# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-04-23T23:08:49+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 63 2 2' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1008015","4.8551","","4.8551","","4.5326","","90","","90","","120","","92.5","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","MANGANESE NITRIDE (2/0.9)","","- Mn2 N0.86 -","- Mn2 N0.86 -","- Mn6 N2.58 -","3","0.25","","Eddine, M N; Bertaut, E F; Maunaye, M","Structure cristallographique de Mn~2~ N~0.86~","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2696","2698","10.1107/S0567740877009261","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008089","5.227","0.003","5.227","0.003","8.802","0.004","90","","90","","120","","208.3","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","BARIUM DIALUMINIUM OXIDE","","- Al2 Ba O4 -","- Al2 Ba O4 -","- Al4 Ba2 O8 -","2","0.166667","","Do Dinh, C; Bertaut, C","Parametres atomiques de Ba Al~2~ O~4~ et etudes des solutions solides Ba Fe~x~ Al~2-x~ O~4~ et Ba Ga~x~ Al~2-x~ O~4~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1965","88","","413","416","","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008833","7.883","0.005","7.883","0.005","10.863","0.009","90","","90","","120","","584.6","","","","","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","Trisodium hexahydroxotellurate trihydrogenbis(phosphate)","","- H9 Na3 O14 P2 Te -","- H18.5 Na3 O14 P2 Te -","- H37 Na6 O28 P4 Te2 -","2","0.166667","","Averbuch-Pouchot, M T","Structure d'un phosphate tellurate de sodium: Te (O H)6 Na2 H P O4 Na H2 P O4","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2405","2406","10.1107/S0567740880008850","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010039","5.209","","5.209","","8.761","","90","","90","","120","","205.9","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","Barium dialuminium oxide","","- Al2 Ba O4 -","- Al2 Ba O4 -","- Al4 Ba2 O8 -","2","0.166667","","Wallmark, S; Westgren, A","X-Ray Analysis of Barium Aluminates","Arkiv foer Kemi, Mineralogi och Geologi, B","1937","12","35","1","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010976","7.137","0.004","7.137","0.004","7.295","0.005","90","","90","","120","","321.8","","","","","","","","","","","","from W. Cheyenne Canon, Colorado, USA","2","P 63 2 2","P 6c 2c","182","","Cerium fluoride","Fluocerite (Ce)","- Ce F3 -","- Ce F3 -","- Ce6 F18 -","6","0.5","","Oftedal, I","Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","5","","272","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010983","7.176","0.004","7.176","0.004","7.344","0.007","90","","90","","120","","327.5","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","Lanthanum fluoride","Fluocerite (La)","- F3 La -","- F3 La -","- F18 La6 -","6","0.5","","Oftedal, I","Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","5","","272","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010984","7.076","0.005","7.076","0.005","7.233","0.007","90","","90","","120","","313.6","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","Praseodymium fluoride","Fluocerite (Pr)","- F3 Pr -","- F3 Pr -","- F18 Pr6 -","6","0.5","","Oftedal, P","Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","5","","272","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010985","7.034","0.004","7.034","0.004","7.211","0.005","90","","90","","120","","309","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","Neodymium fluoride","Fluocerite (Nd)","- F3 Nd -","- F3 Nd -","- F18 Nd6 -","6","0.5","","Oftedal, I","Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","5","","272","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010986","6.99","","6.99","","7.16","","90","","90","","120","","303","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","Samarium fluoride","Fluocerite (Sm)","- F3 Sm -","- F3 Sm -","- F18 Sm6 -","6","0.5","","Oftedal, I","Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","5","","272","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011350","7.128","0.004","7.128","0.004","7.288","0.005","90","","90","","120","","320.7","","","","","","","","","","","","synthetic","2","P 63 2 2","P 6c 2c","182","","Cerium fluoride","Fluocerite (Ce)","- Ce F3 -","- Ce F3 -","- Ce6 F18 -","6","0.5","","Oftedal, I","Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","5","","272","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1509696","5.623","","5.623","","12.6694","","90","","90","","120","","346.915","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","Ag2 (Sn O3)","","- Ag2 O3 Sn -","- Ag1.995 O3 Sn -","- Ag7.98 O12 Sn4 -","4","0.333333","","Linke, C.; Jansen, M.","Ueber Ag2 Sn O3, das erste