 Ni O17.33 S4 -","- C20 H52 Cl4 Co2 N8 Ni O16.6667 S4 -","- C120 H312 Cl24 Co12 N48 Ni6 O100 S24 -","6","1","","Igashira-Kamiyama, Asako; Tamai, Toshihiro; Kawamoto, Tatsuya; Konno, Takumi","Excellent chiralselectivity in sulfur-bridged CoIIIMCoIII (M = NiII and PdII) trinuclear complexes containing 1,2-cyclohexanediamine","Dalton Transactions","2008","","44","6305","6310","10.1039/B809265f","","","0.71073","MoKα","","0.0918","0.0684","","","0.1586","0.1663","","","","","","0.987","","","","has coordinates,has disorder","179750","2020-10-21","18:00:00",""
"7004621","14.936","0.004","14.936","0.004","35.317","0.005","90","","90","","120","","6823","3","296","2","296","2","","","","","","","","8","P 63","P 6c","173","","","","- C20 H54.67 Cl4 Co2 N8 O17.33 Pd S4 -","- C20 H52 Cl4 Co2 N8 O17.3333 Pd S4 -","- C120 H312 Cl24 Co12 N48 O104 Pd6 S24 -","6","1","","Igashira-Kamiyama, Asako; Tamai, Toshihiro; Kawamoto, Tatsuya; Konno, Takumi","Excellent chiralselectivity in sulfur-bridged CoIIIMCoIII (M = NiII and PdII) trinuclear complexes containing 1,2-cyclohexanediamine","Dalton Transactions","2008","","44","6305","6310","10.1039/B809265f","","","0.71069","MoKα","","0.1693","0.0562","","","0.1491","0.1891","","","","","","0.986","","","","has coordinates,has disorder","179750","2020-10-21","18:00:00",""
"7008447","14.468","0.002","14.468","0.002","8.0751","0.0016","90","","90","","120","","1463.8","0.4","120","2","120","2","","","","","","","","6","P 63","P 6c","173","","","","- C27 H19 B N9 O3 Re -","- C27 H19 B N9 O3 Re -","- C54 H38 B2 N18 O6 Re2 -","2","0.333333","","Adams, Harry; Batten, Stuart R.; Davies, Graham M.; Duriska, Martin B.; Jeffery, John C.; Jensen, Paul; Lu, Jinzhen; Motson, Graham R.; Coles, Simon J.; Hursthouse, Michael B.; Ward, Michael D.","New bis-, tris- and tetrakis(pyrazolyl)borate ligands with 3-pyridyl and 4-pyridyl substituents: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1910","1923","10.1039/b502892b","","","0.71073","MoKα","","0.0995","0.0702","","","0.1587","0.1715","","","","","","1.051","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7014459","20.114","0.002","20.114","0.002","7.9255","0.0018","90","","90","","120","","2776.9","0.7","296","2","296","2","","","","","","","","5","P 63","P 6c","173","","","","- C13 H10 I3 N3 Pb -","- C13 H10 I3 N3 Pb -","- C78 H60 I18 N18 Pb6 -","6","1","","Duan, Hai-Bao; Zhao, Hai-Rong; Ren, Xiao-Ming; Zhou, Hong; Tian, Zheng-Fang; Jin, Wan-Qin","Inorganic-organic hybrid compounds based on face-sharing octahedral [PbI(3)](∞) chains: self-assemblies, crystal structures, and ferroelectric, photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1672","1683","10.1039/c0dt00875c","","","0.71073","MoKα","","0.1045","0.0584","","","0.1193","0.1412","","","","","","1.106","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7016749","13.46","0.002","13.46","0.002","30.805","0.005","90","","90","","120","","4833.3","1.3","150","2","150","2","","","","","","","","7","P 63","P 6c","173","","","","- C95 H85.5 F24 N14.5 Ni2 O6 P4 -","- C90 H78 F24 N12 Ni2 O6 P4 -","- C180 H156 F48 N24 Ni4 O12 P8 -","2","0.333333","","Glasson, Christopher R. K.; Meehan, George V.; Motti, Cherie A.; Clegg, Jack K.; Turner, Peter; Jensen, Paul; Lindoy, Leonard F.","New nickel(ii) and iron(ii) helicates and tetrahedra derived from expanded quaterpyridines.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10481","10490","10.1039/c1dt10667h","","","0.71073","MoKα","","0.0928","0.0878","","","0.2353","0.2395","","","","","","1.003","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7017068","18.198","0.0012","18.198","0.0012","25.236","0.002","90","","90","","120","","7237.7","0.9","200","2","200","2","","","","","","","","9","P 63","P 6c","173","","","","- C60 H211 Cl2 Cu8 La2 N12 O75.5 Pd6 S12 -","- C60 H108 Cl1.99 Cu8 La2 N12 O75.5 Pd6 S12 -","- C120 H216 Cl3.98 Cu16 La4 N24 O151 Pd12 S24 -","2","0.333333","","Wei, Qiao-Hua; Lei, Yan-Fang; Duan, Ya-Nan; Xiao, Fan-Nan; Li, Mei-Jin; Chen, Guo-Nan","Mono- and dinuclear Ru(ii) complexes of 1,4-bis(3-(2-pyridyl)pyrazol-1-ylmethyl)benzene): Synthesis, structure, photophysical properties and electrochemiluminescent determination of diuretic furosemide.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11636","11642","10.1039/c1dt11163a","","","0.71075","MoKα","","0.0497","0.0446","","","0.1129","0.1166","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017206","18.198","0.0012","18.198","0.0012","25.236","0.002","90","","90","","120","","7237.7","0.9","200","2","200","2","","","","","","","","9","P 63","P 6c","173","","","","- C60 H211 Cl2 Cu8 La2 N12 O75.5 Pd6 S12 -","- C60 H108 Cl1.99 Cu8 La2 N12 O75.5 Pd6 S12 -","- C120 H216 Cl3.98 Cu16 La4 N24 O151 Pd12 S24 -","2","0.333333","","Yoshinari, Nobuto; Konno, Takumi","Self-assembly of d-penicillaminato M(6)M'(8) (M = Ni(ii), Pd(ii), Pt(ii); M' = Cu(i), Ag(i)) clusters and their organization into extended La(iii)M(6)M'(8) supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12191","12200","10.1039/c1dt10778j","","","0.71075","MoKα","","0.0497","0.0446","","","0.1129","0.1166","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020245","15.1685","0.0003","15.1685","0.0003","14.0288","0.0003","90","","90","","120","","2795.35","0.1","123","2","123","2","","","","","","","","4","P 63","P 6c","173","","","","- C48 H111 Ga3 N4 -","- C48 H111 Ga3 N4 -","- C96 H222 Ga6 N8 -","2","0.333333","","Cadenbach, Thomas; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Pickrell, Janie-Anne; Robertson, Stuart D.","Accessing low denticity coordination modes of a high denticity tripodal ligand to complete its coordinative repertoire.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10141","10144","10.1039/c2dt31061a","","","0.71073","MoKα","","0.0414","0.0322","","","0.0674","0.0715","","","","","","1.056","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7021421","16.001","0.0007","16.001","0.0007","17.4671","0.0015","90","","90","","120","","3873","0.4","150","1","150","1","","","","","","","","5","P 63","P 6c","173","","","","- C72 H60 Ge4 O8 Sn6 -","- C72 H60 Ge4 O8 Sn6 -","- C144 H120 Ge8 O16 Sn12 -","2","0.333333","","Padělková, Zdeňka; Svec, Petr; Pejchal, Vladimír; Růžička, Aleš","Activation of E-Cl bonds (E = C, Si, Ge and Sn) by a C,N-chelated stannylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7660","7671","10.1039/c3dt50278c","","","0.71073","MoKα","","0.0459","0.0342","","","0.0673","0.0723","","","","","","1.056","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7023502","24.8315","0.0003","24.8315","0.0003","16.6832","0.0003","90","","90","","120","","8908.7","0.2","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- C48 H89 Ge2 N3 O6 Si6 -","- C48 H87 Ge2 N3 O6 Si6 -","- C288 H522 Ge12 N18 O36 Si36 -","6","1","","Li, Yan; Wang, Jinjin; Wu, Yile; Zhu, Hongping; Samuel, Prinson P.; Roesky, Herbert W.","Synthesis of metallasiloxanes of group 13-15 and their application in catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13715","13722","10.1039/c3dt51408k","","","0.71073","MoKα","","0.0935","0.0705","","","0.1702","0.1816","","","","","","1.215","","","","has coordinates,has disorder","179940","2020-10-21","18:00:00",""
"7023972","16.124","0.002","16.124","0.002","9.945","0.002","90","","90","","120","","2239.1","0.6","173","2","173","2","","","","","","","","4","P 63","P 6c","173","","","","- C45 H57 N6 Y -","- C45 H57 N6 Y -","- C90 H114 N12 Y2 -","2","0.333333","","Xu, Ling; Wang, Yu-Chen; Zhang, Wen-Xiong; Xi, Zhenfeng","Half-sandwich bis(propiolamidinate) rare-earth metal complexes: synthesis, structure and dissociation of the cyclopentadienyl ligand via competition with an amidinate.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16466","16469","10.1039/c3dt52179f","","","0.71073","MoKα","","0.0575","0.0536","","","0.1123","0.1142","","","","","","1.13","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023973","16.263","0.002","16.263","0.002","10.028","0.002","90","","90","","120","","2296.9","0.6","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- C45 H57 Er N6 -","- C45 H57 Er N6 -","- C90 H114 Er2 N12 -","2","0.333333","","Xu, Ling; Wang, Yu-Chen; Zhang, Wen-Xiong; Xi, Zhenfeng","Half-sandwich bis(propiolamidinate) rare-earth metal complexes: synthesis, structure and dissociation of the cyclopentadienyl ligand via competition with an amidinate.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16466","16469","10.1039/c3dt52179f","","","0.71073","MoKα","","0.0878","0.0551","","","0.1219","0.1305","","","","","","1.023","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7024518","16.862","0.002","16.862","0.002","9.4568","0.0019","90","","90","","120","","2328.6","0.6","123","2","123","2","","","","","","","","4","P 63","P 6c","173","Tri(2-methyl-2-propoxy)Bismuth(iii)","Tri(2-methyl-2-propoxy)Bismuth(III)","","- C12 H27 Bi O3 -","- C12 H27 Bi O3 -","- C72 H162 Bi6 O18 -","6","1","","Hatanpää, Timo; Vehkamäki, Marko; Ritala, Mikko; Leskelä, Markku","Study of bismuth alkoxides as possible precursors for ALD.","Dalton transactions (Cambridge, England : 2003)","2010","39","13","3219","3226","10.1039/b918175j","","","0.71073","MoKα","","0.0598","0.0382","","","0.0861","0.1004","","","","","","1.117","","","","has coordinates","179950","2020-10-21","18:00:00",""
"7025445","15.8761","0.0004","15.8761","0.0004","10.5809","0.0003","90","","90","","120","","2309.62","0.11","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C39 H39 Cl2 Fe N9 O8 -","- C39 H39 Cl1.99 Fe N9 O7.96 -","- C78 H78 Cl3.98 Fe2 N18 O15.92 -","2","0.333333","","Sebli, Cynthia Paul; Howson, Suzanne E.; Clarkson, Guy J.; Scott, Peter","fac-Specific syntheses of homochiral [Fe(NN)3]2+ complexes (NN = pyridine keto-hydrazone); origins of the stereoselectivity.","Dalton transactions (Cambridge, England : 2003)","2010","39","18","4447","4454","10.1039/c000815j","","","0.71073","MoKα","","0.0778","0.0568","","","0.1437","0.152","","","","","","0.947","","","","has coordinates","179960","2020-10-21","18:00:00",""
"7025446","15.8761","0.0004","15.8761","0.0004","10.5809","0.0003","90","","90","","120","","2309.62","0.11","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C39 H39 B2 F8 Fe N9 -","- C39 H39 B1.99 F7.96 Fe N9 -","- C78 H78 B3.98 F15.92 Fe2 N18 -","2","0.333333","","Sebli, Cynthia Paul; Howson, Suzanne E.; Clarkson, Guy J.; Scott, Peter","fac-Specific syntheses of homochiral [Fe(NN)3]2+ complexes (NN = pyridine keto-hydrazone); origins of the stereoselectivity.","Dalton transactions (Cambridge, England : 2003)","2010","39","18","4447","4454","10.1039/c000815j","","","0.71073","MoKα","","0.0812","0.0599","","","0.147","0.1535","","","","","","0.96","","","","has coordinates","179960","2020-10-21","18:00:00",""
"7027099","8.9482","0.0001","8.9482","0.0001","18.3758","0.0001","90","","90","","120","","1274.23","0.02","163","2","163","2","","","","","","","","6","P 63","P 6c","173","","","","- C18 H30 Cl2 Hg N8 O8 -","- C18 H30 Cl2 Hg N8 O8 -","- C36 H60 Cl4 Hg2 N16 O16 -","2","0.333333","","Apperley, David C.; Clegg, William; Coles, Simon; Coyle, Joanne L.; Martin, Noreen; Maubert, Beatrice; McKee, Vickie; Nelson, Jane","Kinetically inert cryptate systems: solid state and solution NMR studies †","Journal of the Chemical Society, Dalton Transactions","1999","","2","229","","10.1039/a806791k","","","0.6879","","","0.0484","0.0471","","","0.1232","0.1243","","","","","","1.049","","","","has coordinates","179976","2020-10-21","18:00:00",""
"7028484","32.1306","0.0004","32.1306","0.0004","7.388","0.0001","90","","90","","120","","6605.34","0.15","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- C33 H42 Cl6 N6 O6 Zn3 -","- C33 H42 Cl6 N6 O6 Zn3 -","- C198 H252 Cl36 N36 O36 Zn18 -","6","1","","Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Halogen effects on photoluminescence and catalytic properties: a series of spatially arranged trimetallic zinc(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3842","3849","10.1039/c3dt53137f","","","0.71073","MoKα","","0.0585","0.0448","","","0.0997","0.1045","","","","","","1.064","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028485","31.542","0.0003","31.542","0.0003","7.6862","0.0001","90","","90","","120","","6622.48","0.12","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- C33 H42 Br6 N6 O6 Zn3 -","- C33 H42 Br6 N6 O6 Zn3 -","- C198 H252 Br36 N36 O36 Zn18 -","6","1","","Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Halogen effects on photoluminescence and catalytic properties: a series of spatially arranged trimetallic zinc(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3842","3849","10.1039/c3dt53137f","","","0.71073","MoKα","","0.0558","0.0419","","","0.0841","0.089","","","","","","1.115","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028486","31.9496","0.0002","31.9496","0.0002","8.0211","0.0001","90","","90","","120","","7090.8","0.11","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- C33 H42 I6 N6 O6 Zn3 -","- C33 H42 I6 N6 O6 Zn3 -","- C198 H252 I36 N36 O36 Zn18 -","6","1","","Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Halogen effects on photoluminescence and catalytic properties: a series of spatially arranged trimetallic zinc(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3842","3849","10.1039/c3dt53137f","","","0.71073","MoKα","","0.0633","0.0529","","","0.0895","0.0923","","","","","","1.188","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7030222","19.161","0.003","19.161","0.003","10.4784","0.0014","90","","90","","120","","3331.7","0.9","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C60 H96 B3 F12 N3 O9 Ru3 -","- C60 H78 B3 F12 N3 O9 Ru3 -","- C120 H156 B6 F24 N6 O18 Ru6 -","2","0.333333","","Carmona, Daniel; Viguri, Fernando; Pilar Lamata, M.; Ferrer, Joaquina; Bardají, Elisa; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Ruthenium amino carboxylate complexes as asymmetric hydrogen transfer catalysts.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10298","10308","10.1039/c2dt30976a","","","0.71073","MoKα","","0.1011","0.089","","","0.1784","0.1839","","","","","","1.197","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7034317","15.8956","0.0004","15.8956","0.0004","7.6028","0.0002","90","","90","","120","","1663.64","0.07","100","2","100","2","","","","","","","synthesis as described","5","P 63","P 6c","173","","Poly{[aqua(nitrato-k2O,O')(mu4-pyrimidine-4,6-dicarboxylato-k2N,O:k2N',O':kO'':kO''')gadolinium(III)]hydrate}","","- C6 H6 Gd N3 O9 -","- C6 H6 Gd N3 O9 -","- C36 H36 Gd6 N18 O54 -","6","1","","Cepeda, Javier; Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; García, José Ángel; Lanchas, Mónica; Luque, Antonio","Enhancing luminescence properties of lanthanide(iii)/pyrimidine-4,6-dicarboxylato system by solvent-free approach.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6972","6986","10.1039/c4dt03797a","","","1.5418","CuKα","","0.02","0.0173","","","0.033","0.0338","","","","","","0.969","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7035274","12.65088","0.00013","12.65088","0.00013","8.54951","0.00009","90","","90","","120","","1184.99","0.02","30","","30","","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 Mn N O6 -","- C3 H7 Mn N O6 -","- C18 H42 Mn6 N6 O36 -","6","1","","Lawler, James M. M.; Manuel, Pascal; Thompson, Amber L.; Saines, Paul J.","Probing ferroic transitions in a multiferroic framework family: a neutron diffraction study of the ammonium transition metal formates.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11613","11620","10.1039/c5dt00733j","","","0.6889","Synchrotron","","0.0388","0.0351","","0.0744","0.0702","0.0744","","","","","","0.9457","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035275","12.5965","0.0002","12.5965","0.0001","8.2395","0.0001","90","","90","","120","","1132.22","0.02","30","","30","","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 Co N O6 -","- C3 H7 Co N O6 -","- C18 H42 Co6 N6 O36 -","6","1","","Lawler, James M. M.; Manuel, Pascal; Thompson, Amber L.; Saines, Paul J.","Probing ferroic transitions in a multiferroic framework family: a neutron diffraction study of the ammonium transition metal formates.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11613","11620","10.1039/c5dt00733j","","","0.6889","Synchrotron","","0.0432","0.0317","","0.0737","0.0594","0.0734","","","","","","0.9563","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7041861","10.0024","0.0016","10.0024","0.0016","12.406","0.003","90","","90","","120","","1074.9","0.4","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Ba4 Cl2 Se9 Si3 -","- Ba4 Cl2 Se9 Si3 -","- Ba8 Cl4 Se18 Si6 -","2","0.333333","","Liu, Peng-Fei; Li, Yan-Yan; Zheng, Yu-Jun; Yu, Ju-Song; Duan, Rui-Huan; Chen, Hong; Lin, Hua; Chen, Ling; Wu, Li-Ming","Tailored synthesis of nonlinear optical quaternary chalcohalides: Ba4Ge3S9Cl2, Ba4Si3Se9Cl2 and Ba4Ge3Se9Cl2.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2715","2721","10.1039/c6dt04294e","","","0.71073","MoKα","","0.0194","0.0186","","","0.0382","0.0383","","","","","","1.009","","","","has coordinates","193796","2020-10-21","18:00:00",""
"7041862","9.82","0.0004","9.82","0.0004","12.0544","0.0012","90","","90","","120","","1006.7","0.12","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Ba4 Cl2 Ge3 S9 -","- Ba4 Cl2 Ge3 S9 -","- Ba8 Cl4 Ge6 S18 -","2","0.333333","","Liu, Peng-Fei; Li, Yan-Yan; Zheng, Yu-Jun; Yu, Ju-Song; Duan, Rui-Huan; Chen, Hong; Lin, Hua; Chen, Ling; Wu, Li-Ming","Tailored synthesis of nonlinear optical quaternary chalcohalides: Ba4Ge3S9Cl2, Ba4Si3Se9Cl2 and Ba4Ge3Se9Cl2.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2715","2721","10.1039/c6dt04294e","","","0.71073","MoKα","","0.0179","0.0161","","","0.0274","0.0278","","","","","","1.011","","","","has coordinates","193796","2020-10-21","18:00:00",""
"7041863","10.0924","0.0006","10.0924","0.0006","12.5117","0.0014","90","","90","","120","","1103.66","0.15","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Ba4 Cl2 Ge3 Se9 -","- Ba4 Cl2 Ge3 Se9 -","- Ba8 Cl4 Ge6 Se18 -","2","0.333333","","Liu, Peng-Fei; Li, Yan-Yan; Zheng, Yu-Jun; Yu, Ju-Song; Duan, Rui-Huan; Chen, Hong; Lin, Hua; Chen, Ling; Wu, Li-Ming","Tailored synthesis of nonlinear optical quaternary chalcohalides: Ba4Ge3S9Cl2, Ba4Si3Se9Cl2 and Ba4Ge3Se9Cl2.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2715","2721","10.1039/c6dt04294e","","","0.71073","MoKα","","0.0227","0.0213","","","0.04","0.0404","","","","","","1.081","","","","has coordinates","193796","2020-10-21","18:00:00",""
"7043900","16.988","0.003","16.988","0.003","15.736","0.003","90","","90","","120","","3932.9","1.2","100","1","100","1","","","","","","","","4","P 63","P 6c","173","","","","- C31.5 H60 N2 Th -","- C24 H42 N2 Th -","- C144 H252 N12 Th6 -","6","1","","Erickson, Karla A.; Kagan, Benjamin D.; Scott, Brian; Morris , David; Kiplinger, Jaqueline","Revisiting the Bis(dimethylamido) Metallocene Complexes of Thorium and Uranium: Improved Syntheses, Structure, Spectroscopy, and Redox Energetics of (C5Me5)2An(NMe2)2 (An = Th, U)","Dalton Trans.","2017","","","","","10.1039/C7DT02373A","","","0.71073","MoKα","","0.0272","0.0224","","","0.0558","0.0574","","","","","","1.037","","","","has coordinates","199487","2020-10-21","18:00:00",""
"7043901","16.866","0.004","16.866","0.004","15.655","0.004","90","","90","","120","","3856.6","1.6","100","1","100","1","","","","","","","","4","P 63","P 6c","173","","","","- C34.5 H54 N2 U -","- C24 H42 N2 U -","- C144 H252 N12 U6 -","6","1","","Erickson, Karla A.; Kagan, Benjamin D.; Scott, Brian; Morris , David; Kiplinger, Jaqueline","Revisiting the Bis(dimethylamido) Metallocene Complexes of Thorium and Uranium: Improved Syntheses, Structure, Spectroscopy, and Redox Energetics of (C5Me5)2An(NMe2)2 (An = Th, U)","Dalton Trans.","2017","","","","","10.1039/C7DT02373A","","","0.71073","MoKα","","0.0241","0.0183","","","0.0371","0.0382","","","","","","1.109","","","","has coordinates","199487","2020-10-21","18:00:00",""
"7048174","10.711","0.0003","10.711","0.0003","6.8995","0.0003","90","","90","","120","","685.5","0.04","153","2","153","2","","","","","","","","5","P 63","P 6c","173","","","","- Ca4 Na3 O15 P3 Te -","- Ca4 Na3 O15 P3 Te -","- Ca8 Na6 O30 P6 Te2 -","2","0.333333","","Li, Zhuang; Zhang, Shengzi; Yin, Wenlong; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","Na<sub>3</sub>Ca<sub>4</sub>(TeO<sub>3</sub>)(PO<sub>4</sub>)<sub>3</sub>: a new noncentrosymmetric tellurite phosphate with fascinating multimember-ring architectures and intriguing nonlinear optical performance.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17198","17201","10.1039/c8dt04354j","","","0.71073","MoKα","","0.0409","0.0409","","","0.0965","0.0965","","","","","","1.196","","","","has coordinates","229729","2020-10-21","18:00:00",""
"7048664","16.1241","0.0003","16.1241","0.0003","11.4641","0.0002","90","","90","","120","","2581.2","0.08","150","2","150","2","","","","","","","","5","P 63","P 6c","173","","","","- C15 H28 Au Cl N2 -","- C15 H28 Au Cl N2 -","- C90 H168 Au6 Cl6 N12 -","6","1","","Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.","Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1850","1858","10.1039/c8dt04462g","","","0.71073","MoKα","","0.0488","0.0411","","","0.0775","0.0808","","","","","","1.051","","","","has coordinates,has disorder","223995","2020-10-21","18:00:00",""
"7049436","14.92","0.002","14.92","0.002","19.254","0.003","90","","90","","120","","3711.8","0.9","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C78 H114 K N5 O9 Se U -","- C78 H114 K N5 O9 Se U -","- C156 H228 K2 N10 O18 Se2 U2 -","2","0.333333","","Rosenzweig, Michael W.; Hümmer, Julian; Scheurer, Andreas; Lamsfus, Carlos Alvarez; Heinemann, Frank W.; Maron, Laurent; Mazzanti, Marinella; Meyer, Karsten","A complete series of uranium(iv) complexes with terminal hydrochalcogenido (EH) and chalcogenido (E) ligands E = O, S, Se, Te.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10853","10864","10.1039/c9dt00530g","","","0.71073","MoKα","","0.0741","0.0349","","","0.0632","0.0735","","","","","","0.975","","","","has coordinates","223754","2020-10-21","18:00:00",""
"7049437","14.825","0.002","14.825","0.002","19.561","0.003","90","","90","","120","","3723.2","0.9","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C78 H114 K N5 O10 U -","- C78 H114 K N5 O10 U -","- C156 H228 K2 N10 O20 U2 -","2","0.333333","","Rosenzweig, Michael W.; Hümmer, Julian; Scheurer, Andreas; Lamsfus, Carlos Alvarez; Heinemann, Frank W.; Maron, Laurent; Mazzanti, Marinella; Meyer, Karsten","A complete series of uranium(iv) complexes with terminal hydrochalcogenido (EH) and chalcogenido (E) ligands E = O, S, Se, Te.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10853","10864","10.1039/c9dt00530g","","","0.71073","MoKα","","0.0394","0.0249","","","0.0589","0.0649","","","","","","1.098","","","","has coordinates","223754","2020-10-21","18:00:00",""