Silberstannat","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","1441","1446","10.1002/zaac.19976230920","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1521833","5.6172","","5.6172","","5.185","","90","","90","","120","","141.683","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","Zr3 O","","- O Zr3 -","- O Zr3 -","- O2 Zr6 -","2","0.166667","","Riabov, A.B.; Yartys', V.A.; Wiesinger, G.; Hauback, B.C.; Guegan, P.W.; Harris, I.R.","Hydrogenation behaviour, neutron diffraction studies and microstructural characterisation of boron oxide-doped Zr V alloys","Journal of Alloys Compd.","1999","293","","93","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523551","3.836","","3.836","","4.948","","90","","90","","120","","63.055","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Ni2 Si -","- Ni2 Si -","- Ni4 Si2 -","2","0.166667","","Ellner, M.; Bhargava, M.K.; Heinrich, S.; Schubert, K.","Einige strukturelle Untersuchungen in der Mischung Ni Sin","Journal of the Less-Common Metals","1979","66","","163","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523919","4.835","","4.835","","4.535","","90","","90","","120","","91.812","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","Re1.16 O3","","- O3 Re1.13 -","- O3 Re1.13 -","- O6 Re2.26 -","2","0.166667","","Jeitschko, W.; Sleight, A.W.","The rhenium-oxygen system at high pressure: Structure and characterization of a new rhenium oxide","Journal of Solid State Chemistry","1972","4","","324","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","144543","2020-10-21","18:00:00",""
"1524096","5.31","","5.31","","14.25","","90","","90","","120","","347.964","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","Tl Sb O3","","- O3 Sb Tl -","- O3 Sb Tl -","- O12 Sb4 Tl4 -","4","0.333333","","Bouchama, M.; Tournoux, M.","Polytypisme de Tl Sb O3","Revue de Chimie Minerale","1975","12","","80","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525118","7.385","","7.385","","7.53","","90","","90","","120","","355.653","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","K0.26 W O3","","- K0.26 O3 W -","- K0.26 O3 W -","- K1.56 O18 W6 -","6","0.5","","Pye, M.F.; Dickens, P.G.","A structural study of the hexagonal potassium tungsten bronze, K0.26 W O3","Materials Research Bulletin","1979","14","","1397","1402","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525718","4.7615","","4.7615","","4.4124","","90","","90","","120","","86.635","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Fe3 N1.3 -","- Fe3 N1.3 -","- Fe6 N2.6 -","2","0.166667","","Leineweber, A.; Kockelmann, W.; Jacobs, H.; Lueken, H.; Huening, F.","Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)","Journal of Alloys Compd.","2001","316","","21","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525719","4.7715","","4.7715","","4.415","","90","","90","","120","","87.05","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Fe3 N1.33 -","- Fe3 N1.332 -","- Fe6 N2.664 -","2","0.166667","","Leineweber, A.; Jacobs, H.; Huening, F.; Lueken, H.; Kockelmann, W.","Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)","Journal of Alloys Compd.","2001","316","","21","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525721","4.7855","","4.7855","","4.4171","","90","","90","","120","","87.604","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Fe3 N1.39 -","- Fe3 N1.39 -","- Fe6 N2.78 -","2","0.166667","","Leineweber, A.; Jacobs, H.; Huening, F.; Kockelmann, W.; Lueken, H.","Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)","Journal of Alloys Compd.","2001","316","","21","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525724","4.7126","","4.7126","","4.3752","","90","","90","","120","","84.149","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Fe3 N1.107 -","- Fe3 N1.107 -","- Fe6 N2.214 -","2","0.166667","","Leineweber, A.; Jacobs, H.; Lueken, H.; Huening, F.; Kockelmann, W.","Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)","Journal of Alloys Compd.","2001","316","","21","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525727","4.7197","","4.7197","","4.3946","","90","","90","","120","","84.777","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Fe3 N1.1 -","- Fe3 N1.101 -","- Fe6 N2.202 -","2","0.166667","","Leineweber, A.; Jacobs, H.; Huening, F.; Lueken, H.; Kockelmann, W.","Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)","Journal of Alloys Compd.","2001","316","","21","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525731","4.7396","","4.7396","","4.3994","","90","","90","","120","","85.587","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Fe3 N1.235 -","- Fe3 N1.235 -","- Fe6 N2.47 -","2","0.166667","","Leineweber, A.; Kockelmann, W.; Huening, F.; Jacobs, H.; Lueken, H.","Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)","Journal of Alloys Compd.","2001","316","","21","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525733","4.7434","","4.7434","","4.4074","","90","","90","","120","","85.88","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Fe3 N1.236 -","- Fe3 N1.236 -","- Fe6 N2.472 -","2","0.166667","","Leineweber, A.; Jacobs, H.; Huening, F.; Lueken, H.; Kockelmann, W.","Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)","Journal of Alloys Compd.","2001","316","","21","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525735","4.7542","","4.7542","","4.4197","","90","","90","","120","","86.512","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Fe3 N1.226 -","- Fe3 N1.226 -","- Fe6 N2.452 -","2","0.166667","","Leineweber, A.; Lueken, H.; Huening, F.; Jacobs, H.; Kockelmann, W.","Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)","Journal of Alloys Compd.","2001","316","","21","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525737","4.7583","","4.7583","","4.4226","","90","","90","","120","","86.719","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Fe3 N1.231 -","- Fe3 N1.231 -","- Fe6 N2.462 -","2","0.166667","","Leineweber, A.; Huening, F.; Jacobs, H.; Lueken, H.; Kockelmann, W.","Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)","Journal of Alloys Compd.","2001","316","","21","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525739","4.7625","","4.7625","","4.4252","","90","","90","","120","","86.923","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Fe3 N1.222 -","- Fe3 N1.222 -","- Fe6 N2.444 -","2","0.166667","","Leineweber, A.; Jacobs, H.; Huening, F.; Kockelmann, W.; Lueken, H.","Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)","Journal of Alloys Compd.","2001","316","","21","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525741","4.7715","","4.7715","","4.4311","","90","","90","","120","","87.368","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Fe3 N1.22 -","- Fe3 N1.221 -","- Fe6 N2.442 -","2","0.166667","","Leineweber, A.; Jacobs, H.; Huening, F.; Kockelmann, W.; Lueken, H.","Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)","Journal of Alloys Compd.","2001","316","","21","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527925","5.218","","5.218","","8.781","","90","","90","","120","","207.054","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","Ba Al2 O4","","- Al2 Ba O4 -","- Al2 Ba O3.999 -","- Al4 Ba2 O7.998 -","2","0.166667","","Perrotta, A.J.; Smith, J.V.","The crystal structure of Ba Al2 O4","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1968","91","","85","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528504","5.1879","","5.1879","","8.6385","","90","","90","","120","","201.35","","","","","","","","","","","","","4","P 63 2 2","P 6c 2c","182","","(Ba0.6 Sr0.4) Al2 O4","","- Al2 Ba0.6 O4 Sr0.4 -","- Al2 Ba0.6 O3.9999 Sr0.4 -","- Al4 Ba1.2 O7.9998 Sr0.8 -","2","0.166667","","Fukuda, K.; Orito, T.; Iwata, T.","Structural disorder in Ba0.6 Sr0.4 Al2 O4","Journal of Solid State Chemistry","2005","178","","3662","3666","","","","","","","","","","","","","","","","","","","","","","has coordinates","150858","2020-10-21","18:00:00",""
"1528602","6.213","","6.213","","12.265","","90","","90","","120","","410.016","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","Ca Ta4 O11","","- Ca O11 Ta4 -","- Ca O11 Ta4 -","- Ca2 O22 Ta8 -","2","0.166667","","Jahnberg, L.","Crystal structure of Na2 Nb4 O11 and Ca Ta4 O11","Journal of Solid State Chemistry","1970","1","","454","462","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529711","5.484","","5.484","","5.177","","90","","90","","120","","134.835","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","Li (I O3)","","- I Li O3 -","- I Li O3 -","- I2 Li2 O6 -","2","0.166667","","Butolin, S.A.; Belova, L.F.; Ivanova, N.M.; Samoylova, R.N.; Kotenko, O.M.; Dokuchaeva, I.M.","Optical and physico-chemical properties of alpha Li I O3 monocrystal","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1975","11","","862","865","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529828","4.848","","4.848","","4.48","","90","","90","","120","","91.187","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","Re O3","","- O3 Re -","- O3 Re -","- O6 Re2 -","2","0.166667","","Dyuzheva, T.I.; Bendeliani, N.A.; Kabalkina, S.S.","New high-pressure phases of Re O3","Journal of the Less-Common Metals","1987","133","","313","317","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530001","6.011","","6.011","","12.787","","90","","90","","120","","400.122","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","Fe0.4 