"7049438","14.886","0.004","14.886","0.004","19.469","0.006","90","","90","","120","","3736.2","1.8","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C78 H114 K N5 O9 Te U -","- C78 H114 K N5 O9 Te U -","- C156 H228 K2 N10 O18 Te2 U2 -","2","0.333333","","Rosenzweig, Michael W.; Hümmer, Julian; Scheurer, Andreas; Lamsfus, Carlos Alvarez; Heinemann, Frank W.; Maron, Laurent; Mazzanti, Marinella; Meyer, Karsten","A complete series of uranium(iv) complexes with terminal hydrochalcogenido (EH) and chalcogenido (E) ligands E = O, S, Se, Te.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10853","10864","10.1039/c9dt00530g","","","0.71073","MoKα","","0.1463","0.0599","","","0.1247","0.1568","","","","","","1","","","","has coordinates","223754","2020-10-21","18:00:00",""
"7049440","20.3282","0.0006","20.3282","0.0006","18.6007","0.0006","90","","90","","120","","6656.7","0.4","100","2","100.15","","","","","","","","","6","P 63","P 6c","173","","","","- C73 H105 N3 O6.25 Se U -","- C69 H96.9999 N3 O5.25 Se U -","- C276 H388 N12 O21 Se4 U4 -","4","0.666667","","Rosenzweig, Michael W.; Hümmer, Julian; Scheurer, Andreas; Lamsfus, Carlos Alvarez; Heinemann, Frank W.; Maron, Laurent; Mazzanti, Marinella; Meyer, Karsten","A complete series of uranium(iv) complexes with terminal hydrochalcogenido (EH) and chalcogenido (E) ligands E = O, S, Se, Te.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10853","10864","10.1039/c9dt00530g","","","0.71073","MoKα","","0.0461","0.033","","","0.084","0.0898","","","","","","1.061","","","","has coordinates","223754","2020-10-21","18:00:00",""
"7056359","15.7192","0.0013","15.7192","0.0013","15.4669","0.0019","90","","90","","120","","3309.7","0.6","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- C71 H51 Cu4 I4 N7 O6 -","- C71 H50.9997 Cu4 I4 N7 O6 -","- C142 H101.999 Cu8 I8 N14 O12 -","2","0.333333","","razali, mohd rizal; Zhan, Shun-Ze; Tai Wei, Chan","Solvent-mediated single-crystal-to-single-crystal transformation from dimeric to tetrameric copper(I) complex based on a substituted pyridine derived from the Diels-Alder adduct","New J. Chem.","2017","","","","","10.1039/C7NJ01552F","","","0.71073","MoKα","","0.0808","0.0579","","","0.1061","0.1165","","","","","","1.031","","","","has coordinates","198109","2020-10-21","18:00:00",""
"7058844","19.6072","0.0006","19.6072","0.0006","24.0094","0.0013","90","","90","","120","","7993.6","0.6","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- C36 H36 Co N12 O4 S -","- C36 H36 Co N12 O3.999 S -","- C288 H288 Co8 N96 O31.992 S8 -","8","1.33333","","Shang, Qigao; Zeng, Tianyu; Gao, Ke; Liu, Nannan; Cheng, Qingrong; Liao, Guiying; Pan, Zhiquan; Zhou, Hong","A novel nitrogen heterocyclic ligand-based MOF: synthesis, characterization and photocatalytic properties","New Journal of Chemistry","2019","43","42","16595","","10.1039/C9NJ04371C","","","0.71073","MoKα","","0.1302","0.0685","","","0.1583","0.1943","","","","","","1.089","","","","has coordinates,has disorder","224779","2020-10-21","18:00:00",""
"7060141","21.6539","0.0006","21.6539","0.0006","8.3373","0.0003","90","","90","","120","","3385.54","0.18","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C16 H11 Co2 N5 O6 -","- C16 H13 Co2 N5 O6 -","- C96 H78 Co12 N30 O36 -","6","1","","Wu, Tai-Xue; Jia, Jun-Song; Luo, Wei; Bian, He-Dong; Tang, Hai-Tao; Pan, Ying-Ming; Huang, Fu-Ping","A robust heterogeneous Co-MOF catalyst in azide‒alkyne cycloaddition and Friedel‒Crafts reactions as well as hydrosilylation of alkynes","New Journal of Chemistry","2021","45","2","872","880","10.1039/D0NJ04626D","","x-ray","0.71073","MoKα","","0.0284","0.0241","","","0.0563","0.0587","","","","","","1.052","","","","has coordinates","261740","2021-02-04","23:27:38",""
"7060142","21.6328","0.0009","21.6328","0.0009","8.3468","0.0004","90","","90","","120","","3382.8","0.3","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C16 H13 Co2 N5 O6.33 -","- C16 H13 Co2 N5 O6 -","- C96 H78 Co12 N30 O36 -","6","1","","Wu, Tai-Xue; Jia, Jun-Song; Luo, Wei; Bian, He-Dong; Tang, Hai-Tao; Pan, Ying-Ming; Huang, Fu-Ping","A robust heterogeneous Co-MOF catalyst in azide‒alkyne cycloaddition and Friedel‒Crafts reactions as well as hydrosilylation of alkynes","New Journal of Chemistry","2021","45","2","872","880","10.1039/D0NJ04626D","","","0.71073","MoKα","","0.0416","0.0327","","","0.0631","0.0658","","","","","","0.972","","","","has coordinates","261740","2021-02-04","23:27:38",""
"7062672","15.2329","0.0003","15.2329","0.0003","27.0649","0.0005","90","","90","","120","","5438.79","0.18","153","2","153","","","","","","","","","6","P 63","P 6c","173","","","","- C62 H104 Al3 Cl34 N9 O13 -","- C62 H104 Al3 Cl34 N9 O13 -","- C124 H208 Al6 Cl68 N18 O26 -","2","0.333333","","Schumann, Erik; Böhme, Uwe; Brendler, Erica; Mertens, Florian","Syntheses and ligand exchange experiments of N,N-dialkylcarbamate bridged {Al3(μ3-O)}7+ complexes","New Journal of Chemistry","2023","47","36","16981","16992","10.1039/D3NJ02389C","","","0.71073","MoKα","","0.0336","0.0277","","","0.0588","0.0637","","","","","","1.099","","","","has coordinates,has disorder","286773","2023-10-06","00:31:41",""
"7101317","15.769","0.003","15.769","0.003","7.091","0.0011","90","","90","","120","","1527","0.4","150","2","150","2","","","","","","","","4","P 63","P 6c","173","","","","- C27 H39 N3 O9 -","- C27 H39 N3 O9 -","- C54 H78 N6 O18 -","2","0.333333","","Arindam Banerjee; Partha Pratim Bose; Apurba Das; M.Drew","Formation of triple helical nanofibers using self-assembling chiral pseudopeptides and reversal of the nanostructure's handedness using mirror image building blocks","Chemical Communications","2006","","30","","","10.1039/b606371c","","","0.71073","MoKα","","0.1528","0.1011","","","0.2352","0.2557","","","","","","1.034","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7101403","18.9573","0.0007","18.9573","0.0007","12.564","0.0007","90","","90","","120","","3910.3","0.3","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C72 H87 Cl3 N9 O21 Zn2 -","- C72 H87 Cl3 N9 O20.99 Zn2 -","- C144 H174 Cl6 N18 O41.98 Zn4 -","2","0.333333","","D.Coquiere; J.Marrot; O.Reinaud","Encapsulation of a (H~3~O~2~)^-^ Unit in the Aromatic Core of a Calix[6]arene Closed by Two Zn(II) Ions at the Small and Large Rims","Chemical Communications","2006","","37","","","10.1039/b608203c","","","0.71073","MoKα","","0.1342","0.1031","","","0.2737","0.3044","","","","","","1.06","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7102310","15.847","0.002","15.847","0.002","21.396","0.004","90","","90","","120","","4653.3","1.2","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C96 H146 Al3 Li3 N6 O3 -","- C96.012 H146.028 Al3 Li3 N6 O3 -","- C192.024 H292.056 Al6 Li6 N12 O6 -","2","0.333333","","Singh, Sanjay; Chai, Jianfang; Pal, Aritra; Jancik, Vojtech; Roesky, Herbert W.; Herbst-Irmer, Regine","Base free lithium-organoaluminate and the gallium congener: potential precursors to heterometallic assemblies","Chemical Communications (Cambridge, United Kingdom)","2007","","46","4934","4936","10.1039/b712240c","","","1.54178","CuKα","","0.0258","0.0249","","","0.0661","0.0667","","","","","","1.069","","","","has coordinates,has disorder","210774","2020-10-21","18:00:00",""
"7102311","15.902","0.002","15.902","0.002","21.419","0.003","90","","90","","120","","4690.7","1.1","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C96 H146 Ga3 Li3 N6 O3 -","- C95.94 H145.86 Ga3 Li3 N6 O3 -","- C191.88 H291.72 Ga6 Li6 N12 O6 -","2","0.333333","","Singh, Sanjay; Chai, Jianfang; Pal, Aritra; Jancik, Vojtech; Roesky, Herbert W.; Herbst-Irmer, Regine","Base free lithium-organoaluminate and the gallium congener: potential precursors to heterometallic assemblies","Chemical Communications (Cambridge, United Kingdom)","2007","","46","4934","4936","10.1039/b712240c","","","1.54178","CuKα","","0.0224","0.0218","","","0.0601","0.0606","","","","","","1.05","","","","has coordinates,has disorder","210774","2020-10-21","18:00:00",""
"7102909","11.5255","0.0003","11.5255","0.0003","15.193","0.001","90","","90","","120","","1747.81","0.13","243","2","243","2","","","","","","","","8","P 63","P 6c","173","","","","- C27 H39 B Br Cl N6 Ni S3 -","- C26.94 H38.94 B Br Cl N6 Ni S3 -","- C53.88 H77.88 B2 Br2 Cl2 N12 Ni2 S6 -","2","0.333333","","Pang, Keliang; Tanski, Joseph M; Parkin, Gerard","Reactivity of the Ni‒>B dative sigma-bond in the nickel boratrane compounds [kappa4-B(mimBut)3]NiX (X=Cl, OAc, NCS, N3): synthesis of a series of B-functionalized tris(2-mercapto-1-tert-butylimidazolyl)borato complexes, [YTmBut)]NiZ.","Chemical communications (Cambridge, England)","2008","","8","1008","1010","10.1039/b714466k","","","0.71073","MoKα","","0.0799","0.0572","","","0.1435","0.1611","","","","","","1.046","","","","has coordinates,has disorder","180131","2020-10-21","18:00:00",""
"7102910","11.397","0.0003","11.397","0.0003","14.7256","0.0008","90","","90","","120","","1656.47","0.11","125","2","125","2","","","","","","","","8","P 63","P 6c","173","","","","- C27 H39 B Cl F N6 Ni S3 -","- C27 H39 B Cl F N6 Ni S3 -","- C54 H78 B2 Cl2 F2 N12 Ni2 S6 -","2","0.333333","","Pang, Keliang; Tanski, Joseph M; Parkin, Gerard","Reactivity of the Ni‒>B dative sigma-bond in the nickel boratrane compounds [kappa4-B(mimBut)3]NiX (X=Cl, OAc, NCS, N3): synthesis of a series of B-functionalized tris(2-mercapto-1-tert-butylimidazolyl)borato complexes, [YTmBut)]NiZ.","Chemical communications (Cambridge, England)","2008","","8","1008","1010","10.1039/b714466k","","","0.71073","MoKα","","0.0367","0.0294","","","0.0674","0.0705","","","","","","1.028","","","","has coordinates","180131","2020-10-21","18:00:00",""
"7102914","11.4569","0.0003","11.4569","0.0003","14.8181","0.0008","90","","90","","120","","1684.45","0.11","115","2","115","2","","","","","","","","7","P 63","P 6c","173","","","","- C27 H39 B Cl2 N6 Ni S3 -","- C27 H39 B Cl2 N6 Ni S3 -","- C54 H78 B2 Cl4 N12 Ni2 S6 -","2","0.333333","","Pang, Keliang; Tanski, Joseph M; Parkin, Gerard","Reactivity of the Ni‒>B dative sigma-bond in the nickel boratrane compounds [kappa4-B(mimBut)3]NiX (X=Cl, OAc, NCS, N3): synthesis of a series of B-functionalized tris(2-mercapto-1-tert-butylimidazolyl)borato complexes, [YTmBut)]NiZ.","Chemical communications (Cambridge, England)","2008","","8","1008","1010","10.1039/b714466k","","","0.71073","MoKα","","0.0526","0.0519","","","0.1348","0.1353","","","","","","1.052","","","","has coordinates","180131","2020-10-21","18:00:00",""
"7104940","15.1037","0.001","15.1037","0.001","19.399","0.002","90","","90","","120","","3832.4","0.5","120","2","120","2","","","","","","","","3","P 63","P 6c","173","","","","- C127 H52 O3 -","- C127 H52 O3 -","- C254 H104 O6 -","2","0.333333","","Kobayashi, Junji; Domoto, Yuya; Kawashima, Takayuki","Inclusion of C60 into the hexagonal columnar space formed by intra- and intermolecular CH...pi interactions.","Chemical communications (Cambridge, England)","2009","","41","6186","6188","10.1039/b909881j","","","0.7107","MoKα","","0.0669","0.0626","","","0.1641","0.1684","","","","","","1.099","","","","has coordinates","180153","2020-10-21","18:00:00",""
"7107012","41.414","0.006","41.414","0.006","17.637","0.003","90","","90","","120","","26197","7","296","2","296","2","","","","","","","","5","P 63","P 6c","173","","","","- C54 H30 N O15 Zn4 -","- C54 H30 N O15 Zn4 -","- C324 H180 N6 O90 Zn24 -","6","1","","Mohan Padmanaban; Philipp Muller; Christian Lieder; Kristina Gedrich; Ronny Grunker; Volodymyr Bon; Irena Senkovska; Sandra Baumgartner; Sabine Opelt; Silvia Paasch; Eike Brunner; Frank Glorius; Elias Klemm; Stefan Kaskel","Application of a chiral metal-organic framework in enantioselective separation","Chem.Commun.","2011","47","","12089","","10.1039/c1cc14893a","","","0.88561","synchrotron","","0.0533","0.0398","","","0.1066","0.1115","","","","","","0.942","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107013","41.459","0.006","41.459","0.006","17.561","0.004","90","","90","","120","","26141","8","296","2","296","2","","","","","","","","5","P 63","P 6c","173","","","","- C50 H32 N O15 Zn4 -","- C50 H32 N O15 Zn4 -","- C300 H192 N6 O90 Zn24 -","6","1","","Mohan Padmanaban; Philipp Muller; Christian Lieder; Kristina Gedrich; Ronny Grunker; Volodymyr Bon; Irena Senkovska; Sandra Baumgartner; Sabine Opelt; Silvia Paasch; Eike Brunner; Frank Glorius; Elias Klemm; Stefan Kaskel","Application of a chiral metal-organic framework in enantioselective separation","Chem.Commun.","2011","47","","12089","","10.1039/c1cc14893a","","","0.8856","synchrotron","","0.0532","0.0427","","","0.1142","0.1181","","","","","","1.042","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107528","21.2675","0.0006","21.2675","0.0006","25.9142","0.001","90","","90","","120","","10150.8","0.6","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C63 H51.667 Ag2 B2 F8 N13 O4.333 -","- C63 H51 Ag2 B1.66667 F6.66667 N13 O4.33333 -","- C378 H306 Ag12 B10 F40 N78 O26 -","6","1","","Andrew Stephenson; Michael D. Ward","A triple helix of double helicates: three hierarchical levels of self-assembly in a single structure","Chem.Commun.","2012","48","","3605","","10.1039/c2cc30197k","","","0.71073","MoKα","","0.1342","0.12","","","0.3588","0.3673","","","","","","1.481","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7109406","16.8745","0.0007","16.8745","0.0007","21.0124","0.0014","90","","90","","120","","5181.7","0.5","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C66 H134 Cu6 N12 O37 -","- C66 H119.91 Cu6 N12 O37 -","- C132 H239.82 Cu12 N24 O74 -","2","0.333333","","Thais Grancha; Jesus Ferrando-Soria; Joan Cano; Francesc Lloret; Miguel Julve; Giovanni De Munno; Donatella Armentano; Emilio Pardo","Enantioselective self-assembly of antiferromagnetic hexacopper(II) wheels with chiral amino acid oxamates","Chem.Commun.","2013","49","","5942","","10.1039/c3cc42776e","","","0.71073","MoKα","","0.0731","0.0595","","","0.1629","0.1842","","","","","","1.156","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109407","16.7208","0.0004","16.7208","0.0004","20.8549","0.0008","90","","90","","120","","5049.6","0.3","296","2","296","2","","","","","","","","5","P 63","P 6c","173","","","","- C66 H134 Cu6 N12 O37 -","- C66 H119.91 Cu6 N12 O37 -","- C132 H239.82 Cu12 N24 O74 -","2","0.333333","","Thais Grancha; Jesus Ferrando-Soria; Joan Cano; Francesc Lloret; Miguel Julve; Giovanni De Munno; Donatella Armentano; Emilio Pardo","Enantioselective self-assembly of antiferromagnetic hexacopper(II) wheels with chiral amino acid oxamates","Chem.Commun.","2013","49","","5942","","10.1039/c3cc42776e","","","0.71073","MoKα","","0.0745","0.0611","","","0.1637","0.1831","","","","","","1.144","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7110214","19.2442","0.0017","19.2442","0.0017","21.4089","0.0019","90","","90","","120","","6866.3","1.1","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C120 H243 N36 O3 S3 Sc9 -","- C120 H243 N36 O3 S3 Sc9 -","- C240 H486 N72 O6 S6 Sc18 -","2","0.333333","","Peng Cui; Thomas P. Spaniol; Laurent Maron; Jun Okuda","An ion pair scandium hydride supported by a dianionic (NNNN)-type macrocycle ligand","Chem.Commun.","2014","50","","424","","10.1039/c3cc47805j","","","0.71073","MoKα","","0.0743","0.0665","","","0.1758","0.1845","","","","","","1.041","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7111342","13.5462","0.0004","13.5462","0.0004","14.8813","0.0009","90","","90","","120","","2364.87","0.17","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","(2a)","","- C49 H59 Cl2 N9 O3 -","- C48.99 H58.98 Cl1.98 N9 O3 -","- C97.98 H117.96 Cl3.96 N18 O6 -","2","0.333333","","Haberhauer, Gebhard; Oeser, Thomas; Rominger, Frank","A C3-symmetric molecular scaffold for the construction of large receptors","Chemical Communications","2004","","18","2044","2045","10.1039/b406335j","","","0.71073","MoKα","","0.1263","0.1258","","","0.253","0.2532","","","","","","1.133","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7112029","13.6656","0.0009","13.6656","0.0009","12.2841","0.0008","90","","90","","120","","1986.7","0.2","88","2","88","2","","","","","","","","6","P 63","P 6c","173","","","","- C33 H48 Fe N5 O6 S3 -","- C33 H47.9997 Fe N5 O6 S3 -","- C66 H95.9994 Fe2 N10 O12 S6 -","2","0.333333","","Nathaniel S. Sickerman; Sonja M. Peterson; Joseph W. Ziller; A. S. Borovik","Synthesis, structure and reactivity of FeII/III-NH3 complexes bearing a tripodal sulfonamido ligand","Chem.Commun.","2014","50","","2515","","10.1039/c3cc48804g","","","0.71073","MoKα","","0.0233","0.0221","","","0.0611","0.0616","","","","","","1.067","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112030","13.645","0.0009","13.645","0.0009","12.2882","0.0008","90","","90","","120","","1981.4","0.2","143","2","143","2","","","","","","","","6","P 63","P 6c","173","","","","- C33 H48 Ga N5 O6 S3 -","- C33 H48 Ga N5 O6 S3 -","- C66 H96 Ga2 N10 O12 S6 -","2","0.333333","","Nathaniel S. Sickerman; Sonja M. Peterson; Joseph W. Ziller; A. S. Borovik","Synthesis, structure and reactivity of FeII/III-NH3 complexes bearing a tripodal sulfonamido ligand","Chem.Commun.","2014","50","","2515","","10.1039/c3cc48804g","","","0.71073","MoKα","","0.019","0.0186","","","0.0518","0.052","","","","","","1.058","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112844","14.5393","0.0003","14.5393","0.0003","27.7615","0.0013","90","","90","","120","","5082.3","0.3","298","2","298","2","","","","","","","","8","P 63","P 6c","173","","","","- C92 H118 Ag3 B3 Cl4 F12 N12 O3 -","- C92 H108 Ag3 B3 Cl3.99 F12 N12 O3 -","- C184 H216 Ag6 B6 Cl7.98 F24 N24 O6 -","2","0.333333","","Wang, Dehui; Zhang, Bingguang; He, Cheng; Wu, Pengyan; Duan, Chunying","A new chiral N-heterocyclic carbene silver(I) cylinder: synthesis, crystal structure and catalytic properties.","Chemical communications (Cambridge, England)","2010","46","26","4728","4730","10.1039/c000793e","","","0.71073","MoKα","","0.1394","0.0759","","","0.1978","0.2141","","","","","","0.877","","","","has coordinates,has disorder","180242","2020-10-21","18:00:00",""
"7112845","17.0096","0.0004","17.0096","0.0004","11.8953","0.0007","90","","90","","120","","2980.5","0.2","298","2","298","2","","","","","","","","6","P 63","P 6c","173","","","","- C47 H62 B3 F12 N7 O -","- C47 H57 B3 F12 N7 O -","- C94 H114 B6 F24 N14 O2 -","2","0.333333","","Wang, Dehui; Zhang, Bingguang; He, Cheng; Wu, Pengyan; Duan, Chunying","A new chiral N-heterocyclic carbene silver(I) cylinder: synthesis, crystal structure and catalytic properties.","Chemical communications (Cambridge, England)","2010","46","26","4728","4730","10.1039/c000793e","","","0.71073","MoKα","","0.0956","0.0784","","","0.2186","0.2399","","","","","","0.999","","","","has coordinates","180242","2020-10-21","18:00:00",""
"7114534","14.6173","0.0011","14.6173","0.0011","8.3838","0.0008","90","","90","","120","","1551.3","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","2,4,6-Tris-(4-nitrophenoxy)-1,3,5-triazine, Chloroform solvate","","- C24 H15 Cl9 N6 O9 -","- C23.97 H12 Cl9 N6 O9 -","- C47.94 H24 Cl18 N12 O18 -","2","0.333333","","Jetti, Ram K. R.; Thallapally, Praveen K.; Nangia, Ashwini; Lam, Chi-Keung; Mak, Thomas C. W.","2,4,6-Tris(4-nitrophenoxy)-1,3,5-triazine: a hexagonal host framework stabilised by the NO2-trimer supramolecular synthon","Chemical Communications","2002","","9","952","","10.1039/b200152g","","","0.71073","MoKα","","0.0846","0.0569","","","0.1654","0.1953","","","","","","1.075","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114838","15.4817","0.0006","15.4817","0.0006","7.0107","0.0004","90","","90","","120","","1455.22","0.12","294","2","294","2","","","","","","","","6","P 63","P 6c","173","2,4,6-tris-(4-chlorophenoxy)-1,3,5-triazine, triiodobenzene clathrate","","","- C27 H15 Cl3 I3 N3 O3 -","- C27 H15 Cl3 I3 N3 O3 -","- C54 H30 Cl6 I6 N6 O6 -","2","0.333333","","Jetti, Ram K. R.; Nangia, Ashwini; Xue, Feng; Mak, Thomas C. W.","Polar host‒guest assembly mediated by halogen‥π interaction: inclusion complexes of 2,4,6-tris(4-halophenoxy)-1,3,5-triazine (halo = chloro, bromo) with trihalobenzene (halo = bromo, iodo)","Chemical Communications","2001","","10","919","","10.1039/b102150h","","","0.71073","MoKα","","0.0305","0.0249","","","0.0616","0.0635","","","","","","1.038","","","","has coordinates","180262","2020-10-21","18:00:00",""
"7114839","15.442","0.0013","15.442","0.0013","6.9909","0.0007","90","","90","","120","","1443.7","0.2","294","2","294","2","","","","","","","","5","P 63","P 6c","173","2,4,6-tris-(4-bromophenoxy)-1,3,5-triazine, tribromobenzene clathrate","","","- C27 H15 Br6 N3 O3 -","- C27 H15 Br6 N3 O3 -","- C54 H30 Br12 N6 O6 -","2","0.333333","","Jetti, Ram K. R.; Nangia, Ashwini; Xue, Feng; Mak, Thomas C. W.","Polar host‒guest assembly mediated by halogen‥π interaction: inclusion complexes of 2,4,6-tris(4-halophenoxy)-1,3,5-triazine (halo = chloro, bromo) with trihalobenzene (halo = bromo, iodo)","Chemical Communications","2001","","10","919","","10.1039/b102150h","","","0.71073","MoKα","","0.0771","0.0706","","","0.1681","0.1732","","","","","","1.105","","","","has coordinates","180262","2020-10-21","18:00:00",""
"7114840","15.6268","0.0016","15.6268","0.0016","7.0464","0.001","90","","90","","120","","1490.2","0.3","293","2","293","2","","","","","","","","6","P 63","P 6c","173","2,4,6-tris-(4-bromophenoxy)-1,3,5-triazine, triiodobenzene clathrate","","","- C27 H15 Br3 I3 N3 O3 -","- C27 H15 Br3 I3 N3 O3 -","- C54 H30 Br6 I6 N6 O6 -","2","0.333333","","Jetti, Ram K. R.; Nangia, Ashwini; Xue, Feng; Mak, Thomas C. W.","Polar host‒guest assembly mediated by halogen‥π interaction: inclusion complexes of 2,4,6-tris(4-halophenoxy)-1,3,5-triazine (halo = chloro, bromo) with trihalobenzene (halo = bromo, iodo)","Chemical Communications","2001","","10","919","","10.1039/b102150h","","","0.71073","MoKα","","0.0385","0.027","","","0.0607","0.0649","","","","","","0.993","","","","has coordinates","180262","2020-10-21","18:00:00",""
"7115027","9.086","0.0013","9.086","0.0013","19.164","0.004","90","","90","","120","","1370.1","0.4","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C21 H27 K Mn O1.5 -","- C21.54 H15 K Mn O2.01 -","- C43.08 H30 K2 Mn2 O4.02 -","2","0.333333","","Bond, Andrew D.; Layfield, Richard A.; MacAllister, Judith A.; Rawson, Jeremy M.; Wright, Dominic S.; McPartlin, Mary","The first observation of the [Cp3Mn]‒ anion; structures of hexagonal [(η2-Cp)3MnK·1.5thf] and ion-separated [(η2-Cp)3Mn]2[Mg(thf)6]·2thf","Chemical Communications","2001","","19","1956","","10.1039/b106366a","","","0.71073","MoKα","","0.1375","0.0876","","0.3169","0.229","","","","1.06","1.094","1.094","","","","","has coordinates,has disorder","180264","2020-10-21","18:00:00",""