Zr Se2","","- Fe0.4 Se2 Zr -","- Fe0.396667 Se2 Zr -","- Fe2.38 Se12 Zr6 -","6","0.5","","Gleizes, A.; Revelli, J.; Ibers, J.A.","Structures of a semiconducting and a metallic phase in the Fe Y Zr Se2 system","Journal of Solid State Chemistry","1976","17","","363","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531321","5.7905","","5.7905","","12.3891","","90","","90","","120","","359.751","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","","","- Fe0.47 Nb S2 -","- Fe0.47 Nb S2 -","- Fe2.82 Nb6 S12 -","6","0.5","","Ehm, L.; Knorr, K.; Vogel, S.; Schmid-Beurmann, P.; Depmeier, W.","X-ray powder diffraction and (57)Fe Mossbauer spectroscopy study on Fe0.47 Nb S2","Journal of Alloys Compd.","2002","339","","30","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531562","5.3925","","5.3925","","8.9739","","90","","90","","120","","225.992","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","Ba (Ga2 O4)","","- Ba Ga2 O4 -","- Ba Ga2 O3.999 -","- Ba2 Ga4 O7.998 -","2","0.166667","","Kahlenberg, V.; Weidenthaler, C.","High-temperature single crystal diffraction study on monobarium gallate - the crystal structure of beta-(Ba Ga2 O4)","Solid State Sciences","2002","4","","963","968","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532059","11.0017","","11.0017","","11.1694","","90","","90","","120","","1170.79","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","Zr4 Al3 D2.68","","- Al3 D2.68 Zr4 -","- Al3 D2.6805 Zr4 -","- Al24 D21.444 Zr32 -","8","0.666667","","Riabov, A.B.; Hauback, B.C.; Denys, R.V.; Yartys', V.A.","Zr4 Al3 D2.68 and Zr3 Al2 D2.26: new Zr-containing intermetallic hydrides with ordered hydrogen sublattice","Journal of Alloys Compd.","2003","356","","91","95","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532724","4.8859","","4.8859","","4.5396","","90","","90","","120","","93.851","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Mn N0.421 -","- Mn N0.421 -","- Mn6 N2.526 -","6","0.5","","Leineweber, A.; Jacobs, H.; Kockelmann, W.","Nitrogen ordering in zeta-(manganese nitrides) with hcp arrangement of Mn - Mn Ny with 0.39 < y < 0.48 - determined by neutron diffraction","Journal of Alloys Compd.","2004","368","","229","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533234","5.1164","","5.1164","","8.3727","","90","","90","","120","","189.813","","","","","","","","","","","","","4","P 63 2 2","P 6c 2c","182","","(Sr0.88 Eu0.12) (Al2 O4)","","- Al2 Eu0.12 O4 Sr0.88 -","- Al2 Eu0.12 O4.068 Sr0.88 -","- Al4 Eu0.24 O8.136 Sr1.76 -","2","0.166667","","Yamada, H.; Shi, W.S.; Nishikubo, K.; Xu, C.N.","Determination of the crystal structure of spherical particles of Sr Al2 O4:Eu prepared by the spray method","Journal of the Electrochemical Society","2003","150","","E251","E254","","","","","","","","","","","","","","","","","","","","","","has coordinates","159357","2020-10-21","18:00:00",""
"1535744","5.407","","5.407","","8.975","","90","","90","","120","","227.236","","","","","","","","","","","","","4","P 63 2 2","P 6c 2c","182","","Ba Zn (Ge O4)","","- Ba Ge O4 Zn -","- Ba Ge O4 Zn -","- Ba2 Ge2 O8 Zn2 -","2","0.166667","","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",""
"1536813","5.079","","5.079","","10.405","","90","","90","","120","","232.45","","","","","","","","","","","","","4","P 63 2 2","P 6c 2c","182","","Li Sm (Al F6)","","- Al F6 Li Sm -","- Al F6 Li Sm -","- Al2 F12 Li2 Sm2 -","2","0.166667","","Koehler, J.; Mueller, B.G.","Li Sm Al F6 - das erste Fluoroaluminat mit zweiwertigem Samarium","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","606","","169","176","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541967","5.74","","5.74","","14.08","","90","","90","","120","","401.751","","","","","","","","","","","","","4","P 63 2 2","P 6c 2c","182","","Ba3 Fe2 W O9","","- Ba3 Fe2 O9 W -","- Ba3 Fe2 O9 W -","- Ba6 Fe4 O18 W2 -","2","0.166667","","Gagulin, V.V.; Fadeeva, N.V.; Mitrofanov, K.P.; Belous, A.G.; Venevtsev, Yu.N.; Titov, A.V.; Solov'ev, S.P.; Plotnikova, M.V.","New seignette-magnets with hexagonal barium titanate structure","Physica Status Solidi, Sectio A: Applied Research","1978","48","","183","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1545124","5.224","","5.224","","8.777","","90","","90","","120","","207.435","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","BaAl2O4","","","- Al2 Ba O4 -","- Al2 Ba O4 -","- Al4 Ba2 O8 -","2","0.166667","","Uchikawa, H.; Tsukiyama, K.","Precise determination of BaAl2O4 cell and certification of the formation of iron bearing solid solution","Journal of Ceramic Association of Japan","1966","74","","15","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","190833","2020-10-21","18:00:00",""
"1545252","4.767","","4.767","","4.354","","90","","90","","120","","85.686","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","Epsilon Iron Carbide","Epsilon Iron Carbide","- C Fe2.4 -","- C0.25 Fe0.6 -","- C2.5 Fe6 -","10","0.833333","","Nagakura, Sigemaro","Study of Metallic Carbides by Electron Diffraction Part III. Iron Carbides","Journal of the Physical Society of Japan","1959","14","2","186","195","10.1143/JPSJ.14.186","","","","","","","","","","","","","","","","","","","","","has coordinates","209420","2020-10-21","18:00:00",""
"1546505","25.8617","0.0003","25.8617","0.0003","20.302","0.0003","90","","90","","120","","11759.4","0.3","150","","150","","","","","","","","SYN","6","P 63 2 2","P 6c 2c","182","","","","- C62 H68 B F24 P2 Rh -","- C62 H68 B F24 P2 Rh -","- C372 H408 B6 F144 P12 Rh6 -","6","0.5","","Chadwick, Fredrick M.; McKay, Alasdair I.; Martinez-Martinez, Antonio J.; Rees, Nick; Kraemer, Tobias; Macgregor, Stuart Alan; Weller, Andrew","Solid‒State Molecular Organometallic Chemistry. Single‒Crystal to Single‒Crystal Reactivity and Catalysis with Light Hydrocarbon Substrates.","Chem. Sci.","2017","","","","","10.1039/C7SC01491K","","","1.5418","CuKα","","0.0868","0.0666","","0.2106","0.1776","0.2105","","","","","","0.9722","","","","has coordinates,has disorder","198564","2020-10-21","18:00:00",""
"1560656","8.1266","0.0006","8.1266","0.0006","6.9236","0.0007","90","","90","","120","","395.99","0.06","296","","296","","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C9.52 H19.2 Cr0.46 N1.54 Ni1.54 O12 -","- C9.5196 H6 Cr0.46 N1.5396 Ni1.54 O12 -","- C9.5196 H6 Cr0.46 N1.5396 Ni1.54 O12 -","1","0.0833333","","Mączka, Mirosław; Gągor, Anna; Hanuza, Jerzy; Pikul, Adam; Drozd, Marek","Synthesis and characterization of two novel chiral-type formate frameworks templated by protonated diethylamine and ammonium cations","Journal of Solid State Chemistry","2017","245","","23","29","10.1016/j.jssc.2016.10.005","powder diffraction","x-ray","1.54051","","","0.0603","0.054","","0.0635","0.0631","","","","3.63","","","","","","","has coordinates","262255","2021-02-26","09:23:14",""
"1560657","8.1246","0.0002","8.1246","0.0002","7.0011","0.0003","90","","90","","120","","400.22","0.02","296","2","296","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C9.76 H19.52 Fe0.5 N1.5 Ni1.5 O12 -","- C9.7596 H7.8792 Fe0.4998 N1.4988 Ni1.5002 O12 -","- C9.7596 H7.8792 Fe0.4998 N1.4988 Ni1.5002 O12 -","1","0.0833333","","Mączka, Mirosław; Gągor, Anna; Hanuza, Jerzy; Pikul, Adam; Drozd, Marek","Synthesis and characterization of two novel chiral-type formate frameworks templated by protonated diethylamine and ammonium cations","Journal of Solid State Chemistry","2017","245","","23","29","10.1016/j.jssc.2016.10.005","","x-ray","0.71073","MoKα","","0.0337","0.0274","","","0.0601","0.0621","","","","","","1.196","","","","has coordinates,has disorder","262255","2021-02-26","09:23:15",""
"1561588","17.209","0.0003","17.209","0.0006","28.557","0.0005","90","","90","","120","","7324.1","0.3","100","","100","","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C3 Cs2 K0.5 O68 P2 W18 -","- C3 Cs2 K0.5 O68 P2 W18 -","- C6 Cs4 K O136 P4 W36 -","2","0.166667","","Ogiwara, Naoki; Tomoda, Masahiro; Miyazaki, Shotaro; Weng, Zhewei; Takatsu, Hiroshi; Kageyama, Hiroshi; Misawa, Toshiyuki; Ito, Takeru; Uchida, Sayaka","Integrating molecular design and crystal engineering approaches in non-humidified intermediate-temperature proton conductors based on a Dawson-type polyoxometalate and poly(ethylene glycol) derivatives.","Nanoscale","2021","13","17","8049","8057","10.1039/d1nr01220g","","","0.61","synchrotron","","0.1532","0.1008","","","0.3464","0.3674","","","","","","1.057","","","","has coordinates","266117","2021-06-05","19:12:49",""
"1564595","20.0197","0.0006","20.0197","0.0006","38.877","0.003","90","","90","","120","","13493.9","1.2","293","2","293","2","","","","","","","","4","P 63 2 2","P 6c 2c","182","","","","- C252 H294 Cu20 O37 -","- C252 H294 Cu20 O37 -","- C504 H588 Cu40 O74 -","2","0.166667","","Cao, Yun-Dong; Hao, Hui-Ping; Liu, Huashi; Yin, Di; Wang, Mingliang; Gao, Guanggang; Fan, Lin-Lin; Liu, Hong","A 20-core copper(I) nanocluster as electron-hole recombination inhabitor on TiO2 nanosheet for enhancing photocatalytic H2 evolution","Nanoscale","2021","","","","","10.1039/D1NR04683G","","x-ray","0.71","MoKa","","0.1329","0.0678","","","0.1514","0.1693","","","","","","0.909","","","","has coordinates,has disorder","269054","2021-09-09","00:02:49",""