"7116732","13.1191","0.0003","13.1191","0.0003","16.014","0.0005","90","","90","","120","","2386.92","0.11","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","[NaCo3(IA)6](NO3)","","- C36 H24 Co3 N13 Na O15.25 -","- C36 H24 Co3 N13 Na O15.25 -","- C72 H48 Co6 N26 Na2 O30.5 -","2","0.333333","","Ru-Xin Yao; Xin Cui; Jun Wang; Xian-Ming Zhang","A homochiral magnet based on D3 symmetric [(NaO3)Co3] clusters: from spontaneous resolution to absolute chiral induction","Chem.Commun.","2015","51","","5108","","10.1039/C5cc00003C","","","1.54178","CuKα","","0.0496","0.0454","","","0.1147","0.1185","","","","","","1.115","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116733","13.1177","0.0004","13.1177","0.0004","16.005","0.0004","90","","90","","120","","2385.07","0.12","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C36 H27 Co3 N13 Na O15 -","- C36 H27 Co3 N13 Na O15 -","- C72 H54 Co6 N26 Na2 O30 -","2","0.333333","","Ru-Xin Yao; Xin Cui; Jun Wang; Xian-Ming Zhang","A homochiral magnet based on D3 symmetric [(NaO3)Co3] clusters: from spontaneous resolution to absolute chiral induction","Chem.Commun.","2015","51","","5108","","10.1039/C5cc00003C","","","1.54178","CuKα","","0.0489","0.0456","","","0.1211","0.124","","","","","","1.123","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7117871","18.3143","0.001","18.3143","0.001","6.1688","0.0005","90","","90","","120","","1791.9","0.2","291","2","291","2","","","","","","","","6","P 63","P 6c","173","","","","- C9 H16 Co N O5 P -","- C9 H16 Co N O5 P -","- C54 H96 Co6 N6 O30 P6 -","6","1","","Liu, Xun-Gao; Bao, Song-Song; Huang, Jian; Otsubo, Kazuya; Feng, Jian-Shen; Ren, Min; Hu, Feng-Chun; Sun, Zhihu; Zheng, Li-Min; Wei, Shiqiang; Kitagawa, Hiroshi","Homochiral metal phosphonate nanotubes.","Chemical communications (Cambridge, England)","2015","51","82","15141","15144","10.1039/c5cc05647k","","","0.71073","MoKα","","0.0508","0.0455","","","0.1414","0.1524","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117872","18.288","0.008","18.288","0.008","6.168","0.004","90","","90","","120","","1786.5","1.6","291","2","291","2","","","","","","","","6","P 63","P 6c","173","","","","- C9 H16 Co N O5 P -","- C9 H16 Co N O5 P -","- C54 H96 Co6 N6 O30 P6 -","6","1","","Liu, Xun-Gao; Bao, Song-Song; Huang, Jian; Otsubo, Kazuya; Feng, Jian-Shen; Ren, Min; Hu, Feng-Chun; Sun, Zhihu; Zheng, Li-Min; Wei, Shiqiang; Kitagawa, Hiroshi","Homochiral metal phosphonate nanotubes.","Chemical communications (Cambridge, England)","2015","51","82","15141","15144","10.1039/c5cc05647k","","","0.71073","MoKα","","0.0602","0.0522","","","0.1233","0.126","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117873","18.0812","0.0015","18.0812","0.0015","6.1296","0.0006","90","","90","","120","","1735.5","0.3","291","2","291","2","","","","","","","","6","P 63","P 6c","173","","","","- C9 H16 N Ni O5 P -","- C9 H16 N Ni O5 P -","- C54 H96 N6 Ni6 O30 P6 -","6","1","","Liu, Xun-Gao; Bao, Song-Song; Huang, Jian; Otsubo, Kazuya; Feng, Jian-Shen; Ren, Min; Hu, Feng-Chun; Sun, Zhihu; Zheng, Li-Min; Wei, Shiqiang; Kitagawa, Hiroshi","Homochiral metal phosphonate nanotubes.","Chemical communications (Cambridge, England)","2015","51","82","15141","15144","10.1039/c5cc05647k","","","0.71073","MoKα","","0.0351","0.0313","","","0.0818","0.1036","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117874","18.1621","0.0006","18.1621","0.0006","6.168","0.007","90","","90","","120","","1762","2","296","2","296","2","","","","","","","","6","P 63","P 6c","173","","","","- C9 H16 N Ni O5 P -","- C9 H16 N Ni O5 P -","- C54 H96 N6 Ni6 O30 P6 -","6","1","","Liu, Xun-Gao; Bao, Song-Song; Huang, Jian; Otsubo, Kazuya; Feng, Jian-Shen; Ren, Min; Hu, Feng-Chun; Sun, Zhihu; Zheng, Li-Min; Wei, Shiqiang; Kitagawa, Hiroshi","Homochiral metal phosphonate nanotubes.","Chemical communications (Cambridge, England)","2015","51","82","15141","15144","10.1039/c5cc05647k","","","0.71073","MoKα","","0.094","0.0487","","","0.0632","0.0736","","","","","","0.939","","","","has coordinates","160600","2020-10-21","18:00:00",""
"7118505","21.4013","0.0008","21.4013","0.0008","7.1696","0.0005","90","","90","","120","","2843.8","0.2","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C1.33 H9.77 Al B5 N1.33 O10.88 -","- C1.33333 H9 Al B5 N1.33333 O10.8833 -","- C8 H54 Al6 B30 N8 O65.3 -","6","1","","Cao, Gao-Juan; Wei, Qi; Cheng, Jian-Wen; Cheng, Lin; Yang, Guo-Yu","A zeolite CAN-type aluminoborate with gigantic 24-ring channels.","Chemical communications (Cambridge, England)","2016","52","8","1729","1732","10.1039/c5cc08164e","","","0.71073","MoKα","","0.0571","0.0532","","","0.1626","0.1664","","","","","","1.087","","","","has coordinates,has disorder","174638","2020-10-21","18:00:00",""
"7118830","40.6845","0.0016","40.6845","0.0016","34.133","0.003","90","","90","","120","","48929","5","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- C192 H240 B6.25 F25 Fe4 N38 -","- C192 H240 B6.25 F25 Fe4 N36 -","- C1536 H1920 B50 F200 Fe32 N288 -","8","1.33333","","Zhang, Feng-Li; Chen, Jia-Qian; Qin, Long-Fang; Tian, Lei; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo","Metal-center exchange of tetrahedral cages: single crystal to single crystal and spin-crossover properties.","Chemical communications (Cambridge, England)","2016","52","26","4796","4799","10.1039/c6cc00711b","","","0.71073","MoKα","","0.1977","0.1209","","","0.302","0.3466","","","","","","1.061","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7119024","29.44","0.005","29.44","0.005","11.679","0.002","90","","90","","120","","8766","3","93","2","93","2","","","","","","","","5","P 63","P 6c","173","","","","- C61.4 H43.6 Cl4 N2 O6.2 -","- C61.4 H43.6 Cl4 N2 O6.2 -","- C368.4 H261.6 Cl24 N12 O37.2 -","6","1","","Midori Nagamoto; Daisuke Yamauchi; Takahiro Nishimura","Iridium-catalyzed asymmetric [3+2] annulation of aromatic ketimines with alkynes via C-H activation: unexpected inversion of the enantioselectivity induced by protic acids","Chem.Commun.","2016","52","","5876","","","","","1.54187","CuKα","","0.0755","0.0668","","","0.1842","0.189","","","","","","1.097","","","","has coordinates","183312","2020-10-21","18:00:00",""
"7122954","18.3354","0.0004","18.3354","0.0004","6.1492","0.0003","90","","90","","120","","1790.32","0.1","123","2","123","2","","","","","","","","6","P 63","P 6c","173","","","","- C9 H16 Fe N O5 P -","- C9 H16 Fe N O5 P -","- C54 H96 Fe6 N6 O30 P6 -","6","1","","Jia, Jia-Ge; Feng, Jian-Shen; Huang, Xin-Da; Bao, Song-Song; Zheng, Li-Min","Homochiral Iron(II)-based metal-organic nanotubes: metamagnetism and selective nitric oxide adsorption in confined channel","Chemical Communications","2019","","","","","10.1039/C9CC00506D","","","0.71073","MoKα","","0.0832","0.0635","","","0.1573","0.1699","","","","","","1.001","","","","has coordinates","213564","2020-10-21","18:00:00",""
"7122955","18.4179","0.0004","18.4179","0.0004","6.1607","0.0003","90","","90","","120","","1809.84","0.1","296","2","296","2","","","","","","","","6","P 63","P 6c","173","","","","- C9 H16 Fe N O5 P -","- C9 H16 Fe N O5 P -","- C54 H96 Fe6 N6 O30 P6 -","6","1","","Jia, Jia-Ge; Feng, Jian-Shen; Huang, Xin-Da; Bao, Song-Song; Zheng, Li-Min","Homochiral Iron(II)-based metal-organic nanotubes: metamagnetism and selective nitric oxide adsorption in confined channel","Chemical Communications","2019","","","","","10.1039/C9CC00506D","","","0.71073","MoKα","","0.0173","0.0168","","","0.0428","0.043","","","","","","1.001","","","","has coordinates","213564","2020-10-21","18:00:00",""
"7123192","9.5089","0.0003","9.5089","0.0003","14.673","0.0004","90","","90","","120","","1148.97","0.06","296","2","296","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H15 Cl O25 Y8 -","- C3 H15 Cl O25 Y8 -","- C6 H30 Cl2 O50 Y16 -","2","0.333333","","Zhang, Yiting; Long, Ying; Dong, Xuehua; Wang, Lei; Huang, Ling; Zeng, Hongmei; Lin, Zhien; Wang, Xin; Zou, Guohong","Y8O(OH)15(CO3)3Cl: An Excellent Short-Wave UV Nonlinear Optical Material Exhibiting Infrequent Three-Dimensional Inorganic Cationic Framework","Chemical Communications","2019","","","","","10.1039/C9CC00581A","","","0.71073","MoKα","","0.0886","0.0524","","","0.1056","0.1185","","","","","","1.039","","","","has coordinates","214314","2020-10-21","18:00:00",""
"7123736","19.4557","0.0004","19.4557","0.0004","7.0842","0.0002","90","","90","","120","","2322.28","0.09","200","1","200","1","","","","","","","","4","P 63","P 6c","173","","","","- C51 H54 N6 O9 -","- C51 H54 N6 O9 -","- C102 H108 N12 O18 -","2","0.333333","","Basuyaux, Gaëtan; Desmarchelier, Alaric; Gontard, Geoffrey; Vanthuyne, Nicolas; Moussa, Jamal; Amouri, Hani Haniel; Raynal, Matthieu; Bouteiller, Laurent","Extra hydrogen bonding interactions by peripheral indole groups stabilize benzene-1,3,5-tricarboxamide helical assemblies","Chemical Communications","2019","","","","","10.1039/C9CC03906F","","","1.54178","CuKα","","0.0349","0.0325","","","0.0849","0.0869","","","","","","1.042","","","","has coordinates","216599","2020-10-21","18:00:00",""
"7124713","14.5223","0.0019","14.5223","0.0019","10.2703","0.0012","90","","90","","120","","1875.8","0.4","110","2","110","2","","","","","","","","5","P 63","P 6c","173","","tris-(4-methylthiazolyl)cyclotriguaiacylene hydrate","","- C36 H41 N3 O10 S3 -","- C36 H33 N3 O10 S3 -","- C72 H66 N6 O20 S6 -","2","0.333333","","Fowler, Jonathan M.; Thorp-Greenwood, Flora L; Warriner, Stuart L.; Willans, Charlotte E.; Hardie, Michaele J.","M12L8 metallo-supramolecular cube with cyclotriguaiacylene-type ligand: spontaneous resolution of cube and its constituent host ligand.","Chemical communications (Cambridge, England)","2016","52","56","8699","8702","10.1039/c6cc04130b","","x-ray","1.54184","CuKα","","0.1323","0.0886","","","0.226","0.2598","","","","","","0.997","","","","has coordinates","234157","2020-10-21","18:00:00",""
"7127011","13.6945","0.0008","13.6945","0.0008","18.3276","0.0011","90","","90","","120","","2976.7","0.3","123","2","123","2","","","","","","","","7","P 63","P 6c","173","17092; (THF)3LiSnL","","","- C55 H92 Li N4 O4 P3 Sn -","- C54.9996 H91.9992 Li N4 O3.9999 P3 Sn -","- C109.999 H183.998 Li2 N8 O7.9998 P6 Sn2 -","2","0.333333","","Dorantes, Michael J.; Moore, James T.; Bill, Eckhard; Mienert, Bernd; Lu, Connie C.","Bimetallic iron-tin catalyst for N<sub>2</sub> to NH<sub>3</sub> and a silyldiazenido model intermediate.","Chemical communications (Cambridge, England)","2020","56","75","11030","11033","10.1039/d0cc04563b","","","0.71073","MoKα","","0.082","0.0537","","","0.1196","0.1326","","","","","","1.091","","","","has coordinates,has disorder","257260","2020-10-21","18:00:00",""
"7128362","20.45","0.002","20.45","0.002","5.9423","0.0005","90","","90","","120","","2152.1","0.3","100","","100","","","","","","","","","4","P 63","P 6c","173","","","","- C42.75 H51 N6 O0.75 -","- C42.75 H51 N6 O0.75 -","- C85.5 H102 N12 O1.5 -","2","0.333333","","He, Donglin; Clowes, Rob; Little, Marc A.; Liu, Ming; Cooper, Andrew I.","Creating porosity in a trianglimine macrocycle by heterochiral pairing.","Chemical communications (Cambridge, England)","2021","57","50","6141","6144","10.1039/d1cc01650d","","x-ray","0.71073","MoKα","","0.0757","0.0646","","","0.1554","0.1637","","","","","","1.078","","","","has coordinates,has disorder","267024","2021-07-05","16:18:52",""
"7129930","17.8884","0.0017","17.8884","0.0017","12.8853","0.0013","90","","90","","120","","3570.8","0.6","90","2","90","2","","","","","","","","8","P 63","P 6c","173","","","","- C41 H77 Ca Cu6 N6 O33 S6 V -","- C40.9998 H48 Ca Cu6 N6 O30.9996 S6 V0.9999 -","- C81.9996 H96 Ca2 Cu12 N12 O61.9992 S12 V1.9998 -","2","0.333333","","Negro, Cristina; Bilanin Artigado, Cristina; Qu, Xiaoni; Oliver-Meseguer, Judit; Ferrando-Soria, Jesús; Leyva-Perez, Antonio; Armentano, Donatella; Pardo, Emilio","Epoxidation vs. dehydrogenation of allylic alcohols: Heterogenization of the VO(acac)2 catalyst in a metal-organic framework","Chemical Communications","2022","","","","","10.1039/D2CC01137A","","","0.71073","MoKα","","0.1332","0.0775","","","0.2076","0.2493","","","","","","1.03","","","","has coordinates","274401","2022-04-06","21:53:14",""
"7131143","9.9868","0.0004","9.9868","0.0004","16.0438","0.0007","90","","90","","120","","1385.77","0.1","100","","100","","","","","","","","","8","P 63","P 6c","173","","","","- C18 H27 B2 Co F8 N12 P S -","- C18 H27 B2 Co F8 N12 P S -","- C36 H54 B4 Co2 F16 N24 P2 S2 -","2","0.333333","","Landart-Gereka, Aritz; Quesada-Moreno, María Mar; Palacios, María A; Díaz-Ortega, Ismael F; Nojiri, Hiroyuki; Ozerov, Mykhaylo; Krzystek, J.; Colacio, Enrique","Pushing up the easy-axis magnetic anisotropy and relaxation times in trigonal prismatic Co<sup>II</sup> mononuclear SMMs by molecular structure design.","Chemical communications (Cambridge, England)","2023","59","7","952","955","10.1039/d2cc06012d","","","0.71073","MoKα","","0.0239","0.0229","","","0.0569","0.0577","","","","","","1.005","","","","has coordinates,has disorder","283074","2023-05-05","00:21:12",""
"7131144","10.1198","0.0013","10.1198","0.0013","16.131","0.002","90","","90","","120","","1430.7","0.3","99.9","","99.9","","","","","","","","","8","P 63","P 6c","173","","","","- C18 H27 Cl2 Co N12 O8 P S -","- C18 H27 Cl2 Co N12 O8 P S -","- C36 H54 Cl4 Co2 N24 O16 P2 S2 -","2","0.333333","","Landart-Gereka, Aritz; Quesada-Moreno, María Mar; Palacios, María A; Díaz-Ortega, Ismael F; Nojiri, Hiroyuki; Ozerov, Mykhaylo; Krzystek, J.; Colacio, Enrique","Pushing up the easy-axis magnetic anisotropy and relaxation times in trigonal prismatic Co<sup>II</sup> mononuclear SMMs by molecular structure design.","Chemical communications (Cambridge, England)","2023","59","7","952","955","10.1039/d2cc06012d","","","0.71073","MoKα","","0.0381","0.0316","","","0.0806","0.0828","","","","","","1.041","","","","has coordinates,has disorder","283074","2023-05-05","00:21:23",""
"7131318","9.5194","0.0003","9.5194","0.0003","11.726","0.0008","90","","90","","120","","920.24","0.07","273","2","273","2","","","","","","","","5","P 63","P 6c","173","","","","- Cl2 Ge3 Li0 S9 Sr4 -","- Cl2 Ge3 S9 Sr4 -","- Cl4 Ge6 S18 Sr8 -","2","0.333333","","Song, Yufei; Qian, Zhen; Zhou, Boru; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Wu, Hongping","A non-centrosymmetric chalcohalide synthesized through the combination of chemical tailoring with aliovalent substitution.","Chemical communications (Cambridge, England)","2023","59","22","3309","3312","10.1039/d2cc07084g","","","0.71073","MoKα","","0.0862","0.0473","","","0.083","0.0951","","","","","","1.04","","","","has coordinates","282260","2023-04-04","09:39:28",""
"7132462","11.4469","0.0004","11.4469","0.0004","4.7028","0.0002","90","","90","","120","","533.66","0.03","150","","150","","","","","","","","","4","P 63","P 6c","173","","","","- C9 H15 F3 O3 -","- C9 H15 F3 O3 -","- C18 H30 F6 O6 -","2","0.333333","","Haridas, Shyamkumar V.; von Delius, Max","Synthesis and supramolecular properties of all-<i>cis</i>-2,4,6-trifluorocyclohexane-1,3,5-triol.","Chemical communications (Cambridge, England)","2024","60","5","606","609","10.1039/d3cc05510h","","x-ray","1.54184","CuKα","","0.0306","0.027","","","0.0697","0.0726","","","","","","1.105","","","","has coordinates","289339","2024-02-04","11:08:00",""
"7150409","11.9328","0.0002","11.9328","0.0002","20.0477","0.0005","90","","90","","120","","2472.18","0.09","120","2","120","2","","","","","","","","5","P 63","P 6c","173","","","","- C47 H42 F18 N7 P3 -","- C46.99 H39 F18 N6.99 P3 -","- C93.98 H78 F36 N13.98 P6 -","2","0.333333","","Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.","Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.","Organic & biomolecular chemistry","2006","4","5","781","786","10.1039/b516027h","","","0.71073","MoKα","","0.0479","0.0396","","","0.0949","0.0993","","","","","","1.068","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150820","14.3428","0.0007","14.3428","0.0007","8.9246","0.0004","90","","90","","120","","1589.96","0.13","150","2","150","2","","","","","","","","3","P 63","P 6c","173","","","","- C11 H16 O4 -","- C11 H16 O4 -","- C66 H96 O24 -","6","1","","Burton, Jonathan W.; Anderson, Edward A.; O'Sullivan, Paul T.; Collins, Ian; Davies, John E.; Bond, Andrew D.; Feeder, Neil; Holmes, Andrew B.","The Claisen rearrangement approach to fused bicyclic medium-ring oxacycles","Organic & Biomolecular Chemistry","2008","6","4","693","702","10.1039/b715354f","","","0.6884","Synchrotron","","0.0345","0.0325","","","0.0869","0.0875","","","","","","1.191","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150878","21.127","0.005","21.127","0.005","7.5223","0.0015","90","","90","","120","","2907.7","1.1","200","","200","","","","","","","","","4","P 63","P 6c","173","","","","- C18 H28 N2 O3 -","- C18 H28 N2 O3 -","- C108 H168 N12 O18 -","6","1","","Matsuhira, Takashi; Yamamoto, Hitoshi; Okamura, Taka-aki; Ueyama, Norikazu","Manipulation of an intramolecular NH⋯O hydrogen bond by photoswitching between stable E/Z isomers of the cinnamate framework","Organic & Biomolecular Chemistry","2008","6","11","1926","1933","10.1039/b719960k","","","0.71075","MoKα","","0.0538","0.0408","","","0.0928","0.0982","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200897","9.5049","0.0003","9.5049","0.0003","6.9484","0.0006","90","","90","","120","","543.64","0.05","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- Bi2.5 F0.1 H0.9 Na2.5 O12.9 P3 -","- Bi2.502 F0.1 Na2.498 O12.9 P3 -","- Bi5.004 F0.2 Na4.996 O25.8 P6 -","2","0.333333","","Zhou, Yan; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao","Single-crystal microtubes of a novel apatite-type compound, (Na2.5Bi2.5)(PO4)3(F,OH), with well-faceted hexagonal cross sections","CrystEngComm","2009","11","9","1863","","10.1039/b900499h","","","0.71073","MoKα","","0.1073","0.0646","","","0.1065","0.1147","","","","","","1.145","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201779","9.41","0.002","9.41","0.002","17.809","0.004","90","","90","","120","","1365.7","0.5","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C26 H41 Cr Mn N3 O14 -","- C17.88 H26.73 Cr Mn N O12 -","- C35.76 H53.46 Cr2 Mn2 N2 O24 -","2","0.333333","","Coronado, Eugenio; Giménez-Saiz, Carlos; Gómez-García, Carlos J.; Romero, Francisco M.; Tarazón, Ana","Layered ferromagnets hosting tetraalkylammonium-substituted nitronyl nitroxide free radicals","Journal of Materials Chemistry","2008","18","8","929","","10.1039/b715739h","","","0.71073","MoKα","","0.2","0.0967","","","0.2294","0.279","","","","","","1.051","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7202508","9.541","0.001","9.541","0.001","5.266","0.001","90","","90","","120","","415.14","0.1","293","2","293","2","","","","","","","synthesis as described","3","P 63","P 6c","173","alpha indium iodate","","","- I3 In O9 -","- I3 In O9 -","- I6 In2 O18 -","2","0.333333","","Phanon, Delphine; Mosset, Alain; Gautier-Luneau, Isabelle","New materials for infrared non-linear optics. Syntheses, structural characterisations, second harmonic generation and optical transparency of M(IO3)3 metallic iodates","Journal of Materials Chemistry","2007","17","11","1123","","10.1039/b612677d","","x-ray","0.56085","AgKa","","0.0275","0.0226","","","0.038","0.0391","","","","","","1.129","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202572","9.725","","9.725","","7.189","","90","","90","","120","","588.814","","","","300","","","","","","","","","3","P 63","P 6c","173","apatite","","","- La8.898 O25.96 Si6 -","- La8.898 O25.9602 Si6 -","- La8.898 O25.9602 Si6 -","1","0.166667","","Beaudet-Savignat, S.; Vincent, A.; Lambert, S.; Gervais, F.","Oxide ion conduction in Ba, Ca and Sr doped apatite-type lanthanum silicates","Journal of Materials Chemistry","2007","17","20","2078","","10.1039/b615104c","powder diffraction","neutron","1.2244","neutron","","0.0179","0.0281","","","0.0283","0.0228","","","","","","","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202573","9.74","","9.74","","7.267","","90","","90","","120","","597.04","","","","","","","","","","","","","4","P 63","P 6c","173","Ba doped apatite","","","- Ba1.076 La8.924 O25.869 Si6 -","- La10 O25.87 Si6 -","- La10 O25.87 Si6 -","1","0.166667","","Beaudet-Savignat, S.; Vincent, A.; Lambert, S.; Gervais, F.","Oxide ion conduction in Ba, Ca and Sr doped apatite-type lanthanum silicates","Journal of Materials Chemistry","2007","17","20","2078","","10.1039/b615104c","powder diffraction","neutron","1.2244","neutron","","0.0173","0.0161","","","0.0138","0.0225","","","","","","","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202574","9.705","","9.705","","7.215","","90","","90","","120","","588.516","","","","","","","","","","","","","4","P 63","P 6c","173","Sr doped apatite","","","- La8.898 O25.886 Si6 Sr -","- La9.9 O25.886 Si6 -","- La9.9 O25.886 Si6 -","1","0.166667","","Beaudet-Savignat, S.; Vincent, A.; Lambert, S.; Gervais, F.","Oxide ion conduction in Ba, Ca and Sr doped apatite-type lanthanum silicates","Journal of Materials Chemistry","2007","17","20","2078","","10.1039/b615104c","powder diffraction","neutron","1.2244","neutron","","0.0173","0.0182","","","0.017","0.0218","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202575","9.68","","9.68","","7.161","","90","","90","","120","","581.106","","","","","","","","","","","","","4","P 63","P 6c","173","Ca doped apatite","","","- Ca1.258 La8.742 O25.879 Si6 -","- La10 O25.878 Si6 -","- La10 O25.878 Si6 -","1","0.166667","","Beaudet-Savignat, S.; Vincent, A.; Lambert, S.; Gervais, F.","Oxide ion conduction in Ba, Ca and Sr doped apatite-type lanthanum silicates","Journal of Materials Chemistry","2007","17","20","2078","","10.1039/b615104c","powder diffraction","neutron","1.2244","neutron","","0.0175","0.0133","","","0.0141","0.0226","","","","","","","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7203310","17.249","0.0009","17.249","0.0009","12.0227","0.0012","90","","90","","120","","3097.9","0.4","298","2","298","2","","","","","","","","5","P 63","P 6c","173","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine","","- C18 H9 Cl3 N6 O3 -","- C18 H9 Cl3 N6 O3 -","- C108 H54 Cl18 N36 O18 -","6","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.085","0.0663","","","0.1769","0.191","","","","","","1.036","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203794","9.1213","0.0006","9.1213","0.0006","7.1103","0.0009","90","","90","","120","","512.31","0.08","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H15 N6 P S -","- C3 H15 N6 P S -","- C6 H30 N12 P2 S2 -","2","0.333333","","Chandrasekhar, Vadapalli; Azhakar, Ramachandran","A tubular architecture in a phosphorus based trihydrazide, {P(S)[N(CH3)NH2]3}","CrystEngComm","2005","7","56","346","","10.1039/b504753f","","","0.71073","MoKα","","0.0215","0.0213","","","0.0554","0.0555","","","","","","1.074","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7207235","14.384","0.005","14.384","0.005","15.215","0.005","90","0.005","90","0.005","120","0.005","2726.2","1.6","98","2","98","2","","","","","","","","7","P 63","P 6c","173","","","","- C34 H42 B4 Cu4 F16 N12 O6 -","- C34 H42 B4 Cu4 F16 N12 O6 -","- C68 H84 B8 Cu8 F32 N24 O12 -","2","0.333333","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents","CrystEngComm","2012","14","4","1345","","10.1039/c1ce06328f","","","0.71069","MoKα","","0.0703","0.0685","","","0.1917","0.1941","","","","","","1.074","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7216066","13.5662","0.0007","13.5662","0.0007","20.1867","0.0011","90","","90","","120","","3217.5","0.3","293","2","293","2","","","","","","","","9","P 63","P 6c","173","","","","- C48 H44 B Cu6 F4 I5 N12 O S6 -","- C48 H42 B Cu6 F4 I5 N12 O S6 -","- C96 H84 B2 Cu12 F8 I10 N24 O2 S12 -","2","0.333333","","Peng, Rong; Wu, Tao; Li, Dan","A chiral coordination polymer containing copper(i) iodide layer composed of intersecting [CuI]n helices","CrystEngComm","2005","7","97","595","","10.1039/b511708a","","","0.70173","MoKα","","0.0375","0.0335","","","0.0915","0.1001","","","","","","1.143","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216096","15.393","0.004","15.393","0.004","6.6615","0.0014","90","","90","","120","","1366.9","0.6","153","2","153","2","","","","","","","","4","P 63","P 6c","173","","","","- C30 H24 N6 O6 -","- C24 H12 N6 O3 -","- C48 H24 N12 O6 -","2","0.333333","","Süss, Heike I.; Neels, Antonia; Hulliger, J.","2,4,6-Tris(4-cyanophenoxy)-1,3,5-triazine (CNPOT): Trigonal synthons in crystal engineering","CrystEngComm","2005","7","61","370","","10.1039/b507301d","","","0.71073","MoKα","","0.1142","0.0963","","","0.259","0.2771","","","","","","1.09","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7218067","12.5946","0.0003","12.5946","0.0003","8.2087","0.0003","90","","90","","120","","1127.65","0.06","120","2","120","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 N O6 Zn -","- C3 H7 N O6 Zn -","- C18 H42 N6 O36 Zn6 -","6","1","","Zhang, Zhiying; Li, Wei; Carpenter, Michael A.; Howard, Christopher J.; Cheetham, Anthony K.","Elastic properties and acoustic dissipation associated with a disorder‒order ferroelectric transition in a metal‒organic framework","CrystEngComm","2015","17","2","370","","10.1039/C4CE01386G","","","0.71073","MoKα","","0.0324","0.0276","","","0.0845","0.0921","","","","","","1.087","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7220709","10.7186","0.0003","10.7186","0.0003","6.0797","0.0003","90","","90","","120","","604.91","0.04","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Fe0.5 Ge La3 Se7 -","- Fe0.504 Ge La3 Se7 -","- Fe1.008 Ge2 La6 Se14 -","2","0.333333","","He, Jianqiao; Wang, Zhe; Zhang, Xian; Cheng, Ye; Gong, Yu; Lai, Xiaofang; Chong, Zheng; Lin, Jianhua; Huang, Fu Qiang","Synthesis, Structure, Magnetic and Photoelectric Properties of Ln3M0.5M’Se7 (Ln= La, Ce, Sm; M= Fe, Mn; M’= Si, Ge) and La3MnGaSe7","RSC Adv.","2015","","","","","10.1039/C5RA05629B","","","0.71073","MoKα","","0.046","0.0454","","","0.0947","0.0951","","","","","","1.026","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220710","10.5894","0.0003","10.5894","0.0003","6.3458","0.0003","90","","90","","120","","616.25","0.04","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Ga La3 Mn Se7 -","- Ga La3 Mn Se7 -","- Ga2 La6 Mn2 Se14 -","2","0.333333","","He, Jianqiao; Wang, Zhe; Zhang, Xian; Cheng, Ye; Gong, Yu; Lai, Xiaofang; Chong, Zheng; Lin, Jianhua; Huang, Fu Qiang","Synthesis, Structure, Magnetic and Photoelectric Properties of Ln3M0.5M’Se7 (Ln= La, Ce, Sm; M= Fe, Mn; M’= Si, Ge) and La3MnGaSe7","RSC Adv.","2015","","","","","10.1039/C5RA05629B","","","0.71073","MoKα","","0.0255","0.024","","","0.059","0.0594","","","","","","1.124","","","","has coordinates","138985","2020-10-21","18:00:00",""