"1571347","14.7864","0.0003","14.7864","0.0003","55.7285","0.001","90","","90","","120","","10552","0.4","199.99","0.12","199.99","0.12","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C98.8 H149.6 K O18.2 Si4 Tb -","- C87.9996 H127.999 K O15.4999 Si4 Tb -","- C351.998 H511.997 K4 O61.9996 Si16 Tb4 -","4","0.333333","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0751","0.0695","","","0.1709","0.1747","","","","","","1.074","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571349","14.87393","0.00016","14.87393","0.00016","55.4259","0.0007","90","","90","","120","","10619.3","0.2","200","0.11","200","0.11","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C88 H128 Ce K O15.5 Si4 -","- C87.9996 H127.999 Ce K O15.4999 Si4 -","- C351.998 H511.997 Ce4 K4 O61.9996 Si16 -","4","0.333333","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0588","0.0581","","","0.1554","0.1561","","","","","","1.088","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"2001621","8.552","0.001","8.552","0.001","17.064","0.002","90","","90","","120","","1080.8","0.2","293","","293","","","","","","","","","7","P 63 2 2","","","Cobalt(III)sepulchrate perchlorate thiosulphate","(1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]eicosane)cobalt(III)perchlorate thiosulphate","","- C12 H30 Cl Co N8 O7 S2 -","- C12 H30 Cl Co N8 O14 S3 -","- C24 H60 Cl2 Co2 N16 O28 S6 -","2","0.166667","AL1026","Bacchi, A.; Ferranti, F.; Pelizzi, G.","Structures of two cobalt(III) sepulchrate complexes","Acta Crystallographica Section C","1993","49","6","1163","1169","10.1107/S0108270192012265","","","0.7107","MoKα","","","0.0897","","","0.0968","","","","","2.49","2.49","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002155","10.2579","0.001","10.2579","0.001","13.554","0.005","90","","90","","120","","1235.1","","","","","","","","","","","","","4","P 63 2 2","P 6c 2c","182","","Lead nickel tellurium oxide (3/4.5/2.5/15)","","- Ni4.5 O15 Pb3 Te2.5 -","- Ni4.5 O15 Pb3 Te2.5 -","- Ni18 O60 Pb12 Te10 -","4","0.333333","","Wedel, B; Sugiyama, K; Mueller-Buschbaum, Hk","Verknuepfung von (Te O6)6 und (Te O6)3 (Ni O6)3sechringen durch Te Ni O9-Oktaederdoppel in Pb3 Ni4.5 Te2.5 O15","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1998","53","","527","531","","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002491","6.9038","0.0053","6.9038","0.0053","11.97","0.027","90","","90","","120","","494.1","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","Barium mercury oxide","","- Ba Hg O2 -","- Ba Hg O2 -","- Ba6 Hg6 O12 -","6","0.5","","Soll, M; Mueller-Buschbaum, Hk","Das erste Bariumoxomercurat: Ba Hg O2. Synthese und Kristallstruktur","Journal of the Less-Common Metals","1990","162","","169","174","10.1016/0022-5088(90)90471-U","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002865","5.8985","0.0006","5.8985","0.0006","24.739","0.026","90","","90","","120","","745.4","","","","","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","Pentabarium ruthenium tantalum nonaoxide dichloride","","- Ba5 Cl2 O9 Ru Ta -","- Ba5 Cl2 O9 Ru0.94 Ta1.06 -","- Ba10 Cl4 O18 Ru1.88 Ta2.12 -","2","0.166667","","Wilkens, J; Mueller-Buschbaum, Hk","Ueber Halogenooxo-Ruthenate: Zur Kenntnis von Ba5 Ru Ta O9 Cl2","Journal of the Less-Common Metals","1991","171","","255","262","10.1016/0022-5088(91)90149-X","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2003880","6.2543","0.0001","6.2543","0.0001","12.332","0.0003","90","","90","","120","","417.755","0.014","295","","295","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","SrTa4O11","","- O11 Sr Ta4 -","- O11 Sr Ta4 -","- O22 Sr2 Ta8 -","2","0.166667","CR1170","Heunen, G. W. J. C.; IJdo, D. J. W.; Helmholdt, R. B.","SrTa~4~O~11~: a Rietveld Refinement Using Neutron Powder Diffraction Data","Acta Crystallographica Section C","1995","51","9","1723","1725","10.1107/S0108270195004264","","neutron","2.57167","Neutron","","0.0243","","","0.031","","","","","1.79","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006258","8.9289","0.0006","8.9289","0.0006","11.3327","0.0007","90","","90","","120","","782.46","0.09","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","Tris(ethylenediamine)zinc(II) Nitrate","","- C6 H24 N8 O6 Zn -","- C6 H24 N8 O6 Zn -","- C12 H48 N16 O12 Zn2 -","2","0.166667","TA1128","Neill, Debbie; Riley, Mark J.; Kennard, Colin H. L.","Tris(ethylenediamine-<i>N</i>,<i>N</i>')zinc(II) Dinitrate","Acta Crystallographica Section C","1997","53","6","701","703","10.1107/S0108270197001996","","","0.71069","MoKα","","0.0253","0.0246","","0.059","0.0584","","","","1.209","1.213","1.213","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008721","5.26","0.0007","5.26","0.0007","8.801","0.002","90","","90","","120","","210.88","0.06","293","2","293","2","","","","","","","","4","P 63 2 2","P 6c 2c","182","potassium iron silicate","potassium iron silicate","","- Fe0.97 K0.97 O4 Si1.03 -","- Fe0.97 K0.97 O3.99999 Si1.03 -","- Fe1.94 K1.94 O7.99998 Si2.06 -","2","0.166667","QB0099","Robert Hammond; Jacques Barbier","Hexagonal β-KFeSiO~4~","Acta Crystallographica Section C","1999","55","7","IUC9900075","","10.1107/S0108270199099242","","","0.56086","AgKα","","0.032","0.0189","","0.0563","0.0452","","","","0.982","1.114","1.114","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009380","21.226","0.003","21.226","0.003","14.306","0.002","90","","90","","120","","5581.9","1.4","295","","","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C30 H61 N9 O26 Pt3 -","- C30 N9 O26 Pt3 -","- C120 N36 O104 Pt12 -","4","0.333333","DU1047","Khodadad, P.; Rodier, N.","[Bis(5-oxoprolinato)]platinate(II) d'ammonium hydrate (3/8), 3{[NH~4~][Pt(C~5~H~5~NO~3~)(C~5~H~6~NO~3~)]}.8H~2~O","Acta Crystallographica Section C","1994","50","1","46","48","10.1107/S0108270193005979","","","0.7107","MoKᾱ","","","0.038","","","0.051","","","","","1.32","1.32","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2017638","8.4945","0.0005","8.4945","0.0005","15.9195","0.0013","90","","90","","120","","994.8","0.12","295","","295","","","","","","","","","5","P 63 2 2","P 6c 2c","182","Cobalt(sepulchrate)trinitrate","[(1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]eicosane) cobalt(III) trinitrate","","- C12 H30 Co N11 O9 -","- C12 H30 Co N11.0002 O9.0006 -","- C24 H60 Co2 N22.0004 O18.0012 -","2","0.166667","SU3043","Schönleber, Andreas; van Smaalen, Sander; Larsen, Finn Krebs","Orientational disorder in Λ-cobalt(III) sepulchrate trinitrate","Acta Crystallographica Section C","2010","66","4","m107","m109","10.1107/S0108270110005755","","","0.71069","MoKα","","0.0358","0.0342","","","0.0528","0.0532","","","","","","2.25","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2106525","6.2173","","6.2173","","12.271","","90","","90","","120","","410.785","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","Ca (Ta4 O11)","","- Ca O11 Ta4 -","- Ca O11 Ta4 -","- Ca2 O22 Ta8 -","2","0.166667","","Isobe, M.; Marumo, F.; Iwai, S.I.; Kimura, M.","Calcium tetratantalate","Acta Crystallographica B (24,1968-38,1982)","1975","31","","908","910","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2204951","11.2374","0.0008","11.2374","0.0008","24.648","0.003","90","","90","","120","","2695.5","0.4","293","2","123","2","","","","","","","","7","P 63 2 2","P 6c 2c","182","","tris(ethylenediamine-κ^2^N,N')cobalt(III) chloride diiodide monohydrate","","- C6 H26 Cl Co I2 N6 O -","- C6 H26 Cl Co I2 N6 O -","- C36 H156 Cl6 Co6 I12 N36 O6 -","6","0.5","RZ6010","Zhang, Zhang-Jing; Zheng, Fa-Kun; Fu, Ming-Lai; Guo, Guo-Cong; Huang, Jin-Shun","A new cobalt(III) ethylenediamine complex with mixed halide counter-anions, [Co(en)~3~](Cl)(I)~2~·H~2~O","Acta Crystallographica Section E","2005","61","1","m89","m91","10.1107/S1600536804030272","","","0.71073","MoKα","","0.0906","0.0529","","","0.0826","0.0968","","","","","","1.008","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2224132","9.192","0.002","9.192","0.002","9.755","0.003","90","","90","","120","","713.8","0.3","93","2","93","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","Tris(ethylenediamine)zinc(II) hexafluoridosilicate","","- C6 H24 F6 N6 Si Zn -","- C6 H24 F6 N6 Si Zn -","- C12 H48 F12 N12 Si2 Zn2 -","2","0.166667","BT5123","Li, Yang; Shi, Qi; Slawin, Alexandra M. Z.; Woollins, J. Derek; Dong, Jinxiang","Tris(ethylenediamine)zinc(II) hexafluoridosilicate","Acta Crystallographica Section E","2009","65","12","m1522","","10.1107/S1600536809045693","","","0.71073","MoKα","","0.0294","0.0268","","","0.0581","0.0589","","","","","","1.114","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228017","9.167","0.0009","9.167","0.0009","9.763","0.001","90","","90","","120","","710.51","0.12","291","2","291","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","Tris(1,2-diaminoethane)nickel(II) hexafluoridosilicate","","- C6 H24 F6 N6 Ni Si -","- C6 H24 F6 N6 Ni Si -","- C12 H48 F12 N12 Ni2 Si2 -","2","0.166667","SU2212","Haníková, Jaroslava; Kuchár, Juraj; Černák, Juraj; Pelosi, Giorgio","Tris(1,2-diaminoethane)nickel(II) hexafluoridosilicate","Acta Crystallographica Section E","2010","66","11","m1451","m1452","10.1107/S1600536810041553","","","0.71069","MoKα","","0.0319","0.0266","","","0.0628","0.0643","","","","","","1.069","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2236087","10.3915","0.0001","10.3915","0.0001","13.6273","0.0002","90","","90","","120","","1274.37","0.03","293","2","293","2","","","","","","","","4","P 63 2 2","P 6c 2c","182","","hexalead(II) nonacobalt(II) pentatellurate(VI)","","- Co9 