"7220711","10.638","0.0003","10.638","0.0003","6.0079","0.0003","90","","90","","120","","588.81","0.04","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Ce3 Fe0.5 Se7 Si -","- Ce3 Fe0.5 Se7 Si -","- Ce6 Fe Se14 Si2 -","2","0.333333","","He, Jianqiao; Wang, Zhe; Zhang, Xian; Cheng, Ye; Gong, Yu; Lai, Xiaofang; Chong, Zheng; Lin, Jianhua; Huang, Fu Qiang","Synthesis, Structure, Magnetic and Photoelectric Properties of Ln3M0.5M’Se7 (Ln= La, Ce, Sm; M= Fe, Mn; M’= Si, Ge) and La3MnGaSe7","RSC Adv.","2015","","","","","10.1039/C5RA05629B","","","0.71073","MoKα","","0.0346","0.0337","","","0.0755","0.076","","","","","","1.101","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220712","10.6684","0.0002","10.6684","0.0002","6.0127","0.0002","90","","90","","120","","592.65","0.03","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Ce3 Mn0.5 Se7 Si -","- Ce3 Mn0.5 Se7 Si -","- Ce6 Mn Se14 Si2 -","2","0.333333","","He, Jianqiao; Wang, Zhe; Zhang, Xian; Cheng, Ye; Gong, Yu; Lai, Xiaofang; Chong, Zheng; Lin, Jianhua; Huang, Fu Qiang","Synthesis, Structure, Magnetic and Photoelectric Properties of Ln3M0.5M’Se7 (Ln= La, Ce, Sm; M= Fe, Mn; M’= Si, Ge) and La3MnGaSe7","RSC Adv.","2015","","","","","10.1039/C5RA05629B","","","0.71073","MoKα","","0.0285","0.026","","","0.0607","0.0615","","","","","","1.093","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220713","10.4075","0.0004","10.4075","0.0004","5.9566","0.0004","90","","90","","120","","558.76","0.05","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Fe0.5 Se7 Si Sm3 -","- Fe0.5 Se7 Si Sm3 -","- Fe Se14 Si2 Sm6 -","2","0.333333","","He, Jianqiao; Wang, Zhe; Zhang, Xian; Cheng, Ye; Gong, Yu; Lai, Xiaofang; Chong, Zheng; Lin, Jianhua; Huang, Fu Qiang","Synthesis, Structure, Magnetic and Photoelectric Properties of Ln3M0.5M’Se7 (Ln= La, Ce, Sm; M= Fe, Mn; M’= Si, Ge) and La3MnGaSe7","RSC Adv.","2015","","","","","10.1039/C5RA05629B","","","0.71073","MoKα","","0.049","0.0442","","","0.0869","0.0899","","","","","","1.006","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220714","10.3958","0.0008","10.3958","0.0008","6.0175","0.0007","90","","90","","120","","563.2","0.09","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Ge Mn0.5 Se7 Sm3 -","- Ge Mn0.5 Se7 Sm3 -","- Ge2 Mn Se14 Sm6 -","2","0.333333","","He, Jianqiao; Wang, Zhe; Zhang, Xian; Cheng, Ye; Gong, Yu; Lai, Xiaofang; Chong, Zheng; Lin, Jianhua; Huang, Fu Qiang","Synthesis, Structure, Magnetic and Photoelectric Properties of Ln3M0.5M’Se7 (Ln= La, Ce, Sm; M= Fe, Mn; M’= Si, Ge) and La3MnGaSe7","RSC Adv.","2015","","","","","10.1039/C5RA05629B","","","0.71073","MoKα","","0.0685","0.0649","","","0.1432","0.1461","","","","","","1.008","","","","has coordinates","138985","2020-10-21","18:00:00",""
"7223475","11.0381","0.0002","11.0381","0.0002","13.102","0.0003","90","","90","","120","","1382.47","0.05","100","0.2","100","0.2","","","","","","","","6","P 63","P 6c","173","Copper NOTI-Me complex tetrafluoroborate","","","- C21 H33 B2 Cu F8 N9 -","- C21 H33 B2 Cu F8 N9 -","- C42 H66 B4 Cu2 F16 N18 -","2","0.333333","","Gotzmann, Carla; Braun, Friederike; Bartholomä, Mark D","Synthesis,64Cu-labeling and PET imaging of 1,4,7-triazacyclononane derived chelators with pendant azaheterocyclic arms","RSC Adv.","2015","","","","","10.1039/C5RA21131J","","x-ray","0.71073","MoKα","","0.0651","0.0618","","","0.1686","0.1713","","","","","","1.085","","","","has coordinates,has disorder","171533","2020-10-21","18:00:00",""
"7224613","27.5538","0.0005","27.5538","0.0005","22.0582","0.0005","90","","90","","120","","14503.2","0.5","296","2","296","2","","","","","","","","8","P 63","P 6c","173","","","","- C36 H176 N9 Na9 O223 Se6 Sn6 W54 -","- C36 N9 Na3 O222 Se6 Sn6 W54 -","- C72 N18 Na6 O444 Se12 Sn12 W108 -","2","0.333333","","Chen, Wei-Chao; Qin, Chao; Wang, Xin-Long; Wu, Cai-Xia; Li, Yang-Guang; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo","Trimeric hexa-dimethyltin-functionalized selenotungstate [{Sn(CH3)2(CH3COO)}3{Sn(CH3)2}3{Se2W18O62(OH)(H2O)}3]18−","CrystEngComm","2016","18","16","2820","","10.1039/C6CE00377J","","","0.71073","MoKα","","0.0426","0.0365","","","0.0877","0.0904","","","","","","1.016","","","","has coordinates","182651","2020-10-21","18:00:00",""
"7226302","12.8975","0.0004","12.8975","0.0004","5.218","0.0002","90","","90","","120","","751.7","0.04","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- Ag3 F O15 Se4 Ti3 -","- Ag3 F O15 Se4 Ti3 -","- Ag6 F2 O30 Se8 Ti6 -","2","0.333333","","Qian, Cheng; Kong, Fang; Mao, Jianggao","A Series of New Silver Selenites with d0-TM Cations","RSC Adv.","2016","","","","","10.1039/C6RA17867G","","","0.71073","MoKα","","0.0367","0.036","","","0.0999","0.1005","","","","","","1.078","","","","has coordinates","185892","2020-10-21","18:00:00",""
"7227107","7.946","0.003","7.946","0.003","7.618","0.003","90","","90","","120","","416.6","0.3","360","2","360","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H8 Fe N2 O6 -","- C3 H7.9995 Fe N1.9998 O6 -","- C6 H15.999 Fe2 N3.9996 O12 -","2","0.333333","","Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).","Physical chemistry chemical physics : PCCP","2016","18","46","31653","31663","10.1039/c6cp06648h","","","0.71073","MoKα","","0.0409","0.0295","","","0.0595","0.0628","","","","","","1.053","","","","has coordinates","190280","2020-10-21","18:00:00",""
"7227108","7.988","0.003","7.988","0.003","7.807","0.003","90","","90","","120","","431.4","0.3","310","2","310","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H8 Mn N2 O6 -","- C3 H7.9995 Mn N1.9998 O6 -","- C6 H15.999 Mn2 N3.9996 O12 -","2","0.333333","","Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).","Physical chemistry chemical physics : PCCP","2016","18","46","31653","31663","10.1039/c6cp06648h","","","0.71073","MoKα","","0.0185","0.0171","","","0.0415","0.0419","","","","","","1.096","","","","has coordinates","190280","2020-10-21","18:00:00",""
"7227711","26.744","0.004","26.744","0.004","4.997","0.0001","90","","90","","120","","3095.2","0.7","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C24 H20.67 Br N O4.33 -","- C24 H20 Br N O4.3333 -","- C144 H120 Br6 N6 O25.9998 -","6","1","","Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.","Halogen bonding modulates hydrogel formation from Fmoc amino acids","CrystEngComm","2017","19","14","1870","","10.1039/C7CE00031F","","","0.7","Synchrotron","","0.1208","0.0691","","","0.1693","0.2006","","","","","","1.065","","","","has coordinates,has disorder","195037","2020-10-21","18:00:00",""
"7227714","26.878","0.004","26.878","0.004","4.999","0.001","90","","90","","120","","3127.6","0.9","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C24 H20.67 I N O4.33 -","- C24 H20 I N O4.3333 -","- C144 H120 I6 N6 O25.9998 -","6","1","","Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.","Halogen bonding modulates hydrogel formation from Fmoc amino acids","CrystEngComm","2017","19","14","1870","","10.1039/C7CE00031F","","","0.7","Synchrotron","","0.1424","0.0733","","","0.1554","0.1896","","","","","","1.014","","","","has coordinates,has disorder","195037","2020-10-21","18:00:00",""
"7229595","11.18241","0.00011","11.18241","0.00011","7.2372","0.00008","90","","90","","120","","783.74","0.014","293","2","293","2","","","","","","","","4","P 63","P 6c","173","Barium Fluoride Borate","","","- B3.51 Ba7 F3.47 O10.53 -","- B3.51 Ba6.991 F3.461 O10.53 -","- B7.02 Ba13.982 F6.922 O21.06 -","2","0.333333","","Bekker, T. B.; Rashchenko, S. V.; Bakakin, V. V.; Seryotkin, Yu. V.; Fedorov, P. P.; Kokh, A. E.; Stonoga, S. Yu.","Phase formation in the BaB2O4‒BaF2‒BaO system and new non-centrosymmetric solid-solution series Ba7(BO3)4−xF2+3x","CrystEngComm","2012","14","20","6910","","10.1039/c2ce26122g","","x-ray","0.71073","MoKα","","0.0258","0.0251","","","0.0545","0.0548","","","","","","1.084","","","","has coordinates","203288","2020-10-21","18:00:00",""
"7233735","9.7653","0.0002","9.7653","0.0002","12.0581","0.0003","90","","90","","120","","995.82","0.04","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- Ba4 Cl Ge3 Na S10 -","- Ba4 Cl Ge3 Na S10 -","- Ba8 Cl2 Ge6 Na2 S20 -","2","0.333333","","Kai Feng; Lei Kang; Zheshuai Lin; Jiyong Yao; Yicheng Wu","Noncentrosymmetric chalcohalide NaBa4Ge3S10Cl with large band gap and IR NLO response","Journal of Materials Chemistry C","2014","2","","4590","4596","10.1039/C4TC00060A","","","0.71073","MoKα","","0.0456","0.0424","","","0.1189","0.1245","","","","","","0.948","","","","has coordinates","218123","2020-10-21","18:00:00",""
"7236547","17.783","0.003","17.783","0.003","12.889","0.002","90","","90","","120","","3529.9","1","90","2","90","2","","","","","","","","6","P 63","P 6c","173","","","","- C36 H78 Ca Cu6 N6 O34 -","- C36 H48 Ca Cu6 N6 O34 -","- C72 H96 Ca2 Cu12 N12 O68 -","2","0.333333","","Grancha, Thais; Mon, Marta; Ferrando-Soria, Jesús; Gascon, Jorge; Seoane, Beatriz; Ramos-Fernandez, Enrique V.; Armentano, Donatella; Pardo, Emilio","Tuning the selectivity of light hydrocarbons in natural gas in a family of isoreticular MOFs","Journal of Materials Chemistry A","2017","5","22","11032","","10.1039/C7TA01179B","","","0.71073","MoKα","","0.2383","0.096","","","0.229","0.3194","","","","","","1.008","","","","has coordinates","236298","2020-10-21","18:00:00",""
"7236548","17.603","0.006","17.603","0.006","13.045","0.004","90","","90","","120","","3501","2","90","2","90","2","","","","","","","","6","P 63","P 6c","173","","","","- C42 H86 Ca Cu6 N6 O32 -","- C40 H53.9997 Ca Cu6 N6 O28 -","- C80 H107.999 Ca2 Cu12 N12 O56 -","2","0.333333","","Grancha, Thais; Mon, Marta; Ferrando-Soria, Jesús; Gascon, Jorge; Seoane, Beatriz; Ramos-Fernandez, Enrique V.; Armentano, Donatella; Pardo, Emilio","Tuning the selectivity of light hydrocarbons in natural gas in a family of isoreticular MOFs","Journal of Materials Chemistry A","2017","5","22","11032","","10.1039/C7TA01179B","","","0.71073","MoKα","","0.1175","0.071","","","0.181","0.2043","","","","","","0.959","","","","has coordinates","236298","2020-10-21","18:00:00",""
"7239516","15.6464","0.0004","15.6464","0.0004","19.7878","0.0015","90","","90","","120","","4195.2","0.4","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- C54 H60 N18 O42 P10 Zn9 -","- C54 H52 N18 O42 P10 Zn9 -","- C108 H104 N36 O84 P20 Zn18 -","2","0.333333","","Zhang, Jie; Yao, Zhenguo; Liao, Shijun; Dai, Jingcao; Fu, Zhiyong","A hybrid metal phosphate‒phosphite material grafted with electron deficient organic components showing interesting fluorescent and photosensitive properties","Journal of Materials Chemistry A","2013","1","16","4945","","10.1039/c3ta10478h","","","1.54178","CuKα","","0.0997","0.0951","","","0.2637","0.2727","","","","","","1.06","","","","has coordinates","244741","2020-10-21","18:00:00",""
"7242250","10.1788","0.0003","10.1788","0.0003","6.0633","0.0002","90","","90","","120","","544.04","0.03","300","2","300","2","","","","","","","","5","P 63","P 6c","173","","","","- Cd0.19 Cl0.61 Ga0.5 La1.5 S2.89 -","- Cd0.1865 Cl0.5175 Ga0.5002 La1.5 S2.9825 -","- Cd0.746 Cl2.07 Ga2.0008 La6 S11.93 -","4","0.666667","","Lin, Feng; Luo, Mengjia; Wang, Ruiqi; Che, Xiangli; Huang, Fuqiang","La6Cd0.75Ga2Q11.5Cl2.5 (Q = S and Se): two new nonlinear optical chalcohalides with a large laser-induced damage threshold","CrystEngComm","2021","23","10","2133","2137","10.1039/D0CE01852J","","","0.71073","MoKα","","0.0182","0.0165","","","0.0348","0.0352","","","","","","1.122","","","","has coordinates,has disorder","265937","2021-06-05","18:06:28",""
"7245901","15.25","0.002","15.25","0.002","6.8149","0.0014","90","","90","","120","","1372.6","0.4","150","2","150","2","","","","","","","","6","P 63","P 6c","173","","2,4,6-tris-(4-chlorophenoxy)-1,3,5-triazine tribromobenzene","","- C27 H15 Br3 Cl3 N3 O3 -","- C27 H15 Br3 Cl3 N3 O3 -","- C54 H30 Br6 Cl6 N6 O6 -","2","0.333333","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","","0.71073","MoKα","","0.0328","0.0267","","","0.0623","0.0642","","","","","","1.037","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7247568","19.794","0.0002","19.794","0.0002","9.0285","0.0001","90","","90","","120","","3063.47","0.06","155","7","155","7","","","","","","","","6","P 63","P 6c","173","","MHOF-PO4-2","","- C45 H63 Cu3 N6 O16 P -","- C45 H63 Cu3 N6 O16 P -","- C90 H126 Cu6 N12 O32 P2 -","2","0.333333","","Zhou, Mi; Wang, Yujiang; Yuan, Guoyuan; Ju, Zhanfeng; Yuan, Daqiang","Synthesis and characterization of two metallo-hydrogen-bonded organic frameworks with diverse structures and properties","CrystEngComm","2023","25","44","6132","6136","10.1039/D3CE00917C","","","1.54184","CuKα","","0.0203","0.0199","","","0.0536","0.0541","","","","","","1.084","","","","has coordinates","288776","2024-01-06","07:54:28",""
"7701871","8.9323","0.0004","8.9323","0.0004","13.2617","0.0007","90","","90","","120","","916.34","0.08","193","2","193","2","","","","","","","","8","P 63","P 6c","173","","","","- C9 H20 Cl Fe N3 O10 P3 Zn2 -","- C9 H19.9998 Cl Fe N3 O10 P3 Zn2 -","- C18 H39.9996 Cl2 Fe2 N6 O20 P6 Zn4 -","2","0.333333","","Liu, Sheng-Bo; Bao, Song-Song; Zheng, Li-Min","Polar layered coordination polymers incorporating triazacyclononane-triphosphonate metalloligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3758","3765","10.1039/c9dt03858b","","","0.71073","MoKα","","0.03","0.0284","","","0.0679","0.0688","","","","","","1.008","","","","has coordinates","250323","2020-10-21","18:00:00",""
"7702539","18.392","0.004","18.392","0.004","19.655","0.005","90","","90","","120","","5758","2","301","2","301","2","","","","","","","","4","P 63","P 6c","173","","","","- C37 H55 N3 Si3 -","- C37 H55 N3 Si3 -","- C222 H330 N18 Si18 -","6","1","","Renner, Patrick; Galka, Christian H.; Gade, Lutz H.; Radojevic, Sanja; McPartlin, Mary","Synthesis and structural characterization of a novel C3-chiral triamine and its trilithium triamide","Journal of the Chemical Society, Dalton Transactions","2001","","7","964","","10.1039/b100719j","","","0.71073","MoKα","","0.2069","0.0576","","","0.0809","0.1127","","","","","","0.884","","","","has coordinates,has disorder","243900","2020-10-21","18:00:00",""
"7704916","15.8563","0.0005","15.8563","0.0005","6.565","0.0002","90","","90","","120","","1429.45","0.08","293","2","293","2","","","","","","","","7","P 63","P 6c","173","","","","- C6 H5 Cl Cu N O2 S -","- C6 H5 Cl1.001 Cu N O2 S -","- C36 H30 Cl6.006 Cu6 N6 O12 S6 -","6","1","","Hassanein, Khaled; Cappuccino, Chiara; Amo-Ochoa, Pilar; López-Molina, Jesús; Maini, Lucia; Bandini, Elisa; Ventura, Barbara","Multifunctional coordination polymers based on copper(i) and mercaptonicotinic ligands: synthesis, and structural, optical and electrical characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10545","10553","10.1039/d0dt01127d","","x-ray","0.71073","MoKα","","0.0769","0.0534","","","0.1165","0.1276","","","","","","1.053","","","","has coordinates,has disorder","257534","2020-10-21","18:00:00",""
"7704917","15.8563","0.0005","15.8563","0.0005","6.565","0.0002","90","","90","","120","","1429.45","0.08","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C6 H5 Cl Cu N O2 S -","- C6 H5 Cl1.002 Cu N O2 S -","- C36 H30 Cl6.012 Cu6 N6 O12 S6 -","6","1","","Hassanein, Khaled; Cappuccino, Chiara; Amo-Ochoa, Pilar; López-Molina, Jesús; Maini, Lucia; Bandini, Elisa; Ventura, Barbara","Multifunctional coordination polymers based on copper(i) and mercaptonicotinic ligands: synthesis, and structural, optical and electrical characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10545","10553","10.1039/d0dt01127d","","x-ray","0.71073","MoKα","","0.0582","0.0434","","","0.1044","0.1113","","","","","","1.057","","","","has coordinates,has disorder","257534","2020-10-21","18:00:00",""
"7708715","15.8388","0.0008","15.8388","0.0008","46.513","0.004","90","","90","","120","","10105.3","1.1","213.15","","213.15","","","","","","","","","5","P 63","P 6c","173","","","","- C52 H48.75 Fe I3 P2.25 -","- C52 H48.7497 Fe I3 P2.25 -","- C416 H389.998 Fe8 I24 P18 -","8","1.33333","","Reiß, Andreas; Donsbach, Carsten; Feldmann, Claus","Insights into the naphthalenide-driven synthesis and reactivity of zerovalent iron nanoparticles","Dalton Transactions","2021","","","","","10.1039/D1DT02523F","","","0.71073","MoKα","","0.1017","0.0369","","","0.0661","0.0758","","","","","","0.714","","","","has coordinates,has disorder","270316","2021-11-05","00:05:15",""
"7709027","19.5869","0.0003","19.5869","0.0003","19.0349","0.0006","90","","90","","120","","6324.3","0.2","280","1","280","1","","","","","","","","7","P 63","P 6c","173","","","","- C26 H36 F6 Fe N18 O6 S2 -","- C26 H36 F6 Fe N18 O6 S2 -","- C156 H216 F36 Fe6 N108 O36 S12 -","6","1","","Bronisz, Robert; Książek, Maria; Kusz, Joachim; Weselski, Marek Damian","Single crystal-to-single crystal transformation – from two distinct to three distinct spin crossover centers in 2D coordination polymer [Fe(bbtr)3](CF3SO3)2","Dalton Transactions","2021","","","","","10.1039/D1DT03578A","","","1.54184","CuKα","","0.1691","0.1022","","","0.2455","0.2975","","","","","","1.262","","","","has coordinates,has disorder","271146","2021-12-07","00:02:04",""
"7709029","19.0423","0.0001","19.0423","0.0001","19.1734","0.0002","90","","90","","120","","6021","0.08","100","1","100","1","","","","","","","","7","P 63","P 6c","173","","","","- C26 H36 F6 Fe N18 O6 S2 -","- C26 H36 F6 Fe N18 O6 S2 -","- C156 H216 F36 Fe6 N108 O36 S12 -","6","1","","Bronisz, Robert; Książek, Maria; Kusz, Joachim; Weselski, Marek Damian","Single crystal-to-single crystal transformation – from two distinct to three distinct spin crossover centers in 2D coordination polymer [Fe(bbtr)3](CF3SO3)2","Dalton Transactions","2021","","","","","10.1039/D1DT03578A","","","1.54184","CuKα","","0.0878","0.0787","","","0.2153","0.2327","","","","","","1.047","","","","has coordinates,has disorder","271146","2021-12-07","00:02:04",""
"7709030","19.05","0.0002","19.05","0.0002","19.0504","0.0004","90","","90","","120","","5987.21","0.15","14","1","14","1","","","","","","","","7","P 63","P 6c","173","","","","- C26 H36 F6 Fe N18 O6 S2 -","- C26 H36 F6 Fe N18 O6 S2 -","- C156 H216 F36 Fe6 N108 O36 S12 -","6","1","","Bronisz, Robert; Książek, Maria; Kusz, Joachim; Weselski, Marek Damian","Single crystal-to-single crystal transformation – from two distinct to three distinct spin crossover centers in 2D coordination polymer [Fe(bbtr)3](CF3SO3)2","Dalton Transactions","2021","","","","","10.1039/D1DT03578A","","","0.71073","MoKα","","0.135","0.1024","","","0.2736","0.3122","","","","","","1.027","","","","has coordinates,has disorder","271146","2021-12-07","00:02:04",""
"7709031","19.4504","0.0003","19.4504","0.0003","18.729","0.0004","90","","90","","120","","6136.24","0.19","14","1","14","1","","","","","","","","7","P 63","P 6c","173","","","","- C26 H36 F6 Fe N18 O6 S2 -","- C26 H36 F6 Fe N18 O6 S2 -","- C156 H216 F36 Fe6 N108 O36 S12 -","6","1","","Bronisz, Robert; Książek, Maria; Kusz, Joachim; Weselski, Marek Damian","Single crystal-to-single crystal transformation – from two distinct to three distinct spin crossover centers in 2D coordination polymer [Fe(bbtr)3](CF3SO3)2","Dalton Transactions","2021","","","","","10.1039/D1DT03578A","","","0.71073","MoKα","","0.1678","0.1049","","","0.2744","0.344","","","","","","1.022","","","","has coordinates,has disorder","271146","2021-12-07","00:02:04",""
"7709140","10.47","","10.47","","8.819","","90","","90","","120","","837.227","","","","","","","","","","","","","3","P 63","P 6c","173","","Barium Dialuminium Oxide","","- Al2 Ba O4 -","- Al2 Ba O4 -","- Al16 Ba8 O32 -","8","1.33333","","Yin, Xiaomeng; Lin, Hui; Zhang, Dawei; Hong, Ruijin; Tao, Chunxian; Han, Zhaoxia; Zhou, Shengming; Zhang, Zhi-Jun; Zheng, Guanhaoije","BaAl<sub>2</sub>O<sub>4</sub>:Eu<sup>2+</sup>-Al<sub>2</sub>O<sub>3</sub> ceramics for wide range optical temperature sensing.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1784","1790","10.1039/d1dt03416b","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","272665","2022-02-04","19:37:11",""
"7711569","15.473","0.003","15.473","0.003","4.0041","0.0009","90","","90","","120","","830.2","0.3","100","2","100","2","","","","","","","","3","P 63","P 6c","173","","","","- Bi12.89 Br2.85 S17.15 -","- Bi12.9 Br2.846 S17.154 -","- Bi12.9 Br2.846 S17.154 -","1","0.166667","","Amarasinghe, Dinesh K.; Yox, Philip; Viswanathan, Gayatri; Adeyemi, Adedoyin N.; Kovnir, Kirill","Modulation of transport properties via S/Br substitution: solvothermal synthesis, crystal structure, and transport properties of Bi13S17Br3","Dalton Transactions","2022","","","","","10.1039/D2DT02295H","","","0.71073","MoKα","","0.0671","0.0314","","","0.047","0.0499","","","","","","0.971","","","","has coordinates","278826","2022-10-26","23:16:59",""
"7711914","16.376","0.002","16.376","0.002","25.646","0.005","90","","90","","120","","5956.2","1.6","100","2","100","2","","","","","","","","9","P 63","P 6c","173","","","","- C36 H130 Cl0.5 Fe3 N9 Na0.5 O88 P2 W15 -","- C15.6 Fe3 N4.2 Na0.5001 O72.05 P2 W15 -","- C31.2 Fe6 N8.4 Na1.0002 O144.1 P4 W30 -","2","0.333333","","Izarova, Natalya V.; Faassen, Fabian; Kögerler, Paul","Tris-decorated multi-iron polyoxotungstates.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","546","550","10.1039/d2dt02922g","","","0.71073","MoKα","","0.1213","0.0835","","","0.2255","0.2641","","","","","","1.012","","","","has coordinates,has disorder","283343","2023-05-05","02:40:46",""
"7713114","10.0805","0.0004","10.0805","0.0004","17.8516","0.001","90","","90","","120","","1570.98","0.12","93","","93","","","","","","","","","6","P 63","P 6c","173","","","","- C27 H22 Fe2 O6 P S6 -","- C27.0006 H22.0014 Fe2 O6 P S6 -","- C54.0012 H44.0028 Fe4 O12 P2 S12 -","2","0.333333","","Taniai, Ryosuke; Endo, Tsubasa; KANETOMO, Takuya; Okazawa, Atsushi; Kadobayashi, Hirokazu; Kawaguchi, Saori I.; Enomoto, Masaya","57Fe Mössbauer Spectroscopy and High-Pressure Structural Analysis for Mechanism of Pressure-Induced Unique Magnetic Behaviour in (cation)[FeIIFeIII(dto)3] (cation = Ph4P and nPrPh3P; dto = 1,2-dithiooxalato)","Dalton Transactions","2023","","","","","10.1039/D3DT00858D","","","0.71073","MoKα","","0.0784","0.0679","","","0.1738","0.1804","","","","","","1.15","","","","has coordinates,has disorder","283900","2023-05-19","22:57:14",""
"7713986","15.101","0.002","15.101","0.002","12.0727","0.0017","90","","90","","120","","2384.2","0.6","149.99","","149.99","","","","","","","","","5","P 63","P 6c","173","","","","- C45 H60 N3 Ni3 P3 -","- C45 H60 N3 Ni3 P3 -","- C90 H120 N6 Ni6 P6 -","2","0.333333","","SCHILTZ, pauline; Casaretto, Nicolas; Bourcier, Sophie; Gosmini, Corinne; Auffrant, Audrey","Phosphinoquinoline supported CoII, NiII, and FeII complexes: divergent behaviour upon reduction","Dalton Transactions","2023","","","","","10.1039/D3DT02441E","","","0.71073","MoKα","","0.0726","0.0489","","","0.0995","0.128","","","","","","0.901","","","","has coordinates","286420","2023-09-19","22:53:16",""
"7714454","18.5594","0.0015","18.5594","0.0015","11.7771","0.0013","90","","90","","120","","3513.2","0.6","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C30 H58 N6 O30 S6 Sr Zn6 -","- C30 H21 N6 O27 S6 Sr Zn6 -","- C60 H42 N12 O54 S12 Sr2 Zn12 -","2","0.333333","","Bilanin Artigado, Cristina; Escamilla, Paula; Ferrando-Soria, Jesús; Leyva-Perez, Antonio; Armentano, Donatella; Pardo, Emilio","Selective cycloaddition of ethylene oxide to CO2 within the confined space of an amino acid-based metal-organic framework","Dalton Transactions","2023","","","","","10.1039/D3DT01984E","","","0.71073","MoKα","","0.1196","0.0597","","","0.1571","0.1907","","","","","","1.029","","","","has coordinates","287570","2023-11-13","23:53:44",""
"7714978","14.4362","0.0003","14.4362","0.0003","18.673","0.0004","90","","90","","120","","3370.16","0.12","293","2","293","2","","","","","","","","7","P 63","P 6c","173","","","","- C33 H42 Cl Mo12 N9 O43 P -","- C33 H42 Cl Mo12 N9 O43 P -","- C66 H84 Cl2 Mo24 N18 O86 P2 -","2","0.333333","","Chen, Yue-Chen; Di, Yi-Ming; Zhang, Shu-Quan; Lin, Mei-Jin","Polyoxometalate/<i>s</i>-triazine hybrid heterostructures with ultrafast photochromic properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3215","3223","10.1039/d3dt04157c","","","0.71073","MoKα","","0.0316","0.0305","","","0.0898","0.0905","","","","","","1.125","","","","has coordinates","290188","2024-03-04","20:19:36",""
"7715512","9.1319","0.0004","9.1319","0.0004","5.2815","0.0003","90","","90","","120","","381.43","0.03","273.15","","273.15","","","","","","","","","3","P 63","P 6c","173","","","","- Cr I3 O9 -","- Cr I3 O9 -","- Cr2 I6 O18 -","2","0.333333","","Chi, Yang; Xin, Mei-Ling","Chromium iodate: the structure and origin of optical second harmonic generation.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7093","7099","10.1039/d4dt00470a","","","0.71073","MoKα","","0.0561","0.0326","","","0.0653","0.0707","","","","","","1.07","","","","has coordinates","291626","2024-05-05","02:51:07",""
"8000112","19.879","0.005","19.879","0.005","22.926","0.012","90","","90","","120","","7846","5","296","2","296","2","","","","","","","","9","P 63","P 6c","173","","","","- C20 H60 Cl4 Co2 N9 Na O22 Pt2 S5 -","- C20 H60 Cl4 Co2 N9 Na1.00333 O22 Pt2 S5 -","- C120 H360 Cl24 Co12 N54 Na6.02 O132 Pt12 S30 -","6","1","","Igashira-Kamiyama, Asako; Fujioka, Junji; Kodama, Tomoki; Kawamoto, Tatsuya; Konno, Takumi","Anion-controlled Preparation of Chiral S-Bridged CoIIIPtII2 and CoIII2PtII2 Complexes Consisting of [Co(D-penicillaminato-N,O,S)2]− and [Pt(CH3NH2)2]2+ Units","Chemistry Letters","2006","35","5","522","","10.1246/cl.2006.522","","","0.71069","MoKα","","0.2822","0.0631","","","0.1309","0.1875","","","","","","0.933","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102907","10.678","0.004","10.678","0.004","6.12","0.003","90","","90","","120","","604.3","0.4","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","trilanthanum manganese aluminum heptaselenide","","- Al La3 Mn Se7 -","- Al La3 Mn0.726 Se7 -","- Al2 La6 Mn1.452 Se14 -","2","0.333333","","L.-B. Wu; F.-Q. Huang","Crystal structure of trilanthanum manganese aluminum heptaselenide, La~3~Mn~0.73~AlSe~7~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","305","306","","","","0.71073","MoKα","","0.0199","0.0197","","","0.0358","0.0358","","","","","","1.283","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102914","10.421","0.002","10.421","0.002","5.785","0.003","90","","90","","120","","544.1","0.3","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","trilanthanum monosilver monosilicon heptasulfide","","- Ag La3 S7 Si -","- Ag La3 S7 Si -","- Ag2 La6 S14 Si2 -","2","0.333333","","L.-B. Wu; F.-Q. Huang","Crystal structure of trilanthanum monosilver monosilicon heptasulfide, La~3~AgSiS~7~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","307","308","","","","0.71073","MoKα","","0.0424","0.0423","","","0.0985","0.0986","","","","","","1.195","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103628","12.75","","12.75","","5.14","","90","","90","","120","","723.626","","","","","","","","","","","","","7","P 63","P 6c","173","","Na6 (Al6 Si6 O24) (Ca C O3) (H2 O)2","","- C H4 Al6 Ca Na6 O29 Si6 -","- C Al6 Ca Na6 O28.998 Si6 -","- C Al6 Ca Na6 O28.998 Si6 -","1","0.166667","","Jarchow, O.","Atomanordnung und Strukturverfeinerung von Cancrinit","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1965","122","","407","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103755","10.8377","","10.8377","","8.6865","","90","","90","","120","","883.588","","","","","","","","","","","","","4","P 63","P 6c","173","","Ba (Fe Ga O4)","","- Ba Fe Ga O4 -","- Ba Fe Ga O3.99975 -","- Ba8 Fe8 Ga8 O31.998 -","8","1.33333","","Kahlenberg, V.; Parise, J.B.; Lee, Y.; Tripathi, A.","Characterization of the stuffed framework structures Ba Al Ga O4 and Ba Fe Ga O4","Zeitschrift fuer Kristallographie (149,1979-)","2002","217","","249","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103847","12.725","","12.725","","5.177","","90","","90","","120","","725.98","","","","","","","","","","","","","6","P 63","P 6c","173","","Na7.6 (Al6 Si6 O24) (H C O3)1.2 (C O3)0.2 (H2 O)2.28","","- C1.4 H5.76 Al6 Na7.6 O30.48 Si6 -","- C1.412 H1.41 Al6 Na7.622 O30.48 Si6 -","- C1.412 H1.41 Al6 Na7.622 O30.48 Si6 -","1","0.166667","","Gesing, T.M.; Buhl, J.C.","Structure and spectroscopic properties of hydrogencarbonate containing alumosilicate sodalite and cancrinite","Zeitschrift fuer Kristallographie (149,1979-)","2000","215","","413","418","","","","","","","","","","","","","","","","","","","","","","has coordinates","161384","2020-10-21","18:00:00",""
"8104186","10.06","","10.06","","8.42","","90","","90","","120","","737.97","","","","","","","","","","","","","5","P 63","P 6c","173","","Na3 K (Si0.56 Al0.44)8 O16","","- Al3.52 K Na3 O16 Si4.48 -","- Al3.54 K Na3 O15.9999 Si4.46 -","- Al7.08 K2 Na6 O31.9998 Si8.92 -","2","0.333333","","Foreman, N.; Peacor, D.R.","Refinement of the nepheline structure at several temperatures","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1970","132","","45","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104308","13.155","","13.155","","8.706","","90","","90","","120","","1304.76","","","","","","","","","","","","","2","P 63","P 6c","173","","Si3 N4","","- N4 Si3 -","- N4 Si3 -","- N24 Si18 -","6","1","","Hartmann, P.","A uniform description of phenakite type structures as superstructures of beta-Si3N4","Zeitschrift fuer Kristallographie (149,1979-)","1989","187","","139","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","169220","2020-10-21","18:00:00",""
"8104311","9.958","","9.958","","8.341","","90","","90","","120","","716.297","","","","","","","","","","","","","4","P 63","P 6c","173","","Na7.15 (Al7.2 Si8.8 O32)","","- Al7.2 Na7.15 O32 Si8.8 -","- Al7.2 Na7.152 O31.998 Si8.8 -","- Al7.2 Na7.152 O31.998 Si8.8 -","1","0.166667","","Hippler, B.; Boehm, H.","Structure investigation on sodium-nephelines","Zeitschrift fuer Kristallographie (149,1979-)","1989","187","","39","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","169262","2020-10-21","18:00:00",""
"8104372","9.955","","9.955","","18.59","","90","","90","","120","","1595.48","","","","","","","","","","","","","4","P 63","P 6c","173","","Ba13 Al22 Si10 O66","","- Al22 Ba12.6666 O66 Si10 -","- Al22 Ba12.6666 O66 Si10 -","- Al22 Ba12.6666 O66 Si10 -","1","0.166667","","Gebert, W.","Die Kristallstruktur von Ba13 Al22 Si10 O66","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1972","135","","437","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","173215","2020-10-21","18:00:00",""
"8104950","37.24213","0.00009","37.24213","0.00009","11.64828","0.00003","90","","90","","120","","13991.4","0.06","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C25.71 H32.57 N9.86 O15 P3 Ru3 S3 -","- C25.7143 H32.5714 N9.85714 O15 P3 Ru3 S3 -","- C360 H456 N138 O210 P42 Ru42 S42 -","14","2.33333","","Ebong, Wisdom; Muniz, Alexandra E.; Khan, David R.; Unruh, Daniel K.; Yarbrough, Jason C.","Synthesis and crystal structure of nonacarbonyltris[(2-thia-1,3,5-triaza-7-phosphatricylco[3.3.1.1]decane-κ1 P)-2,2-dioxide]triruthenium(0) – acetonitrile (7/6), C25.71H32.57N9.86O15P3S3Ru3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","17","21","10.1515/ncrs-2021-0359","","x-ray","1.54178","CuKα","","0.041","0.0406","","","0.1005","0.1009","","","","","","1.086","","","","has coordinates","274113","2022-03-30","08:39:59",""
"9000287","10.003","","10.003","","8.381","","90","","90","","120","","726.251","","","","","","","","","","","","","5","P 63","P 6c","173","","","Nepheline","- Al3.6 K Na3 O15.999 Si4.4 -","- Al3.6 K Na3 O15.999 Si4.4 -","- Al7.2 K2 Na6 O31.998 Si8.8 -","2","0.333333","","Simmons, W. B.; Peacor, D. R.","Refinement of the crystal structure of a volcanic nepheline","American Mineralogist","1972","57","","1711","1719","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000484","8.715","","8.715","","8.472","","90","","90","","120","","557.252","","","","","","","","","","","","","5","P 63","P 6c","173","","","Painite","- Al9 B Ca O18 Zr -","- Al9 B Ca O18 Zr -","- Al18 B2 Ca2 O36 Zr2 -","2","0.333333","","Moore, P. B.; Araki, T.","Painite, CaZrB[Al9O18]: Its crystal structure and relation to jeremejevite, B5[X3Al6(OH)3O15], and fluoborite, B3[Mg9(F,OH)9O9]","American Mineralogist","1976","61","","88","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000724","7.8603","","7.8603","","9.573","","90","","90","","120","","512.22","","","","","","","","","","","","","3","P 63","P 6c","173","Phase-A","","Phase-A","- Mg7 O14 Si2 -","- Mg7 O14 Si2 -","- Mg14 O28 Si4 -","2","0.333333","","Horiuchi, H.; Morimoto, N.; Yamamoto, K.; Akimoto, S. I.","Crystal structure of 2Mg2SiO4.3Mg(OH)2, a new high-pressure structure type","American Mineralogist","1979","64","","593","598","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:39",""
"9000964","10.34","","10.34","","6.097","","90","","90","","120","","564.531","","","","","","","","","","","","","5","P 63","P 6c","173","","","Kambaldaite","- C3 H9 Na Ni4 O15 -","- C3 H9 Na Ni4 O15 -","- C6 H18 Na2 Ni8 O30 -","2","0.333333","","Engelhardt, L. M.; Hall, S. R.; White, A. H.","Crystal Structure of kambaldaite, Na2Ni8(CO3)6(OH)6(H2O)6 Note: U(1,2) for Na and for Ni2 has been altered to match symmetry constraints","American Mineralogist","1985","70","","423","427","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001089","11.655","","11.655","","4.692","","90","","90","","120","","551.967","","","","","","","","","","","","","8","P 63","P 6c","173","","","Tiptopite","- Be3 Ca0.36 H7.26 K Li1.44 Na0.84 O15.01 P3 -","- Be3 Ca0.36 H3.01 K Li1.44 Na0.84 O15.01 P3 -","- Be6 Ca0.72 H6.02 K2 Li2.88 Na1.68 O30.02 P6 -","2","0.333333","","Peacor D R; Rouse R C; Ahn J-H","Crystal structure of tiptopite, a framework beryllophosphate isotypic with basic cancrinite Note: U(1,2) for OH5 has been altered to match symmetry constraints.","American Mineralogist","1987","72","","816","820","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9001122","14.2513","","14.2513","","5.59","","90","","90","","120","","983.222","","","","","","","","","","","","","6","P 63","P 6c","173","","","Cetineite","- H2.82 K2.4 Na0.58 O11.82 S3 Sb7 -","- H2.82 K2.4 Na0.58 O11.82 S3 Sb7 -","- H5.64 K4.8 Na1.16 O23.64 S6 Sb14 -","2","0.333333","","Sabelli, C.; Nakai, I.; Katsura, S.","Crystal structures of cetineite and its synthetic Na analogue Na3.6(Sb2O3)3(SbS3)(OH)0.6.2.4(H2O)","American Mineralogist","1988","73","","398","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9001123","14.152","","14.152","","5.5758","","90","","90","","120","","967.105","","","","","","","","","","","","","5","P 63","P 6c","173","","","Cetineite","- H3 Na3.61 O12 S3 Sb7 -","- H3 Na3.61 O12 S3 Sb7 -","- H6 Na7.22 O24 S6 Sb14 -","2","0.333333","","Sabelli, C.; Nakai, I.; Katsura, S.","Crystal structures of cetineite and its synthetic Na analogue Na3.6(Sb2O3)3(SbS3)(OH)0.6.2.4(H2O) Sample: Synthetic Na analogue","American Mineralogist","1988","73","","398","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9001400","22.121","","22.121","","5.221","","90","","90","","120","","2212.55","","","","","","","","","","","","","7","P 63","P 6c","173","","","Pitiglianoite","- Al9 H18 K4.002 Na10.998 O44.997 S1.5 Si9 -","- Al9 H5.994 K4.002 Na10.998 O44.997 S1.5 Si9 -","- Al18 H11.988 K8.004 Na21.996 O89.994 S3 Si18 -","2","0.333333","","Merlino, S.; Mellini, M.; Bonaccorsi, E.; Pasero, M.; Leoni, L.; Orlandi, P.","Pitiglianoite, a new feldspathoid from southern Tuscany, Italy: Chemical composition and crystal structure","American Mineralogist","1991","76","","2003","2008","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9001882","5.334","","5.334","","14.37","","90","","90","","120","","354.073","","","","","","","","","","","","","6","P 63","P 6c","173","","","Lizardite-2H2","- Al1.12 Fe0.12 H4 Mg2.34 O9 Si1.42 -","- Al1.12 Fe0.12 H4 Mg2.34 O9 Si1.42 -","- Al2.24 Fe0.24 H8 Mg4.68 O18 Si2.84 -","2","0.333333","","Brigatti, M. F.; Galli, E.; Medici, L.; Poppi, L.","Crystal structure refinement of aluminian lizardite-2H2","American Mineralogist","1997","82","","931","935","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002252","5.1627","","5.1627","","8.706","","90","","90","","120","","200.957","","","","","","","","","","","","","4","P 63","P 6c","173","","","Kalsilite","- Al K O4 Si -","- Al K O4 Si -","- Al2 K2 O8 Si2 -","2","0.333333","","Cellai, D.; Gesing, T. M.; Wruck, B.; Carpenter, M. A.","X-ray study of the trigonal-hexagonal phase transition in metamorphic kalsilite","American Mineralogist","1999","84","","1950","1955","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002534","12.6666","","12.6666","","5.1808","","90","","90","","120","","719.859","","","","296","","","","","","","","","6","P 63","P 6c","173","","","Cancrinite","- Al3 H1.17 N0.87 Na3.96 O15.78 Si3 -","- Al3 H1.17 N0.87 Na3.96 O15.78 Si3 -","- Al6 H2.34 N1.74 Na7.92 O31.56 Si6 -","2","0.333333","","Fechtelkord, M.; Stief, F.; Buhl, J.-C.","Sodium cation dynamics in nitrate cancrinite: A low and high temperature Na and H MAS NMR study and high temperature Rietveld structure refinement Sample: T = 296 K","American Mineralogist","2001","86","","165","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9002535","12.7261","","12.7261","","5.2214","","90","","90","","120","","732.332","","","","673","","","","","","","","","6","P 63","P 6c","173","","","Cancrinite","- Al3 H0.08 N0.82 Na3.87 O14.54 Si3 -","- Al3 H0.08 N0.82 Na3.87 O14.54 Si3 -","- Al6 H0.16 N1.64 Na7.74 O29.08 Si6 -","2","0.333333","","Fechtelkord, M.; Stief, F.; Buhl, J.-C.","Sodium cation dynamics in nitrate cancrinite: A low and high temperature Na and H MAS NMR study and high temperature Rietveld structure refinement Sample: T = 673 K","American Mineralogist","2001","86","","165","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9002569","12.41595","","12.41595","","4.97019","","90","","90","","120","","663.535","","","","","","","","","","","","","6","P 63","P 6c","173","","","Cancrinite","- Al3 Cs H4.64 Li2.73 O16.64 Si3 -","- Al3 Cs H4.64 Li2.73 O16.64 Si3 -","- Al6 Cs2 H9.28 Li5.46 O33.28 Si6 -","2","0.333333","","Fechtelkord, M.; Posnatzki, B.; Buhl, J.-C.; Fyfe, C. A.; Groat, L. A.; Raudsepp, M.","Characterization of synthetic Cs-Li cancrinite grown in a butanediol-water system: An NMR spectroscopic and Rietveld refinement study","American Mineralogist","2001","86","","881","888","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9002580","9.547","","9.547","","6.991","","90","","90","","120","","551.828","","","","","","","","","","","","","15","P 63","P 6c","173","","","Fluorbritholite-(Ce)","- B0.09 Ca2.45 Ce1.05 F0.88 H0.12 La0.55 Nd0.3 O12.12 P0.12 Pr0.1 Si2.79 Sm0.05 Th0.35 U0.05 Y0.1 -","- B0.09 Ca2.45 Ce1.05 F0.88 H0.12 La0.55 Nd0.3 O12.12 P0.12 Pr0.1 Si2.79 Sm0.05 Th0.35 U0.05 Y0.1 -","- B0.18 Ca4.9 Ce2.1 F1.76 H0.24 La1.1 Nd0.6 O24.24 P0.24 Pr0.2 Si5.58 Sm0.1 Th0.7 U0.1 Y0.2 -","2","0.333333","","Oberti, R.; Ottolini, L.; Della Ventura, G.; Parodi, G. C.","On the symmetry and crystal chemistry of britholite: New structural and microanalytical data Sample: CAPR in volcanic ejectum from Capranica, Latium, Italy","American Mineralogist","2001","86","","1066","1075","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:09",""
"9002581","9.682","","9.682","","7.066","","90","","90","","120","","573.633","","","","","","","","","","","","","11","P 63","P 6c","173","","","Fluorbritholite-(Ce)","- Ca1.03 Ce1.67 F0.88 H0.12 La1.47 Na0.5 Nd0.23 O12.12 P0.39 Pr0.1 Si2.55 -","- Ca1.03 Ce1.67 F0.88 H0.12 La1.47 Na0.5 Nd0.23 O12.12 P0.39 Pr0.1 Si2.55 -","- Ca2.06 Ce3.34 F1.76 H0.24 La2.94 Na Nd0.46 O24.24 P0.78 Pr0.2 Si5.1 -","2","0.333333","","Oberti, R.; Ottolini, L.; Della Ventura, G.; Parodi, G. C.","On the symmetry and crystal chemistry of britholite: New structural and microanalytical data Sample: LOS from Rouma Island, Guinea","American Mineralogist","2001","86","","1066","1075","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9004040","12.59","","12.59","","5.117","","90","","90","","120","","702.421","","","","","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","7","P 63","P 6c","173","","","Cancrinite","- C0.76 H1.78 Al3 Ca0.75 Na3.01 O15.28 Si3 -","- C0.76 H2 Al3 Ca0.75 Na3.01 O15.28 Si3 -","- C1.52 H4 Al6 Ca1.5 Na6.02 O30.56 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: SC20","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004041","12.5906","","12.5906","","5.1168","","90","","90","","120","","702.461","","","","298.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","7","P 63","P 6c","173","","","Cancrinite","- C0.76 H1.78 Al3 Ca0.75 Na3.01 O15.081 Si3 -","- C0.76 H1.602 Al3 Ca0.75 Na3.01 O15.081 Si3 -","- C1.52 H3.204 Al6 Ca1.5 Na6.02 O30.162 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 25 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004042","12.5979","","12.5979","","5.1243","","90","","90","","120","","704.306","","","","374.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","7","P 63","P 6c","173","","","Cancrinite","- C0.76 H1.78 Al3 Ca0.75 Na3.01 O15.068 Si3 -","- C0.76 H1.576 Al3 Ca0.75 Na3.01 O15.068 Si3 -","- C1.52 H3.152 Al6 Ca1.5 Na6.02 O30.136 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 101 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004043","12.6111","","12.6111","","5.1369","","90","","90","","120","","707.518","","","","480.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","7","P 63","P 6c","173","","","Cancrinite","- C0.76 H1.78 Al3 Ca0.75 Na3.01 O15.062 Si3 -","- C0.76 H1.564 Al3 Ca0.75 Na3.01 O15.062 Si3 -","- C1.52 H3.128 Al6 Ca1.5 Na6.02 O30.124 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 207 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004044","12.6268","","12.6268","","5.1514","","90","","90","","120","","711.283","","","","571.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","7","P 63","P 6c","173","","","Cancrinite","- C0.76 H1.78 Al3 Ca0.75 Na3.01 O14.999 Si3 -","- C0.76 H1.438 Al3 Ca0.75 Na3.01 O14.999 Si3 -","- C1.52 H2.876 Al6 Ca1.5 Na6.02 O29.998 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 298 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004045","12.6414","","12.6414","","5.158","","90","","90","","120","","713.842","","","","678.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","7","P 63","P 6c","173","","","Cancrinite","- C0.76 H1.78 Al3 Ca0.75 Na3.01 O14.776 Si3 -","- C0.76 H0.992 Al3 Ca0.75 Na3.01 O14.776 Si3 -","- C1.52 H1.984 Al6 Ca1.5 Na6.02 O29.552 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 405 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004046","12.6538","","12.6538","","5.1736","","90","","90","","120","","717.407","","","","769.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","7","P 63","P 6c","173","","","Cancrinite","- C0.76 H1.78 Al3 Ca0.75 Na3.01 O14.568 Si3 -","- C0.76 H0.576 Al3 Ca0.75 Na3.01 O14.568 Si3 -","- C1.52 H1.152 Al6 Ca1.5 Na6.02 O29.136 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 496 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004047","12.6508","","12.6508","","5.1707","","90","","90","","120","","716.665","","","","784.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","7","P 63","P 6c","173","","","Cancrinite","- C0.76 H1.78 Al3 Ca0.75 Na3.01 O14.534 Si3 -","- C0.76 H0.508 Al3 Ca0.75 Na3.01 O14.534 Si3 -","- C1.52 H1.016 Al6 Ca1.5 Na6.02 O29.068 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 511 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004048","12.656","","12.656","","5.1728","","90","","90","","120","","717.545","","","","830.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","7","P 63","P 6c","173","","","Cancrinite","- C0.76 H1.78 Al3 Ca0.75 Na3.01 O14.419 Si3 -","- C0.76 H0.278 Al3 Ca0.75 Na3.01 O14.419 Si3 -","- C1.52 H0.556 Al6 Ca1.5 Na6.02 O28.838 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 557 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004049","12.6631","","12.6631","","5.1753","","90","","90","","120","","718.698","","","","875.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","7","P 63","P 6c","173","","","Cancrinite","- C0.76 H1.78 Al3 Ca0.75 Na3.01 O14.31 Si3 -","- C0.76 H0.06 Al3 Ca0.75 Na3.01 O14.31 Si3 -","- C1.52 H0.12 Al6 Ca1.5 Na6.02 O28.62 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 602 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004050","12.6696","","12.6696","","5.1755","","90","","90","","120","","719.463","","","","921.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","6","P 63","P 6c","173","","","Cancrinite","- C0.742 Al3 Ca0.75 Na3.01 O14.226 Si3 -","- C0.742 Al3 Ca0.75 Na3.01 O14.226 Si3 -","- C1.484 Al6 Ca1.5 Na6.02 O28.452 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 648 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9004051","12.6758","","12.6758","","5.1835","","90","","90","","120","","721.281","","","","966.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","6","P 63","P 6c","173","","","Cancrinite","- C0.742 Al3 Ca0.75 Na3.01 O14.226 Si3 -","- C0.742 Al3 Ca0.75 Na3.01 O14.226 Si3 -","- C1.484 Al6 Ca1.5 Na6.02 O28.452 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 693 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9004052","12.6886","","12.6886","","5.1924","","90","","90","","120","","723.979","","","","1073.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","6","P 63","P 6c","173","","","Cancrinite","- C0.742 Al3 Ca0.75 Na3.01 O14.226 Si3 -","- C0.742 Al3 Ca0.75 Na3.01 O14.226 Si3 -","- C1.484 Al6 Ca1.5 Na6.02 O28.452 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 800 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9004053","12.7034","","12.7034","","5.2031","","90","","90","","120","","727.165","","","","1164.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","6","P 63","P 6c","173","","","Cancrinite","- C0.72 Al3 Ca0.75 Na3.01 O14.16 Si3 -","- C0.72 Al3 Ca0.75 Na3.01 O14.16 Si3 -","- C1.44 Al6 Ca1.5 Na6.02 O28.32 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 891 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9004054","12.7187","","12.7187","","5.215","","90","","90","","120","","730.584","","","","1225.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","6","P 63","P 6c","173","","","Cancrinite","- C0.732 Al3 Ca0.75 Na3.01 O14.196 Si3 -","- C0.732 Al3 Ca0.75 Na3.01 O14.196 Si3 -","- C1.464 Al6 Ca1.5 Na6.02 O28.392 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 952 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9004162","12.59","","12.59","","5.117","","90","","90","","120","","702.421","","","","","","","","","","","","","7","P 63","P 6c","173","","","Cancrinite","- C0.76 H0.99 Al3 Ca0.75 Na3.01 O15.27 Si3 -","- C0.76 H0.99 Al3 Ca0.75 Na3.01 O15.27 Si3 -","- C1.52 H1.98 Al6 Ca1.5 Na6.02 O30.54 Si6 -","2","0.333333","","Grundy, H. D.; Hassan, I.","The crystal structure of a carbonate-rich cancrinite Note: Si-y coordinate changed to match reported bond lengths","The Canadian Mineralogist","1982","20","","239","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9004172","12.685","0.006","12.685","0.006","5.179","0.001","90","","90","","120","","721.701","","","","","","","","","","","","","7","P 63","P 6c","173","","","Vishnevite","- Al3 Ca0.06 K0.51 Na3.25 O14.67 S0.24 Si3 -","- Al3 Ca0.06 K0.51 Na3.25 O14.67 S0.24 Si3 -","- Al6 Ca0.12 K1.02 Na6.5 O29.34 S0.48 Si6 -","2","0.333333","","Hassan, I.; Grundy, H. D.","The character of the cancrinite-vishnevite solid-solution series","The Canadian Mineralogist","1984","22","","333","349","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004215","12.854","","12.854","","5.357","","90","","90","","120","","766.529","","","","","","","","","","","","","7","P 63","P 6c","173","","","Davyne","- Al3.09 Ca Cl K0.84 Na1.65 O12 Si2.91 -","- Al3.09 Ca Cl K0.84 Na1.65 O12 Si2.91 -","- Al6.18 Ca2 Cl2 K1.68 Na3.3 O24 Si5.82 -","2","0.333333","","Hassan, I.; Grundy, H. D.","Structure of davyne and implications for stacking faults Sample BM1907,210","The Canadian Mineralogist","1990","28","","341","349","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004216","12.793","","12.793","","5.367","","90","","90","","120","","760.689","","","","","","","","","","","","","8","P 63","P 6c","173","","","Davyne","- Al3 Ca0.97 Cl K1.29 Na1.53 O13.72 S0.25 Si3 -","- Al3 Ca0.97 Cl K1.29 Na1.53 O13.72 S0.25 Si3 -","- Al6 Ca1.94 Cl2 K2.58 Na3.06 O27.44 S0.5 Si6 -","2","0.333333","","Hassan, I.; Grundy, H. D.","Structure of davyne and implications for stacking faults Sample 1469","The Canadian Mineralogist","1990","28","","341","349","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004217","17.3984","","17.3984","","6.0078","","90","","90","","120","","1574.94","","","","","","","","","","","","","5","P 63","P 6c","173","","","Szymanskiite","- C6 Hg8 Mg0.96 Ni2.04 O29.4 -","- C6 Hg8 Mg0.96 Ni2.04 O29.4 -","- C12 Hg16 Mg1.92 Ni4.08 O58.8 -","2","0.333333","","Szymanski, J. T.; Roberts, A. C.","The crystal structure of szymanskiite, a partly disordered (Hg-Hg)2+, (Ni,Mg)2+ hydronium-carbonate-hydroxide-hydrate","The Canadian Mineralogist","1990","28","","709","718","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004241","12.664","","12.664","","5.159","","90","","90","","120","","716.536","","","","","","","","","","","","","4","P 63","P 6c","173","","","Cancrinite","- Al3 Na4 O14.35 Si3 -","- Al3 Na4 O14.35 Si3 -","- Al6 Na8 O28.7 Si6 -","2","0.333333","","Hassan, I.; Grundy, H. D.","The crystal structure of basic cancrinite, ideally Na8[Al6Si6O24](OH)2.3H2O","The Canadian Mineralogist","1991","29","","377","383","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004503","12.6916","","12.6916","","5.3333","","90","","90","","120","","743.977","","","","","","","","","","","","","8","P 63","P 6c","173","","","Balliranoite","- C0.39 Al3 Ca1.57 Cl1.134 Na2.43 O13.53 S0.09 Si3 -","- C0.39 Al3 Ca1.57 Cl1.134 Na2.43 O13.53 S0.09 Si3 -","- C0.78 Al6 Ca3.14 Cl2.268 Na4.86 O27.06 S0.18 Si6 -","2","0.333333","","Ballirano, P.; Bonaccorsi, E.; Merlino, S.","Carbonate groups in davyne: Structural and crystal-chemical considerations","The Canadian Mineralogist","1998","36","","1285","1292","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004616","13.8964","","13.8964","","7.7001","","90","","90","","120","","1287.75","","","","","","","","","","","","Khibina-Lovozero complex, Kola Peninsula, Russia","4","P 63","P 6c","173","","","Malinkoite","- B Na O4 Si -","- B Na O4 Si -","- B18 Na18 O72 Si18 -","18","3","","Sokolova, E. V.; Hawthorne, F. C.; Khomyakov, A. P.","The crystal chemistry of malinkoite, NaBSiO4, and lisitsynite, KBSi2O6, from the Khibina-Lovozero complex, Kola Peninsula, Russia","The Canadian Mineralogist","2001","39","","159","169","10.2113/gscanmin.39.1.159","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004685","18.1111","","18.1111","","8.4619","","90","","90","","120","","2403.74","","","","","","","","","","","","Khibina alkaline massif, Kola Peninsula, Russia","4","P 63","P 6c","173","","","Megakalsilite","- Al K O4 Si -","- Al K O4 Si -","- Al24 K24 O96 Si24 -","24","4","","Khomyakov, A. P.; Nechelyustov, G. N.; Sokolova, E. V.; Bonaccorsi, E.; Merlino, S.; Pasero, M.","Megakalsilite, a new polymorph of KAlSiO4 from the Khibina alkaline massif, Kola Peninsula, Russia: mineral description and crystal structure","The Canadian Mineralogist","2002","40","","961","970","10.2113/gscanmin.40.3.961","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004729","9.9995","","9.9995","","8.384","","90","","90","","120","","726.003","","","","","","","","","","","","Khibina-Lovozero complex, Kola peninsula, Russia","6","P 63","P 6c","173","","","Nepheline","- Al3.88 Fe0.04 K0.955 Na3 O16 Si4.08 -","- Al3.88 Fe0.04 K0.955 Na3 O16 Si4.08 -","- Al7.76 Fe0.08 K1.91 Na6 O32 Si8.16 -","2","0.333333","","Tait, K. T.; Sokolova, E. V.; Hawthorne, F. C.; Khomyakov, A. P.","The crystal chemistry of nepheline Note: sample 1","The Canadian Mineralogist","2003","41","","61","70","10.2113/gscanmin.41.1.61","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004730","9.985","","9.985","","8.372","","90","","90","","120","","722.863","","","","","","","","","","","","Bancroft, Ontario, Canada","6","P 63","P 6c","173","","","Nepheline","- Al3.79 Ca0.04 K0.8 Na3 O16 Si4.21 -","- Al3.79 Ca0.04 K0.8 Na3 O16 Si4.21 -","- Al7.58 Ca0.08 K1.6 Na6 O32 Si8.42 -","2","0.333333","","Tait, K. T.; Sokolova, E. V.; Hawthorne, F. C.; Khomyakov, A. P.","The crystal chemistry of nepheline Note: sample 2","The Canadian Mineralogist","2003","41","","61","70","10.2113/gscanmin.41.1.61","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004731","9.9979","","9.9979","","8.3852","","90","","90","","120","","725.875","","","","","","","","","","","","Monte Somma, Italy","7","P 63","P 6c","173","","","Nepheline","- Al3.93 Ca0.06 Fe0.03 K0.88 Na2.94 O16 Si4.04 -","- Al3.93 Ca0.06 Fe0.03 K0.88 Na2.94 O16 Si4.04 -","- Al7.86 Ca0.12 Fe0.06 K1.76 Na5.88 O32 Si8.08 -","2","0.333333","","Tait, K. T.; Sokolova, E. V.; Hawthorne, F. C.; Khomyakov, A. P.","The crystal chemistry of nepheline Note: sample 3","The Canadian Mineralogist","2003","41","","61","70","10.2113/gscanmin.41.1.61","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004766","9.9853","","9.9853","","8.3689","","90","","90","","120","","722.639","","","","","","","","","","","","","5","P 63","P 6c","173","","","Nepheline","- Al4 K0.675 Na3 O16 Si4 -","- Al4 K0.675 Na3 O16 Si4 -","- Al8 K1.35 Na6 O32 Si8 -","2","0.333333","","Hassan, I.; Antao, S. M.; Hersi, A. A. M.","Single-crystal XRD, TEM, and thermal studies of the satellite reflection in nepheline","The Canadian Mineralogist","2003","41","","759","783","10.2113/gscanmin.41.3.759","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004916","9.4456","","9.4456","","6.952","","90","","90","","120","","537.155","","","","","","","","","","","","","10","P 63","P 6c","173","","","Fluorcaphite","- Ca2.45 Ce0.22 F0.958 H0.042 La0.134 Na0.585 Nd0.02 O12.042 P3 Sr1.591 -","- Ca2.45 Ce0.22 F0.958 H0.042 La0.134 Na0.585 Nd0.02 O12.042 P3 Sr1.591 -","- Ca4.9 Ce0.44 F1.916 H0.084 La0.268 Na1.17 Nd0.04 O24.084 P6 Sr3.182 -","2","0.333333","","Chakhmouradian, A. R.; Hughes, J. M.; Rakovan, J. F.","Fluorcaphite, a second occurrence and detailed structural analysis: Simultaneous accommodation of Ca, Sr, Na, LREE in the apatite atomic arrangement Sample: Mt. Selsurt, Lovozero, Russia","The Canadian Mineralogist","2005","43","","735","746","10.2113/gscanmin.43.2.735","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004917","9.4853","","9.4853","","6.9862","","90","","90","","120","","544.344","","","","","","","","","","","","","11","P 63","P 6c","173","","","Fluorcaphite","- Ca3.295 Ce0.185 F0.749 H0.251 La0.175 Na0.195 Nd0.066 O12.251 P3 Pr0.04 Sr1.044 -","- Ca3.295 Ce0.185 F0.749 H0.251 La0.175 Na0.195 Nd0.066 O12.251 P3 Pr0.04 Sr1.044 -","- Ca6.59 Ce0.37 F1.498 H0.502 La0.35 Na0.39 Nd0.132 O24.502 P6 Pr0.08 Sr2.088 -","2","0.333333","","Chakhmouradian, A. R.; Hughes, J. M.; Rakovan, J. F.","Fluorcaphite, a second occurrence and detailed structural analysis: Simultaneous accommodation of Ca, Sr, Na, LREE in the apatite atomic arrangement Sample: Mt. Koashva, Khibina complex, Kola Peninsula, northwestern Russia","The Canadian Mineralogist","2005","43","","735","746","10.2113/gscanmin.43.2.735","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9004995","9.982","","9.982","","8.364","","90","","90","","120","","721.738","","","","","","","","","","","","","6","P 63","P 6c","173","","","Nepheline","- Al4 Ca0.285 K0.1 Na3.33 O16 Si4 -","- Al4 Ca0.285 K0.1 Na3.33 O16 Si4 -","- Al8 Ca0.57 K0.2 Na6.66 O32 Si8 -","2","0.333333","","Rossi, G.; Oberti, R.; Smith, D. C.","The crystal structure of a K-poor Ca-rich silicate with the nepheline framework, and crystal-chemical relationships in the compositional space (K,Na,Ca,_)8(Al,Si)16O32","European Journal of Mineralogy","1989","1","","59","70","10.1127/ejm/01/1/0059","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005134","8.8169","","8.8169","","8.3873","","90","","90","","120","","564.657","","","","","","","","","","","","","5","P 63","P 6c","173","","","","- Ga3 K0.9 Na2.1 O12 Si3 -","- Ga3 K0.9 Na2.1 O12 Si3 -","- Ga6 K1.8 Na4.2 O24 Si6 -","2","0.333333","","Barbier, J.; Liu, B.; Weber, J.","Crystal chemistry of the (Na,K)GaSiO4 system Note: kalsilite structure","European Journal of Mineralogy","1993","5","","297","305","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005139","12.2471","","12.2471","","4.9287","","90","","90","","120","","640.22","","","","293.15","","","","","","","","","6","P 63","P 6c","173","","","Ellenbergerite","- Al3 H5 Mg3.7 O19 Si4 Ti0.3 -","- Al3 H4.99999 Mg3.7 O19 Si4 Ti0.3 -","- Al6 H9.99998 Mg7.4 O38 Si8 Ti0.6 -","2","0.333333","","Comodi, P.; Zanazzi, P. F.","Structural study of ellenbergerite. Part 1: Effects of high temperature Sample: I, T = 20 deg C","European Journal of Mineralogy","1993","5","","819","829","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005140","12.2573","","12.2573","","4.9316","","90","","90","","120","","641.665","","","","293.15","","","","","","","","","6","P 63","P 6c","173","","","Ellenbergerite","- Al3 H5 Mg3.7 O19 Si4 Ti0.3 -","- Al3 H4.99999 Mg3.7 O19 Si4 Ti0.3 -","- Al6 H9.99998 Mg7.4 O38 Si8 Ti0.6 -","2","0.333333","","Comodi, P.; Zanazzi, P. F.","Structural study of ellenbergerite. Part 1: Effects of high temperature Sample: II, T = 20 deg C","European Journal of Mineralogy","1993","5","","819","829","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005141","12.2851","","12.2851","","4.9505","","90","","90","","120","","647.049","","","","683.15","","","","","","","","","6","P 63","P 6c","173","","","Ellenbergerite","- Al3 H5 Mg3.7 O19 Si4 Ti0.3 -","- Al3 H4.99999 Mg3.7 O19 Si4 Ti0.3 -","- Al6 H9.99998 Mg7.4 O38 Si8 Ti0.6 -","2","0.333333","","Comodi, P.; Zanazzi, P. F.","Structural study of ellenbergerite. Part 1: Effects of high temperature Sample: III, T = 410 deg C","European Journal of Mineralogy","1993","5","","819","829","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005142","12.3184","","12.3184","","4.9674","","90","","90","","120","","652.782","","","","941.15","","","","","","","","","6","P 63","P 6c","173","","","Ellenbergerite","- Al3 H5 Mg3.7 O19 Si4 Ti0.3 -","- Al3 H4.99999 Mg3.7 O19 Si4 Ti0.3 -","- Al6 H9.99998 Mg7.4 O38 Si8 Ti0.6 -","2","0.333333","","Comodi, P.; Zanazzi, P. F.","Structural study of ellenbergerite. Part 1: Effects of high temperature Sample: II, T = 668 deg C","European Journal of Mineralogy","1993","5","","819","829","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005143","12.24","","12.24","","4.925","","90","","90","","120","","638.998","","","","","","","","400000","","","","","9","P 63","P 6c","173","","","Ellenbergerite","- Al3 Fe0.03 H5 Mg3.49 O19 P0.02 Si3.98 Ti0.6 Zr0.02 -","- Al3 Fe0.03 H4.99999 Mg3.49 O19 P0.02 Si3.98 Ti0.6 Zr0.02 -","- Al6 Fe0.06 H9.99998 Mg6.98 O38 P0.04 Si7.96 Ti1.2 Zr0.04 -","2","0.333333","","Comodi, P.; Zanazzi, P. F.","Structural study of ellenbergerite. Part II: Effects of high pressure Sample: I, P = 4 kbar","European Journal of Mineralogy","1993","5","","831","838","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005144","12.16","","12.16","","4.882","","90","","90","","120","","625.166","","","","","","","","3200000","","","","","9","P 63","P 6c","173","","","Ellenbergerite","- Al2.88 Fe0.08 H5 Mg3.89 O19 P0.33 Si3.67 Ti0.2 Zr0.28 -","- Al2.88 Fe0.08 H4.99999 Mg3.89 O19 P0.33 Si3.67 Ti0.2 Zr0.28 -","- Al5.76 Fe0.16 H9.99998 Mg7.78 O38 P0.66 Si7.34 Ti0.4 Zr0.56 -","2","0.333333","","Comodi, P.; Zanazzi, P. F.","Structural study of ellenbergerite. Part II: Effects of high pressure Sample: I, P = 32 kbar","European Journal of Mineralogy","1993","5","","831","838","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005611","12.7558","","12.7558","","5.1985","","90","","90","","120","","732.528","","","","","","","","","","","","","5","P 63","P 6c","173","","","Cancrinite","- Al3 H18.78 Na3.73 O16.77 Si3 -","- Al3 H8.76 Na3.73 O16.77 Si3 -","- Al6 H17.52 Na7.46 O33.54 Si6 -","2","0.333333","","Fechtelkord, M.; Posnatzki, B.; Buhl, J.-C.","Characterization of basic cancrinite synthesized in a butanediol-water system","European Journal of Mineralogy","2003","15","","589","598","10.1127/0935-1221/2003/0015-0589","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005638","12.6216","","12.6216","","5.1293","","90","","90","","120","","707.648","","","","","","","","","","","","Cava Satom, Cameroon","8","P 63","P 6c","173","","","Cancrinite","- C0.713 H3.54 Al3 Ca0.435 Na3.565 O15.279 S0.035 Si3 -","- C0.713 H1.99998 Al3 Ca0.435 Na3.565 O15.279 S0.035 Si3 -","- C1.426 H3.99996 Al6 Ca0.87 Na7.13 O30.558 S0.07 Si6 -","2","0.333333","","Ballirano, P.; Maras, A.","The crystal structure of a ""disordered"" cancrinite","European Journal of Mineralogy","2004","16","","135","141","10.1127/0935-1221/2004/0016-0135","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005742","12.8514","","12.8514","","5.0468","","90","","90","","120","","721.851","","","","","","","","","","","","Synthetic","6","P 63","P 6c","173","","","","- Co3 Cs H1.226 Na3 O13.226 P3 -","- Co3 Cs H1.226 Na3 O13.226 P3 -","- Co6 Cs2 H2.452 Na6 O26.452 P6 -","2","0.333333","","Bieniok, A.; Brendel, U.; Paulus, E. F.; Amthauer, G.","Microporous cobalto- and zincophosphates with the framework-type of cancrinite Sample: CoPO4-CAN","European Journal of Mineralogy","2005","17","","813","818","10.1127/0935-1221/2005/0017-0813","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9005743","12.794","","12.794","","5.066","","90","","90","","120","","718.139","","","","","","","","","","","","Synthetic","6","P 63","P 6c","173","","","","- Cs H0.951 Na3 O12.951 P3 Zn3 -","- Cs H0.951 Na3 O12.951 P3 Zn3 -","- Cs2 H1.902 Na6 O25.902 P6 Zn6 -","2","0.333333","","Bieniok, A.; Brendel, U.; Paulus, E. F.; Amthauer, G.","Microporous cobalto- and zincophosphates with the framework-type of cancrinite Sample: ZnPO4-CAN","European Journal of Mineralogy","2005","17","","813","818","10.1127/0935-1221/2005/0017-0813","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9006343","12.784","","12.784","","5.346","","90","","90","","120","","756.647","","","","293","","","","","","","","","8","P 63","P 6c","173","","","Microsommite","- Al3 Ca Cl1.12 K0.99 Na2.01 O13.76 S0.44 Si3 -","- Al3 Ca Cl1.11999 K0.99 Na2.01 O13.76 S0.44 Si3 -","- Al6 Ca2 Cl2.23998 K1.98 Na4.02 O27.52 S0.88 Si6 -","2","0.333333","","Bonaccorsi, E.; Comodi, P.; Merlino, S.","Thermal behaviour of davyne-group minerals Sample: T = 293 K","Physics and Chemistry of Minerals","1995","22","","367","374","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:14",""
"9006822","7.8563","","7.8563","","9.5642","","90","","90","","120","","511.229","","","","","","","","0","","","","","4","P 63","P 6c","173","","","","- H6 Mg7 O14 Si2 -","- H6 Mg7 O14 Si2 -","- H12 Mg14 O28 Si4 -","2","0.333333","","Kagi, H.; Parise, J. B.; Cho, H.; Rossman, G. R.; Loveday, J. S.","Hydrogen bonding interactions in phase A [Mg7Si2O8(OH)6] at ambient and high pressure Sample: P = 0 GPa","Physics and Chemistry of Minerals","2000","27","","225","233","10.1007/s002690050251","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006823","7.7972","","7.7972","","9.5071","","90","","90","","120","","500.56","","","","","","","","3200000","","","","","4","P 63","P 6c","173","","","","- H6 Mg7 O14 Si2 -","- H6 Mg7 O14 Si2 -","- H12 Mg14 O28 Si4 -","2","0.333333","","Kagi, H.; Parise, J. B.; Cho, H.; Rossman, G. R.; Loveday, J. S.","Hydrogen bonding interactions in phase A [Mg7Si2O8(OH)6] at ambient and high pressure Sample: P = 3.2 GPa","Physics and Chemistry of Minerals","2000","27","","225","233","10.1007/s002690050251","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007014","22.161","","22.161","","5.358","","90","","90","","120","","2278.83","","","","","","","","","","","","","8","P 63","P 6c","173","","","Microsommite","- Al9 Ca3 Cl3 K3.36 Na5.64 O42 S1.5 Si9 -","- Al9 Ca3 Cl2.99997 K3.36 Na5.64 O42 S1.5 Si9 -","- Al18 Ca6 Cl5.99994 K6.72 Na11.28 O84 S3 Si18 -","2","0.333333","","Bonaccorsi, E.; Merlino, S.; Pasero, M.; Macedonio, G.","Microsommite: crystal chemistry, phase transitions, Ising model and Monte Carlo simulations","Physics and Chemistry of Minerals","2001","28","","509","522","10.1007/s002690100179","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:14",""
"9007178","11.022","","11.022","","10.374","","90","","90","","120","","1091.44","","","","130","","","","","","","","unknown","6","P 63","P 6c","173","","","Thaumasite","- C H30 Ca3 O25 S Si -","- C H30 Ca3 O25 S Si -","- C2 H60 Ca6 O50 S2 Si2 -","2","0.333333","","Jacobsen, S. D.; Smyth, J. R.; Swope, R. J.","Thermal expansion of hydrated six-coordinated silicon in thaumasite, Ca3Si(OH)6(CO3)(SO4).12H2O Sample: T = 130 K","Physics and Chemistry of Minerals","2003","30","","321","329","10.1007/s00269-003-0328-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007179","11.0538","","11.0538","","10.4111","","90","","90","","120","","1101.67","","","","298","","","","","","","","unknown","6","P 63","P 6c","173","","","Thaumasite","- C H30 Ca3 O25 S Si -","- C H30 Ca3 O25 S Si -","- C2 H60 Ca6 O50 S2 Si2 -","2","0.333333","","Jacobsen, S. D.; Smyth, J. R.; Swope, R. J.","Thermal expansion of hydrated six-coordinated silicon in thaumasite, Ca3Si(OH)6(CO3)(SO4).12H2O Sample: T = 298 K","Physics and Chemistry of Minerals","2003","30","","321","329","10.1007/s00269-003-0328-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007419","7.8678","","7.8678","","9.5771","","90","","90","","120","","513.418","","","","","","","","","","","","","4","P 63","P 6c","173","","","Topaz","- Fe0.117 Mg6.217 O14 Si2 -","- Fe0.117 Mg6.217 O14 Si2 -","- Fe0.234 Mg12.434 O28 Si4 -","2","0.333333","","Holl, C. M.; Smyth, J. R.; Manghnani, M. H.; Amulele, G. M.; Sekar, M.; Frost, D. J.; Prakapenka, V. B.; Shen, G.","Crystal structure and compression of an iron-bearing Phase A to 33 GPa","Physics and Chemistry of Minerals","2006","33","","192","199","10.1007/s00269-006-0073-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9008243","22.148","","22.148","","4.333","","90","","90","","120","","1840.72","","","","","","","","","","","","","3","P 63","P 6c","173","","","Zinkenite","- Pb4.51 S20.25 Sb10.5 -","- Pb4.51 S20.25 Sb10.5 -","- Pb9.02 S40.5 Sb21 -","2","0.333333","","Portheine, J. C.; Nowacki, W.","Refinement of the crystal structure of zinckenite, Pb6Sb14S27 Sample: Bolivar mine, Cerro Bonete, Bolivia","Zeitschrift fur Kristallographie","1975","141","","79","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9009260","4.433","","4.433","","10.638","","90","","90","","120","","181.045","","","","","","","","","","","","","4","P 63","","","","","Berborite","- B Be2 H3 O5 -","- B Be2 H3 O5 -","- B2 Be4 H6 O10 -","2","0.333333","","Giuseppetti, G.; Mazzi, F.; Tadini, C.; Larsen, A. O.; Asheim, A.; Raade, G.","Berborite polytypes Locality: Saga I larvikite quarry, Morje, Porgrunn, Tvelan District, Norway Sample: 2H polytype Note: anisoU's from ICSD","Neues Jahrbuch fur Mineralogie, Abhandlungen","1990","162","","101","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009322","20.496","","20.496","","8.549","","90","","90","","120","","3110.17","","","","","","","","","","","","Somma-Vesuvius area, Italy","5","P 63","P 6c","173","","","Panunzite","- Al16 K11.47 Na4.53 O64 Si16 -","- Al16 K11.47 Na4.53 O64 Si16 -","- Al32 K22.94 Na9.06 O128 Si32 -","2","0.333333","","Merlino, S.; Franco, E.; Mattia, C. A.; Pasero, M.; De Gennaro, M.","The crystal structure of panunzite (natural tetrakalsilite) Note: x(O7) and y(O11) adjusted to match reported bond lengths","Neues Jahrbuch fur Mineralogie, Monatshefte","1985","1985","","322","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009355","15.339","","15.339","","8.501","","90","","90","","120","","1732.19","","","","","","","","","","","","Near Mt. Nyiragongo, Virunga volcanic field, North Kivu, Zaire","5","P 63","P 6c","173","","","Trikalsilite","- Al3 K2 Na O12 Si3 -","- Al3 K2 Na O12 Si3 -","- Al18 K12 Na6 O72 Si18 -","6","1","","Bonaccorsi, E.; Merlino, S.; Pasero, M.","Trikalsilite: its structural relationships with nepheline and tetraskalsilite","Neues Jahrbuch fur Mineralogie, Monatshefte","1988","1988","","559","567","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9009434","5.161","","5.161","","8.693","","90","","90","","120","","200.525","","","","","","","","","","","","Mt. Nyiragongo, Congo","4","P 63","P 6c","173","","","Kalsilite","- Al K O4 Si -","- Al K O4 Si -","- Al2 K2 O8 Si2 -","2","0.333333","","Perrotta, A. J.; Smith, J. V.","The crystal structure of kalsilite, KAlSiO4 Sample: Refinement with O2 on triad axis","Mineralogical Magazine","1965","35","","588","595","10.1180/minmag.1965.035.272.02","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009435","5.161","","5.161","","8.693","","90","","90","","120","","200.525","","","","","","","","","","","","Mt. Nyiragongo, Congo","4","P 63","P 6c","173","","","Kalsilite","- Al K O4 Si -","- Al K O3.99999 Si -","- Al2 K2 O7.99998 Si2 -","2","0.333333","","Perrotta, A. J.; Smith, J. V.","The crystal structure of kalsilite, KAlSiO4 Sample: Refinement with O2 off triad axis","Mineralogical Magazine","1965","35","","588","595","10.1180/minmag.1965.035.272.02","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009725","5.151","","5.151","","8.69","","90","","90","","120","","199.68","","","","","","","","","","","","","4","P 63","P 6c","173","","","Kalsilite","- Al K O6 Si -","- Al K O6 Si -","- Al2 K2 O12 Si2 -","2","0.333333","","Andou, Y.; Kawahara, A.","The refinement of the structure of synthetic kalsilite Locality: synthetic","Mineralogical Journal","1984","12","","153","161","10.2465/minerj.12.153","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009864","10.28","","10.28","","7","","90","","90","","120","","640.641","","","","","","","","","","","","Langban, Varmland, Sweden","4","P 63","P 6c","173","","","Finnemanite","- As3 Cl O9 Pb5 -","- As3 Cl O9 Pb5 -","- As6 Cl2 O18 Pb10 -","2","0.333333","","Gabrielson, O.","The crystal structure of finnemanite Pb5Cl(AsO3)3","Arkiv for Mineralogi och Geologi","1956","2","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009866","8.155","","8.155","","4.785","","90","","90","","120","","275.588","","","","","","","","","","","","Langban, Sweden","5","P 63","P 6c","173","","","Welinite","- Mg0.3 Mn2.81 O7 Si W0.4 -","- Mg0.3 Mn2.81 O7 Si W0.4 -","- Mg0.6 Mn5.62 O14 Si2 W0.8 -","2","0.333333","","Moore, P. B.","The crystal structure of welinite (Mn+4,W)<1(Mn+2,W,Mg)<3Si(O,OH)7","Arkiv for Mineralogi och Geologi","1969","4","","459","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9010199","12.7228","","12.7228","","5.198","","90","","90","","120","","728.672","","","","","","","","","","","","Latium, Italy","6","P 63","P 6c","173","","","Vishnevite","- Al3 K1.29 Na1.88 O14.62 S0.29 Si3 -","- Al3 K1.29 Na1.88 O14.62 S0.29 Si3 -","- Al6 K2.58 Na3.76 O29.24 S0.58 Si6 -","2","0.333333","","Della Ventura, G.; Bellatreccia, F.; Parodi, G. C.; Camara, F.; Piccinini, M.","Single-crystal FTIR and X-ray study of vishnevite, ideally [Na6(SO4)][Na2(H2O)2](Si6Al6O24) Sample: Pi4","American Mineralogist","2007","92","","713","721","10.2138/am.2007.2197","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010300","9.9995","","9.9995","","8.3766","","90","","90","","120","","725.362","","","","","","","","100","","","","intrusive aplite of Snipe River, Tambani, Nyasaland, Malawi","6","P 63","P 6c","173","","","Nepheline","- Al4 Ca0.03 K0.54 Na3.24 O16 Si4 -","- Al4 Ca0.03 K0.54 Na3.24 O16 Si4 -","- Al8 Ca0.06 K1.08 Na6.48 O32 Si8 -","2","0.333333","","Gatta, G. D.; Angel, R. J.","Elastic behavior and pressure-induced structural evolution of nepheline: Implications for the nature of the modulated superstructure Sample: P = .0001 GPa, in air","American Mineralogist","2007","92","","1446","1455","10.2138/am.2007.2501","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010301","9.991","","9.991","","8.3702","","90","","90","","120","","723.576","","","","","","","","100","","","","intrusive aplite of Snipe River, Tambani, Nyasaland, Malawi","6","P 63","P 6c","173","","","Nepheline","- Al4 Ca0.03 K0.54 Na3.24 O16 Si4 -","- Al4 Ca0.03 K0.54 Na3.24 O16 Si4 -","- Al8 Ca0.06 K1.08 Na6.48 O32 Si8 -","2","0.333333","","Gatta, G. D.; Angel, R. J.","Elastic behavior and pressure-induced structural evolution of nepheline: Implications for the nature of the modulated superstructure Sample: P = .0001 GPa, in DAC","American Mineralogist","2007","92","","1446","1455","10.2138/am.2007.2501","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010302","9.8499","","9.8499","","8.2838","","90","","90","","120","","696.023","","","","","","","","1967000","","","","intrusive aplite of Snipe River, Tambani, Nyasaland, Malawi","6","P 63","P 6c","173","","","Nepheline","- Al4 Ca0.03 K0.54 Na3.24 O16 Si4 -","- Al4 Ca0.03 K0.54 Na3.24 O16 Si4 -","- Al8 Ca0.06 K1.08 Na6.48 O32 Si8 -","2","0.333333","","Gatta, G. D.; Angel, R. J.","Elastic behavior and pressure-induced structural evolution of nepheline: Implications for the nature of the modulated superstructure Sample: P = 1.967 GPa","American Mineralogist","2007","92","","1446","1455","10.2138/am.2007.2501","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010303","9.7178","","9.7178","","8.203","","90","","90","","120","","670.871","","","","","","","","4130000","","","","intrusive aplite of Snipe River, Tambani, Nyasaland, Malawi","6","P 63","P 6c","173","","","Nepheline","- Al4 Ca0.03 K0.54 Na3.24 O16 Si4 -","- Al4 Ca0.03 K0.54 Na3.24 O16 Si4 -","- Al8 Ca0.06 K1.08 Na6.48 O32 Si8 -","2","0.333333","","Gatta, G. D.; Angel, R. J.","Elastic behavior and pressure-induced structural evolution of nepheline: Implications for the nature of the modulated superstructure Sample: P = 4.130 GPa","American Mineralogist","2007","92","","1446","1455","10.2138/am.2007.2501","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010304","9.6189","","9.6189","","8.1423","","90","","90","","120","","652.422","","","","","","","","6108000","","","","intrusive aplite of Snipe River, Tambani, Nyasaland, Malawi","6","P 63","P 6c","173","","","Nepheline","- Al4 Ca0.03 K0.54 Na3.24 O16 Si4 -","- Al4 Ca0.03 K0.54 Na3.24 O16 Si4 -","- Al8 Ca0.06 K1.08 Na6.48 O32 Si8 -","2","0.333333","","Gatta, G. D.; Angel, R. J.","Elastic behavior and pressure-induced structural evolution of nepheline: Implications for the nature of the modulated superstructure Sample: P = 6.108 GPa","American Mineralogist","2007","92","","1446","1455","10.2138/am.2007.2501","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010305","9.5587","","9.5587","","8.1051","","90","","90","","120","","641.338","","","","","","","","7462000","","","","intrusive aplite of Snipe River, Tambani, Nyasaland, Malawi","6","P 63","P 6c","173","","","Nepheline","- Al4 Ca0.03 K0.54 Na3.24 O16 Si4 -","- Al4 Ca0.03 K0.54 Na3.24 O16 Si4 -","- Al8 Ca0.06 K1.08 Na6.48 O32 Si8 -","2","0.333333","","Gatta, G. D.; Angel, R. J.","Elastic behavior and pressure-induced structural evolution of nepheline: Implications for the nature of the modulated superstructure Sample: P = 7.462 GPa","American Mineralogist","2007","92","","1446","1455","10.2138/am.2007.2501","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010306","9.9907","","9.9907","","8.3695","","90","","90","","120","","723.472","","","","","","","","100","","","","intrusive aplite of Snipe River, Tambani, Nyasaland, Malawi","6","P 63","P 6c","173","","","Nepheline","- Al4 Ca0.03 K0.54 Na3.24 O16 Si4 -","- Al4 Ca0.03 K0.54 Na3.24 O16 Si4 -","- Al8 Ca0.06 K1.08 Na6.48 O32 Si8 -","2","0.333333","","Gatta, G. D.; Angel, R. J.","Elastic behavior and pressure-induced structural evolution of nepheline: Implications for the nature of the modulated superstructure Sample: P = .0001 GPa, in air after decompression","American Mineralogist","2007","92","","1446","1455","10.2138/am.2007.2501","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010878","11.0575","","11.0575","","10.4163","","90","","90","","120","","1102.96","","","","303","","","","","","","","","6","P 63","P 6c","173","","","Thaumasite","- C H30 Ca3 O25 S Si -","- C H30 Ca3 O25 S Si -","- C2 H60 Ca6 O50 S2 Si2 -","2","0.333333","","Martucci, A.; Cruciani, G.","In situ time resolved synchrotron powder diffraction study of thaumasite Sample: T = 303 K","Physics and Chemistry of Minerals","2006","33","","723","731","10.1007/s00269-006-0124-8","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010879","11.0825","","11.0825","","10.4447","","90","","90","","120","","1110.97","","","","413","","","","","","","","","6","P 63","P 6c","173","","","Thaumasite","- C H18 Ca3 O24.67 S Si -","- C H29.34 Ca3 O24.67 S Si -","- C2 H58.68 Ca6 O49.34 S2 Si2 -","2","0.333333","","Martucci, A.; Cruciani, G.","In situ time resolved synchrotron powder diffraction study of thaumasite Sample: T = 413 K","Physics and Chemistry of Minerals","2006","33","","723","731","10.1007/s00269-006-0124-8","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9011100","11.06","","11.06","","10.5","","90","","90","","120","","1112.32","","","","","","","","","","","","Tachgagalt mine, Morocco","6","P 63","P 6c","173","","","Jouravskite","- C H30 Ca3 Mn O25 S -","- C H30 Ca3 Mn O25 S -","- C2 H60 Ca6 Mn2 O50 S2 -","2","0.333333","","Granger, M. M.; Protas, J.","Determination et etude de la structure cristalline de la jouravskite Ca3MnIV(SO4)(CO3)(OH)*12(H2O)","Acta Crystallographica, Section B","1969","25","","1943","1951","10.1107/S0567740869005000","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011774","18.429","","18.429","","8.599","","90","","90","","120","","2529.19","","","","","","","","","","","","Synthetic","4","P 63","P 6c","173","","","","- Al Ge K O4 -","- Al24 Ge24 K24 O96 -","- Al24 Ge24 K24 O96 -","","","","Sandomirskii, P. A.; Meshalkin, S. S.; Rozhdestvenskaya, I. V.; Dem'yanets, L. N.; Uvarova, T. G.","Crystal structures of the D-phase of K(AlGeO4) and the C-phase of Na(AlGeO4) match reported bond lengths Note: z coordinate of O23 changed from .2859 to .2598 to match reported bond lengths Note: y coordinate of O31 changed from .5328 to .5388 to match reported bond lengths","Kristallografiya","1986","31","","522","527","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:58",""
"9012083","22.12","","22.12","","4.32","","90","","90","","120","","1830.56","","","","","","","","","","","","Oruro, Bolivia","3","P 63","P 6c","173","","","Zinkenite","- Pb1.6 S7 Sb3.4 -","- Pb9.6 S42 Sb20.4 -","- Pb9.6 S42 Sb20.4 -","","","","Lebas, G.; le Bihan, M. T.","Etude chimique et structurale d'un sulfure naturel: la zinckenite","Bulletin de Mineralogie","1976","99","","351","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:27:40",""
"9012816","13.42","","13.42","","14.32","","90","","90","","120","","2233.46","","","","","","","","","","","","Franklin, New Jersey","5","P 63","P 6c","173","","","Schallerite","- As3 H17 Mn16 O57 Si12 -","- As3 H17 Mn16 O57 Si12 -","- As6 H34 Mn32 O114 Si24 -","2","0.333333","","Kato, T.; Watanabe, I.","The crystal structures of schallerite and friedelite","Yamaguchi University, College of Arts Bulletin","1992","26","","51","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9013311","9.982","","9.982","","8.367","","90","","90","","120","","721.997","","","","110","","","","","","","","Snipe River, Tambani, Malawi","5","P 63","P 6c","173","","","Nepheline","- Al3.84 K0.57 Na3.24 O16 Si4.16 -","- Al7.68 K1.14 Na6.48 O32 Si8.32 -","- Al7.68 K1.14 Na6.48 O32 Si8.32 -","","","","Angel, R. J.; Gatta, G. C.; Boffa Ballaran, T.; Carpenter, M. A.","The mechanism of coupling in the modulated structure of nepheline Note: natural sample Note: T = 110 K","The Canadian Mineralogist","2008","46","","1465","1476","10.3749/canmin.46.6.1465","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:29",""
"9013312","9.989","","9.989","","8.3687","","90","","90","","120","","723.157","","","","200","","","","","","","","Snipe River, Tambani, Malawi","5","P 63","P 6c","173","","","Nepheline","- Al3.84 K0.57 Na3.24 O16 Si4.16 -","- Al7.68 K1.14 Na6.48 O32 Si8.32 -","- Al7.68 K1.14 Na6.48 O32 Si8.32 -","","","","Angel, R. J.; Gatta, G. C.; Boffa Ballaran, T.; Carpenter, M. A.","The mechanism of coupling in the modulated structure of nepheline Note: natural sample Note: T = 200 K","The Canadian Mineralogist","2008","46","","1465","1476","10.3749/canmin.46.6.1465","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:29",""
"9013313","9.9995","","9.9995","","8.3766","","90","","90","","120","","725.362","","","","290","","","","","","","","Snipe River, Tambani, Malawi","5","P 63","P 6c","173","","","Nepheline","- Al3.84 K0.57 Na3.24 O16 Si4.16 -","- Al7.68 K1.14 Na6.48 O32 Si8.32 -","- Al7.68 K1.14 Na6.48 O32 Si8.32 -","","","","Angel, R. J.; Gatta, G. C.; Boffa Ballaran, T.; Carpenter, M. A.","The mechanism of coupling in the modulated structure of nepheline Note: natural sample Note: T = 290 K","The Canadian Mineralogist","2008","46","","1465","1476","10.3749/canmin.46.6.1465","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:29",""
"9013314","9.9751","","9.9751","","8.3658","","90","","90","","120","","720.896","","","","220","","","","","","annealed Note: T = 220 K","","Snipe River, Tambani, Malawi","5","P 63","P 6c","173","","","Nepheline","- Al3.84 K0.57 Na3.24 O16 Si4.16 -","- Al7.68 K1.14 Na6.48 O32 Si8.32 -","- Al7.68 K1.14 Na6.48 O32 Si8.32 -","","","","Angel, R. J.; Gatta, G. C.; Boffa Ballaran, T.; Carpenter, M. A.","The mechanism of coupling in the modulated structure of nepheline Note: annealed Note: T = 220 K","The Canadian Mineralogist","2008","46","","1465","1476","10.3749/canmin.46.6.1465","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:29",""
"9013315","9.9698","","9.9698","","8.3615","","90","","90","","120","","719.76","","","","150","","","","","","annealed Note: T = 150 K","","Snipe River, Tambani, Malawi","5","P 63","P 6c","173","","","Nepheline","- Al3.84 K0.57 Na3.24 O16 Si4.16 -","- Al7.68 K1.14 Na6.48 O32 Si8.32 -","- Al7.68 K1.14 Na6.48 O32 Si8.32 -","","","","Angel, R. J.; Gatta, G. C.; Boffa Ballaran, T.; Carpenter, M. A.","The mechanism of coupling in the modulated structure of nepheline Note: annealed Note: T = 150 K","The Canadian Mineralogist","2008","46","","1465","1476","10.3749/canmin.46.6.1465","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:29",""
"9013316","9.9685","","9.9685","","8.3608","","90","","90","","120","","719.512","","","","100","","","","","","annealed Note: T = 100 K","","Snipe River, Tambani, Malawi","5","P 63","P 6c","173","","","Nepheline","- Al3.84 K0.57 Na3.24 O16 Si4.16 -","- Al7.68 K1.14 Na6.48 O32 Si8.32 -","- Al7.68 K1.14 Na6.48 O32 Si8.32 -","","","","Angel, R. J.; Gatta, G. C.; Boffa Ballaran, T.; Carpenter, M. A.","The mechanism of coupling in the modulated structure of nepheline Note: annealed Note: T = 100 K","The Canadian Mineralogist","2008","46","","1465","1476","10.3749/canmin.46.6.1465","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:29",""
"9013317","9.9801","","9.9801","","8.3707","","90","","90","","120","","722.042","","","","15","","","","","","annealed Note: T = 15 K","","Snipe River, Tambani, Malawi","5","P 63","P 6c","173","","","Nepheline","- Al3.84 K0.57 Na3.24 O16 Si4.16 -","- Al7.68 K1.14 Na6.48 O32 Si8.32 -","- Al7.68 K1.14 Na6.48 O32 Si8.32 -","","","","Angel, R. J.; Gatta, G. C.; Boffa Ballaran, T.; Carpenter, M. A.","The mechanism of coupling in the modulated structure of nepheline Note: annealed Note: T = 15 K","The Canadian Mineralogist","2008","46","","1465","1476","10.3749/canmin.46.6.1465","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:29",""
"9013318","9.9867","","9.9861","","8.3697","","90","","90","","120","","722.867","","","","298","","","","","","annealed Note: T = 298 K","","Snipe River, Tambani, Malawi","5","P 63","P 6c","173","","","Nepheline","- Al3.84 K0.57 Na3.24 O16 Si4.16 -","- Al7.68 K1.14 Na6.48 O32 Si8.32 -","- Al7.68 K1.14 Na6.48 O32 Si8.32 -","","","","Angel, R. J.; Gatta, G. C.; Boffa Ballaran, T.; Carpenter, M. A.","The mechanism of coupling in the modulated structure of nepheline Note: annealed Note: T = 298 K","The Canadian Mineralogist","2008","46","","1465","1476","10.3749/canmin.46.6.1465","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:29",""
"9013471","11.347","","11.347","","5.935","","90","","90","","120","","661.78","","","","","","","","","","","","","5","P 63","P 6c","173","","","Lecoqite-(Y)","- C3 H12 Na3 O15 Y -","- C6 H24 Na6 O30 Y2 -","- C6 H24 Na6 O30 Y2 -","","","","Ben Ali, A.; Awaleh, M. O.; Leblanc, M.; Smiri, L. S.; Maisonneuve, V.; Houlbert, S.","Hydrothermal sythesis, crystal structure, thermal behaviour, IR and Raman spectroscopy of Na3Y(CO3)3*6H2O Locality: synthetic","Comptes Rendus Chimie","2004","7","","661","668","10.1016/j.crci.2004.03.007","","","","","","","","","","","","","","","","","","","","","has coordinates","176465","2020-10-21","18:00:00",""
"9013817","9.99567","","9.99567","","8.37777","","90","","90","","120","","724.908","","","","","","","","","","","","Egan Chute, Bancroft area, Ontario, Canada","6","P 63","P 6c","173","","","Nepheline","- Al4 Ca0.12 K0.716 Na2.88 O16 Si4 -","- Al8 Ca0.24 K1.432 Na5.76 O32 Si8 -","- Al8 Ca0.24 K1.432 Na5.76 O32 Si8 -","","","","Antao, S. M.; Hassan, I.","Nepheline: structure of three samples from the Bancroft area, Ontario, obtained using synchrotron high-resolution powder x-ray diffraction Sample: 1b","The Canadian Mineralogist","2010","48","","69","80","10.3749/canmin.48.1.69","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9013818","10.00215","","10.00215","","8.38742","","90","","90","","120","","726.684","","","","","","","","","","","","Nephton, Bancroft area, Ontario, Canada","5","P 63","P 6c","173","","","Nepheline","- Al4 K0.92 Na3 O16 Si4 -","- Al8 K1.84 Na6 O32 Si8 -","- Al8 K1.84 Na6 O32 Si8 -","","","","Antao, S. M.; Hassan, I.","Nepheline: structure of three samples from the Bancroft area, Ontario, obtained using synchrotron high-resolution powder x-ray diffraction Sample: 2","The Canadian Mineralogist","2010","48","","69","80","10.3749/canmin.48.1.69","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9013819","9.99567","","9.99567","","8.37873","","90","","90","","120","","724.991","","","","","","","","","","","","Davis Hill, Bancroft area, Ontario, Canada","5","P 63","P 6c","173","","","Nepheline","- Al4 K0.778 Na3 O18 Si2 -","- Al8 K1.556 Na6 O36 Si3.99998 -","- Al8 K1.556 Na6 O36 Si3.99998 -","","","","Antao, S. M.; Hassan, I.","Nepheline: structure of three samples from the Bancroft area, Ontario, obtained using synchrotron high-resolution powder x-ray diffraction Sample: 3","The Canadian Mineralogist","2010","48","","69","80","10.3749/canmin.48.1.69","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9013893","10.164","","10.164","","8.54","","90","","90","","120","","764.043","","","","","","","","","","","","Synthetic","5","P 63","P 6c","173","","","","- Al3.88 Ge4.12 K0.76 Na3.12 O16 -","- Al3.88 Ge4.12 K0.76 Na3.12 O16 -","- Al7.76 Ge8.24 K1.52 Na6.24 O32 -","2","0.333333","","Hammond, R. P.; Barbier, J.","Monoclinic and hexagonal nepheline structures of (Na3/4K1/4)AlGeO4 Note: hexagonal nepheline","Acta Crystallographica, Section B","1998","54","3","211","220","10.1107/S0108768197013177","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9013981","9.485","","9.485","","7","","90","","90","","120","","545.385","","","","","","","","","","","","Khibini alkaline massif, Kola Peninsula, Russia","8","P 63","P 6c","173","","","Deloneite","- Ca3.3 Ce0.3 F0.667 H0.333 Na0.3 O12.333 P3 Sr1.1 -","- Ca3.3 Ce0.3 F0.66667 H0.33333 Na0.3 O12.3333 P3 Sr1.1 -","- Ca6.6 Ce0.6 F1.33334 H0.66666 Na0.6 O24.6667 P6 Sr2.2 -","2","0.333333","","Rastsvetaeva, R. K.; Khomyakov, A. P.","Structural features of a new naturally occurring representative of the fluorapatite-deloneite series","Crystallography Reports","1996","41","","789","792","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46",""
"9013987","12.688","","12.688","","5.189","","90","","90","","120","","723.437","","","","","","","","","","","","","8","P 63","P 6c","173","","","Cancrinite","- C0.5 H6 Al3 Ca0.03 K0.18 Na3.53 O14.25 Si3 -","- C0.5 H1.5 Al3 Ca0.03 K0.18 Na3.53 O14.25 Si3 -","- C H3 Al6 Ca0.06 K0.36 Na7.06 O28.5 Si6 -","2","0.333333","","Rozenberg, K. A.; Rastsvetaeva, R. K.; Chukanov, N. V.","Crystal structures of oxalate-bearing cancrinite with an unusual arrangement of CO3 groups and sulfate-rich davyne Locality: Kovdor massif, Kola Peninsula, Russia Note: Enraf Nonius diffractometer","Crystallography Reports","2009","54","","793","799","10.1134/S1063774509050101","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9013988","12.688","","12.688","","5.189","","90","","90","","120","","723.437","","","","","","","","","","","","","8","P 63","P 6c","173","","","Cancrinite","- C0.5 H6 Al3 Ca0.04 K0.15 Na3.58 O14.25 Si3 -","- C0.5 H1.5 Al3 Ca0.04 K0.15 Na3.58 O14.25 Si3 -","- C H3 Al6 Ca0.08 K0.3 Na7.16 O28.5 Si6 -","2","0.333333","","Rozenberg, K. A.; Rastsvetaeva, R. K.; Chukanov, N. V.","Crystal structures of oxalate-bearing cancrinite with an unusual arrangement of CO3 groups and sulfate-rich davyne Locality: Kovdor massif, Kola Peninsula, Russia Note: Bruker SMART CCD diffractometer","Crystallography Reports","2009","54","","793","799","10.1134/S1063774509050101","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9013989","12.773","","12.773","","5.334","","90","","90","","120","","753.65","","","","","","","","","","","","Sar-e Sang mine, Badakhshan, Afghanistan","8","P 63","P 6c","173","","","Davyne","- Al3 Ca Cl K0.39 Na2.61 O14 S0.5 Si3 -","- Al6 Ca2 Cl2 K0.78 Na5.22 O28 S Si6 -","- Al6 Ca2 Cl2 K0.78 Na5.22 O28 S Si6 -","","","","Rozenberg, K. A.; Rastsvetaeva, R. K.; Chukanov, N. V.","Crystal structures of oxalate-bearing cancrinite with an unusual arrangement of CO3 groups and sulfate-rich davyne","Crystallography Reports","2009","54","","793","799","10.1134/S1063774509050101","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:33:10",""
"9013991","9.63","","9.63","","7.22","","90","","90","","120","","579.856","","","","","","","","","","","","","5","P 63","P 6c","173","","","Fluorstrophite","- Ca2 F O12 P3 Sr3 -","- Ca3.99998 F2 O24 P6 Sr6.00002 -","- Ca3.99998 F2 O24 P6 Sr6.00002 -","","","","Klevtsova, R. F.","The crystal structure of strontium-apatite","Journal of Structural Chemistry","1964","5","","318","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:33:12",""
"9014011","12.24","","12.24","","4.843","","90","","90","","120","","628.359","","","","","","","","","","","","Cameroun","7","P 63","P 6c","173","","","Cancrinite","- C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C0.88 H1.99998 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C1.76 H3.99996 Al6 Ca0.876 Na7.044 O31.28 Si6 -","2","0.333333","","Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.","High-pressure study of a natural cancrinite Note: P = 6.63 GPa","American Mineralogist","2012","97","","872","882","10.2138/am.2012.4039","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9014015","12.627","","12.627","","5.136","","90","","90","","120","","709.179","","","","","","","","","","","","Vishnevye Mountains","7","P 63","P 6c","173","","","Cancrinite","- C0.85 H1.998 Al2.82 Ca0.51 Na3.49 O15.549 Si3.18 -","- C0.85 H1.998 Al2.82 Ca0.51 Na3.49 O15.549 Si3.18 -","- C1.7 H3.996 Al5.64 Ca1.02 Na6.98 O31.098 Si6.36 -","2","0.333333","","Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E.","Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# ggm44331","The Canadian Mineralogist","2012","49","","1129","1150","10.3749/canmin.49.5.1129","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9014390","11.036","","11.036","","10.3845","","90","","90","","120","","1095.32","","","","","","","","","","","","Synthetic","6","P 63","P 6c","173","","","Thaumasite","- C H30 Ca3 O25 S Si -","- C2 H60 Ca6 O50 S2 Si2 -","- C2 H60 Ca6 O50 S2 Si2 -","","","","Gatta, G. D.; McIntyre, G. J.; Swanson, J. G.; Jacobsen, S. D.","Minerals in cement chemistry: A single-crystal neutron diffraction and Raman spectroscopic study of thaumasite, Ca3Si(OH)6(CO3)(SO4)*12H2O Note: T = 22.5 K","American Mineralogist","2012","97","","1060","1069","10.2138/am.2012.4058","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014440","12.606","","12.606","","5.118","","90","","90","","120","","704.345","","","","","","","","","","","","Kovdor","7","P 63","P 6c","173","","","Cancrinite","- C0.722 H1.998 Al2.67 Ca0.09 Na3.91 O15.165 Si3.33 -","- C0.722 H1.998 Al2.67 Ca0.09 Na3.91 O15.165 Si3.33 -","- C1.444 H3.996 Al5.34 Ca0.18 Na7.82 O30.33 Si6.66 -","2","0.333333","","Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E.","Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# Kovd5","The Canadian Mineralogist","2012","49","","1129","1150","10.3749/canmin.49.5.1129","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014441","5.5472","","5.5472","","14.296","","90","","90","","120","","380.972","","","","","","","","","","","","N'chwaning 2 mine, Kalahari manganese field, South Africa","6","P 63","P 6c","173","","","Guidottiite","- Fe1.656 H4 Mg0.537 Mn1.854 O9 Si0.953 -","- Fe1.656 H4 Mg0.537 Mn1.854 O9 Si0.953 -","- Fe3.312 H8 Mg1.074 Mn3.708 O18 Si1.906 -","2","0.333333","","Wahle, M. W.; Bujnowski, T. J.; Guggenheim, S.; Kogure, T.","Guidottiite, the Mn-analogue of cronstedtite: A new serpentine-group mineral from South Africa","Clays and Clay Minerals","2010","58","","364","376","10.1346/CCMN.2010.0580307","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014495","11.106","","11.106","","10.492","","90","","90","","120","","1120.74","","","","","","","","","","","","Graulay basalt quarry, Hillesheim, Eifel Mountains, Germany","4","P 63","P 6c","173","","","Hielscherite","- Ca3 O25 S2 Si -","- Ca6 O42 Os8 S4 Si2 -","- Ca6 O42 Os8 S4 Si2 -","","","","Pekov, I. V.; Chukanov, N. V.; Britvin, S. N.; Kabalov, Y. K.; Gottlicher, J.; Yapaskurt, V. O.; Zadov, A. E.; Krivovichev, S. V.; Schuller, W.; Ternes, B.","The sulfite anion in ettringite-group minerals: a new mineral species hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite solid-solution series Note: sample G-3231, single crystal","Mineralogical Magazine","2012","76","","1133","1152","10.1180/minmag.2012.076.5.06","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014534","12.58","","12.58","","5.058","","90","","90","","120","","693.219","","","","","","","","","","","","Cameroun","7","P 63","P 6c","173","","","Cancrinite","- C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C0.88 H1.99998 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C1.76 H3.99996 Al6 Ca0.876 Na7.044 O31.28 Si6 -","2","0.333333","","Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.","High-pressure study of a natural cancrinite Note: P = 0.76 GPa","American Mineralogist","2012","97","","872","882","10.2138/am.2012.4039","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9014642","12.618","","12.618","","5.144","","90","","90","","120","","709.272","","","","","","","","","","","","Tamazeght","7","P 63","P 6c","173","","","Cancrinite","- C0.721 H1.998 Al2.76 Ca0.45 Na3.31 O15.162 Si3.24 -","- C0.721 H1.998 Al2.76 Ca0.45 Na3.31 O15.162 Si3.24 -","- C1.442 H3.996 Al5.52 Ca0.9 Na6.62 O30.324 Si6.48 -","2","0.333333","","Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E.","Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# tz5/1","The Canadian Mineralogist","2012","49","","1129","1150","10.3749/canmin.49.5.1129","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014648","12.53","","12.53","","5.072","","90","","90","","120","","689.623","","","","","","","","","","","","Cameroun","7","P 63","P 6c","173","","","Cancrinite","- C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C0.88 H1.99998 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C1.76 H3.99996 Al6 Ca0.876 Na7.044 O31.28 Si6 -","2","0.333333","","Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.","High-pressure study of a natural cancrinite Note: P = 0.99 GPa","American Mineralogist","2012","97","","872","882","10.2138/am.2012.4039","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9014722","12.618","","12.618","","5.116","","90","","90","","120","","705.411","","","","","","","","","","","","Khibiny","7","P 63","P 6c","173","","","Cancrinite","- C0.736 H1.998 Al2.79 Ca0.27 Na3.7 O15.207 Si3.21 -","- C0.736 H1.998 Al2.79 Ca0.27 Na3.7 O15.207 Si3.21 -","- C1.472 H3.996 Al5.58 Ca0.54 Na7.4 O30.414 Si6.42 -","2","0.333333","","Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E.","Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# 11/1","The Canadian Mineralogist","2012","49","","1129","1150","10.3749/canmin.49.5.1129","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014800","12.386","","12.386","","4.954","","90","","90","","120","","658.186","","","","","","","","","","","","Cameroun","7","P 63","P 6c","173","","","Cancrinite","- C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C0.88 H1.99998 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C1.76 H3.99996 Al6 Ca0.876 Na7.044 O31.28 Si6 -","2","0.333333","","Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.","High-pressure study of a natural cancrinite Note: P = 3.59 GPa","American Mineralogist","2012","97","","872","882","10.2138/am.2012.4039","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9014819","12.62","","12.62","","5.083","","90","","90","","120","","701.083","","","","","","","","","","","","Cameroun","7","P 63","P 6c","173","","","Cancrinite","- C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C0.88 H1.99998 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C1.76 H3.99996 Al6 Ca0.876 Na7.044 O31.28 Si6 -","2","0.333333","","Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.","High-pressure study of a natural cancrinite Note: P = 0.0001 GPa (P-DAC)","American Mineralogist","2012","97","","872","882","10.2138/am.2012.4039","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9014899","12.266","","12.266","","4.864","","90","","90","","120","","633.768","","","","","","","","","","","","Cameroun","7","P 63","P 6c","173","","","Cancrinite","- C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C0.88 H1.99998 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C1.76 H3.99996 Al6 Ca0.876 Na7.044 O31.28 Si6 -","2","0.333333","","Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.","High-pressure study of a natural cancrinite Note: P = 6.16 GPa","American Mineralogist","2012","97","","872","882","10.2138/am.2012.4039","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9014904","12.617","","12.617","","5.129","","90","","90","","120","","707.091","","","","","","","","","","","","Ilmeny Mountains, southern Urals, Russia","7","P 63","P 6c","173","","","Cancrinite","- C0.771 H1.998 Al2.91 Ca0.6 Na3.255 O15.312 Si3.09 -","- C0.771 H1.998 Al2.91 Ca0.6 Na3.255 O15.312 Si3.09 -","- C1.542 H3.996 Al5.82 Ca1.2 Na6.51 O30.624 Si6.18 -","2","0.333333","","Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E.","Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# mmf28962","The Canadian Mineralogist","2012","49","","1129","1150","10.3749/canmin.49.5.1129","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015198","12.514","","12.514","","5.034","","90","","90","","120","","682.71","","","","","","","","","","","","Cameroun","7","P 63","P 6c","173","","","Cancrinite","- C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C0.88 H1.99998 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C1.76 H3.99996 Al6 Ca0.876 Na7.044 O31.28 Si6 -","2","0.333333","","Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.","High-pressure study of a natural cancrinite Note: P = 1.39 GPa","American Mineralogist","2012","97","","872","882","10.2138/am.2012.4039","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9015276","12.75","","12.75","","5.14","","90","","90","","120","","723.626","","","","","","","","","","","","Litchfield, USA","8","P 63","P 6c","173","","","Cancrinite","- C0.74 H2.46 Al3 Ca0.44 Fe0.04 Na3.16 O15.45 Si3 -","- C0.74 H2.46 Al3 Ca0.44 Fe0.04 Na3.16 O15.45 Si3 -","- C1.48 H4.92 Al6 Ca0.88 Fe0.08 Na6.32 O30.9 Si6 -","2","0.333333","","Jarchow, O.","Atomanordnung und Strukturverfeinerung von Cancrinit","Zeitschrift fur Kristallographie","1965","122","","407","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015284","12.447","","12.447","","5.006","","90","","90","","120","","671.662","","","","","","","","","","","","Cameroun","7","P 63","P 6c","173","","","Cancrinite","- C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C0.88 H1.99998 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C1.76 H3.99996 Al6 Ca0.876 Na7.044 O31.28 Si6 -","2","0.333333","","Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.","High-pressure study of a natural cancrinite Note: P = 2.33 GPa","American Mineralogist","2012","97","","872","882","10.2138/am.2012.4039","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9015316","12.625","","12.625","","5.122","","90","","90","","120","","707.022","","","","","","","","","","","","Tamazeght","7","P 63","P 6c","173","","","Cancrinite","- C0.767 H1.998 Al2.82 Ca0.6 Na3.155 O15.3 Si3.18 -","- C0.767 H1.998 Al2.82 Ca0.6 Na3.155 O15.3 Si3.18 -","- C1.534 H3.996 Al5.64 Ca1.2 Na6.31 O30.6 Si6.36 -","2","0.333333","","Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E.","Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# tz3/1","The Canadian Mineralogist","2012","49","","1129","1150","10.3749/canmin.49.5.1129","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015468","12.695","","12.695","","5.325","","90","","90","","120","","743.217","","","","","","","","","","","","Monte Somma, Italy","9","P 63","P 6c","173","","","Balliranoite","- C0.45 Al3 Ca1.246 Cl K0.366 Na2.388 O13.95 S0.15 Si3 -","- C0.45 Al3 Ca1.246 Cl K0.366 Na2.388 O13.95 S0.15 Si3 -","- C0.9 Al6 Ca2.492 Cl2 K0.732 Na4.776 O27.9 S0.3 Si6 -","2","0.333333","","Chukanov, N. V.; Zubkova, N. V.; Pekov, I. V.; Olysych, L. V.; Bonaccorsi, E.; Pushcharovsky, D. Y.","Balliranoite, (Na,K)6Ca2(Si6Al6O24)Cl2(CO3), a new cancrinite-group mineral from Monte Somma - Vesuvio volcanic complex, Italy","European Journal of Mineralogy","2010","22","","113","119","10.1127/0935-1221/2010/0022-1983","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9015537","12.322","","12.322","","4.905","","90","","90","","120","","644.959","","","","","","","","","","","","Cameroun","7","P 63","P 6c","173","","","Cancrinite","- C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C0.88 H1.99998 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C1.76 H3.99996 Al6 Ca0.876 Na7.044 O31.28 Si6 -","2","0.333333","","Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.","High-pressure study of a natural cancrinite Note: P = 5.00 GPa","American Mineralogist","2012","97","","872","882","10.2138/am.2012.4039","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9015553","12.683","","12.683","","5.19","","90","","90","","120","","723.006","","","","","","","","","","","","Kovdor","7","P 63","P 6c","173","","","Cancrinite","- C0.437 H1.998 Al2.67 K0.15 Na3.43 O14.31 Si3.33 -","- C0.437 H1.998 Al2.67 K0.15 Na3.43 O14.31 Si3.33 -","- C0.874 H3.996 Al5.34 K0.3 Na6.86 O28.62 Si6.66 -","2","0.333333","","Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E.","Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# Kovd15/1","The Canadian Mineralogist","2012","49","","1129","1150","10.3749/canmin.49.5.1129","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015706","11.1178","","11.1178","","10.5381","","90","","90","","120","","1128.06","","","","","","","","","","","","Graulay basalt quarry, Hillesheim, Eifel Mountains, Germany","6","P 63","P 6c","173","","","Hielscherite","- C0.39 Al0.3 Ca3 O25 S1.57 Si0.7 -","- C0.78 Al0.6 Ca6 O42 Os8 S3.14 Si1.4 -","- C0.78 Al0.6 Ca6 O42 Os8 S3.14 Si1.4 -","","","","Pekov, I. V.; Chukanov, N. V.; Britvin, S. N.; Kabalov, Y. K.; Gottlicher, J.; Yapaskurt, V. O.; Zadov, A. E.; Krivovichev, S. V.; Schuller, W.; Ternes, B.","The sulfite anion in ettringite-group minerals: a new mineral species hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite solid-solution series Note: sample G-3049, powder","Mineralogical Magazine","2012","76","","1133","1152","10.1180/minmag.2012.076.5.06","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016053","11.07","","11.07","","10.4397","","90","","90","","120","","1107.93","","","","","","","","","","","","Zeilberg basalt quarry, Maroldsweisach, Franconia, Bavaria","5","P 63","P 6c","173","","","Thaumasite","- C0.5 Ca3 O25 S1.27 Si -","- C Ca6 O42 Os8 S2.54 Si2 -","- C Ca6 O42 Os8 S2.54 Si2 -","","","","Pekov, I. V.; Chukanov, N. V.; Britvin, S. N.; Kabalov, Y. K.; Gottlicher, J.; Yapaskurt, V. O.; Zadov, A. E.; Krivovichev, S. V.; Schuller, W.; Ternes, B.","The sulfite anion in ettringite-group minerals: a new mineral species hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite solid-solution series Note: sample Zb-01, single crystal","Mineralogical Magazine","2012","76","","1133","1152","10.1180/minmag.2012.076.5.06","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016142","5.908","","5.908","","15.09","","90","","90","","120","","456.143","","","","","","","","","","","","","4","P 63","P 6c","173","","","","- Na2 O11 P Te -","- Na4 O22 P2 Te2 -","- Na4 O22 P2 Te2 -","","","","Durif, A.; Averbuch-Pouchot, M. T.; Guitel, J. C.","Structures de deux phosphotellurates. Te(OH)6((NH4)2HPO4)2 and Te(OH)6(Na2HPO4)(H2O)","Acta Crystallographica, Section B","1979","35","6","1444","1447","10.1107/S056774087900666X","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016287","16.581","","16.581","","7.348","","90","","90","","120","","1749.53","","","","","","","","","","","","coal dumps of the Chelyabinsk coal basin, Russia","4","P 63","P 6c","173","","","Perkovaite","- Ca3 Mg4 O24 S6 -","- Ca12 Mg16 O96 S24 -","- Ca12 Mg16 O96 S24 -","","","","Krivovichev, S. V.; Shcherbakova, E. P.; Nishanbaev, T. P.","The crystal structure of beta-CaMg2(SO4)3, a mineral phase from coal dumps of the Chelyabinsk coal basin, Russia","The Canadian Mineralogist","2010","48","","1469","1475","10.3749/canmin.48.5.1469","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016353","12.607","","12.607","","5.111","","90","","90","","120","","703.493","","","","","","","","","","","","Khibiny","7","P 63","P 6c","173","","","Cancrinite","- C0.736 H1.998 Al2.7 Ca0.21 Na3.73 O15.207 Si3.3 -","- C0.736 H1.998 Al2.7 Ca0.21 Na3.73 O15.207 Si3.3 -","- C1.472 H3.996 Al5.4 Ca0.42 Na7.46 O30.414 Si6.6 -","2","0.333333","","Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E.","Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# kir2343","The Canadian Mineralogist","2012","49","","1129","1150","10.3749/canmin.49.5.1129","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016482","11.0545","","11.0545","","10.4131","","90","","90","","120","","1102.02","","","","","","","","","","","","Synthetic","6","P 63","P 6c","173","","","Thaumasite","- C H30 Ca3 O25 S Si -","- C2 H60 Ca6 O50 S2 Si2 -","- C2 H60 Ca6 O50 S2 Si2 -","","","","Gatta, G. D.; McIntyre, G. J.; Swanson, J. G.; Jacobsen, S. D.","Minerals in cement chemistry: A single-crystal neutron diffraction and Raman spectroscopic study of thaumasite, Ca3Si(OH)6(CO3)(SO4)*12H2O Note: T = 301 K","American Mineralogist","2012","97","","1060","1069","10.2138/am.2012.4058","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016551","12.278","","12.278","","4.876","","90","","90","","120","","636.575","","","","","","","","","","","","Cameroun","7","P 63","P 6c","173","","","Cancrinite","- C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C0.88 H1.99998 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C1.76 H3.99996 Al6 Ca0.876 Na7.044 O31.28 Si6 -","2","0.333333","","Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.","High-pressure study of a natural cancrinite Note: P = 5.73 GPa","American Mineralogist","2012","97","","872","882","10.2138/am.2012.4039","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9016575","12.5976","","12.5976","","5.1168","","90","","90","","120","","703.242","","","","","","","","","","","","Cameroun","7","P 63","P 6c","173","","","Cancrinite","- C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C0.88 H1.99998 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C1.76 H3.99996 Al6 Ca0.876 Na7.044 O31.28 Si6 -","2","0.333333","","Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.","High-pressure study of a natural cancrinite Note: P = 0.0001 GPa (P-AIR)","American Mineralogist","2012","97","","872","882","10.2138/am.2012.4039","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9016613","12.613","","12.613","","5.124","","90","","90","","120","","705.954","","","","","","","","","","","","Dakhuunur","7","P 63","P 6c","173","","","Cancrinite","- C0.805 H1.998 Al2.91 Ca0.81 Na2.915 O15.414 Si3.09 -","- C0.805 H1.998 Al2.91 Ca0.81 Na2.915 O15.414 Si3.09 -","- C1.61 H3.996 Al5.82 Ca1.62 Na5.83 O30.828 Si6.18 -","2","0.333333","","Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E.","Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# mmf62633/2","The Canadian Mineralogist","2012","49","","1129","1150","10.3749/canmin.49.5.1129","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016700","12.7345","","12.7345","","5.1798","","90","","90","","120","","727.457","","","","","","","","","","","","Lovozero alkaline massif, Kola Peninsula, Russia","6","P 63","P 6c","173","","","Depmeierite","- Al3 H3.18 Na3.922 O14.69 P0.3 Si3 -","- Al3 H3.18 Na3.922 O14.69 P0.3 Si3 -","- Al6 H6.36 Na7.844 O29.38 P0.6 Si6 -","2","0.333333","","Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Van, K. V.; Pushcharovsky, D. Y.","Depmeierite Na8[Al6Si6O24](PO4,CO3)1-x·3H2O (x<0.5) - a new cancrinite group mineral from the Lovozero alkaline massif (Kola Peninsula, Russia)","Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva","2010","139","","63","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016729","12.347","","12.347","","4.935","","90","","90","","120","","651.539","","","","","","","","","","","","Cameroun","7","P 63","P 6c","173","","","Cancrinite","- C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C0.88 H1.99998 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C1.76 H3.99996 Al6 Ca0.876 Na7.044 O31.28 Si6 -","2","0.333333","","Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.","High-pressure study of a natural cancrinite Note: P = 4.30 GPa","American Mineralogist","2012","97","","872","882","10.2138/am.2012.4039","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9016738","14.152","","14.152","","5.5758","","90","","90","","120","","967.105","","","","","","","","","","","","","5","P 63","P 6c","173","","","Ottensite","- H6 Na3.61 O12 S3 Sb7 -","- H6 Na3.61 O12 S3 Sb7 -","- H12 Na7.22 O24 S6 Sb14 -","2","0.333333","","Sabelli, C.; Nakai, I.; Katsura, S.","Crystal structures of cetineite and its synthetic Na analogue Na3.6(Sb2O3)3(SbS3)(OH)0.6.2.4(H2O) Sample: Synthetic Na analogue","American Mineralogist","1988","73","","398","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016763","14.2513","","14.2513","","5.59","","90","","90","","120","","983.222","","","","","","","","","","","","","6","P 63","P 6c","173","","","Cetineite","- H5.64 K2.4 Na0.58 O11.82 S3 Sb7 -","- H5.64 K2.4 Na0.58 O11.82 S3 Sb7 -","- H11.28 K4.8 Na1.16 O23.64 S6 Sb14 -","2","0.333333","","Sabelli, C.; Nakai, I.; Katsura, S.","Crystal structures of cetineite and its synthetic Na analogue Na3.6(Sb2O3)3(SbS3)(OH)0.6.2.4(H2O)","American Mineralogist","1988","73","","398","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017539","5.151","","5.151","","8.69","","90","","90","","120","","199.68","","","","","","","","","","","","Synthetic","4","P 63","P 6c","173","","","Kalsilite","- Al K O4 Si -","- Al2 K2 O7.99998 Si2 -","- Al2 K2 O7.99998 Si2 -","","","","Andou, Y.; Kawahara, A.","The refinement of the structure of synthetic kalsilite","Mineralogical Journal","1984","12","","153","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:01:28",""
"9017876","9.3667","","9.3667","","7.6173","","90","","90","","120","","578.769","","","","","","","","","","","","Keystone mine, Boulder County, Colorado, USA","7","P 63","P 6c","173","","","Keystoneite","- Fe0.47 H7.62 Mg0.79 Mn0.1 Ni1.25 O12.81 Te3 -","- Fe0.47 H7.62 Mg0.79 Mn0.1 Ni1.25 O12.81 Te3 -","- Fe0.94 H15.24 Mg1.58 Mn0.2 Ni2.5 O25.62 Te6 -","2","0.333333","","Missen, O. P.; Back, M. E.; Mills, S. J.; Roberts, A. C.; LePage, Y.; Pinch, W. W.; Mandarino, J. A.","Crystal chemistry of zemannite-type structures: III. Keystoneite, the Ni2±analogue of zemannite, and ferrotellurite discredited","The Canadian Mineralogist","2021","59","","355","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017910","11.0459","","11.0459","","10.61502","","90","","90","","120","","1121.64","","","","","","","","","","","","Ise City, Mie Prefecture, Japan","8","P 63","P 6c","173","","","Imayoshiite","- C H27 Al0.89 B0.94 Ca3 O25 S0.06 Si0.11 -","- C2 H54 Al1.78 B1.88 Ca6 O50 S0.12 Si0.22 -","- C2 H54 Al1.78 B1.88 Ca6 O50 S0.12 Si0.22 -","","","","Nishio-Hamane D; Ohnishi, M.; Momma, K.; Shimobayashi, N.; Miyawaki, R.; Minakawa, T.; Inaba, S.","Imayoshiite, Ca3Al(CO3)[B(OH)4](OH)6*12H2O, a new mineral of the ettringite group from Ise City, Mie Prefecture, Japan","Mineralogical Magazine","2015","79","","413","423","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:29",""