O30 Pb6 Te5 -","- Co9 O30 Pb6 Te5 -","- Co18 O60 Pb12 Te10 -","2","0.166667","BR2208","Artner, Christine; Weil, Matthias","Pb~6~Co~9~(TeO~6~)~5~","Acta Crystallographica Section E","2012","68","9","i71","","10.1107/S1600536812037038","","","0.71073","MoKα","","0.0335","0.0246","","","0.0545","0.0559","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2300101","5.11635","0.0001","5.11635","0.0001","8.3673","0.0002","90","","90","","120","","189.687","0.007","297","","297","","","","","","","","","4","P 63 2 2","P 6c 2c","182","strontium europium aluminate","strontium europium aluminate","","- Al2 Eu0.136 O4 Sr0.864 -","- Al2 Eu0.136 O3.999 Sr0.864 -","- Al4 Eu0.272 O7.998 Sr1.728 -","2","0.166667","","Chao-Nan, Xu; Wen-Sheng Shi","Observation of orientational disorder in the hexagonal stuffed tridymite Sr~0.864~Eu~0.136~Al~2~O~4~ by the maximum-entropy method","Journal of Applied Crystallography","2004","37","5","698","702","10.1107/S002188980401430X","","","0.77571","","","","","","","","","","","1.8","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2300357","8.8647","0.0003","8.8647","0.0003","11.3595","0.0004","90","","90","","120","","773.07","0.05","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C6 H24 N8 Ni O6 -","- C6 H24 N8 Ni O6 -","- C12 H48 N16 Ni2 O12 -","2","0.166667","HE5530","Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán","Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem","Journal of Applied Crystallography","2011","44","4","763","771","10.1107/S0021889811016232","","","0.71073","MoKα","","0.035","0.0273","","","0.0396","0.0401","","","","","","2.305","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300358","8.8647","0.0003","8.8647","0.0003","11.3595","0.0004","90","","90","","120","","773.07","0.05","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C6 H24 N8 Ni O6 -","- C6 H24 N8 Ni O6 -","- C12 H48 N16 Ni2 O12 -","2","0.166667","HE5530","Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán","Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem","Journal of Applied Crystallography","2011","44","4","763","771","10.1107/S0021889811016232","","","0.71073","MoKα","","0.0358","0.03","","","0.1203","0.1254","","","","","","1.022","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300361","8.8647","0.0003","8.8647","0.0003","11.3595","0.0004","90","","90","","120","","773.07","0.05","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C6 H24 N8 Ni O6 -","- C6 H24 N8 Ni O6 -","- C12 H48 N16 Ni2 O12 -","2","0.166667","HE5530","Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán","Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem","Journal of Applied Crystallography","2011","44","4","763","771","10.1107/S0021889811016232","","","0.71073","MoKα","","0.0627","0.0439","","","0.054","0.0566","","","","","","2.262","","","","has coordinates","176809","2020-10-21","18:00:00",""
"4000974","4.7241","0.0002","4.7241","0.0002","4.3862","0.0002","90","","90","","120","","84.773","0.006","293","2","293","2","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Fe3 N1.2 -","- Fe3 N1.198 -","- Fe6 N2.396 -","2","0.166667","","Niewa, Rainer; Rau, Dieter; Wosylus, Aron; Meier, Katrin; Hanfland, Michael; Wessel, Michael; Dronskowski, Richard; Dzivenko, Dmytro A.; Riedel, Ralf; Schwarz, Ulrich","High-Pressure, High-Temperature Single-Crystal Growth, Ab initio Electronic Structure Calculations, and Equation of State of ε-Fe3N1+x","Chemistry of Materials","2009","21","2","392","","10.1021/cm802721k","","","0.56083","AgKα","","0.0252","0.0157","","","0.0337","0.0377","","","","","","1.188","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001448","17.9391","0.0003","17.9391","0.0003","38.4446","0.0013","90","","90","","120","","10714.4","0.4","150","2","150","2","","","","","","","","8","P 63 2 2","P 6c 2c","182","","","","- C221 H192 Ag5 Cl0 F15 N24 O15 S5 -","- C220.98 H192 Ag5 F14.94 N24 O14.94 S5.01 -","- C441.96 H384 Ag10 F29.88 N48 O29.88 S10.02 -","2","0.166667","","Zhang, Xue-Li; Guo, Cui-Ping; Yang, Qing-Yuan; Lu, Tong-Bu; Tong, Ye-Xiang; Su, Cheng-Yong","Discrete Chiral Single-Crystal Microtubes Assembled with Honeycomb Coordination Networks Showing Structural Diversity and Borromean Topology in One Single Crystal","Chemistry of Materials","2007","19","19","4630","","10.1021/cm071767u","","","1.54187","CuKα","","0.1121","0.0678","","","0.1449","0.1587","","","","","","1.01","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001449","17.9074","0.0004","17.9074","0.0004","38.5402","0.0017","90","","90","","120","","10703.1","0.6","150","2","150","2","","","","","","","","8","P 63 2 2","P 6c 2c","182","","","","- C221 H192 Ag5 Cl0 F15 N24 O15 S5 -","- C220.98 H192 Ag5 F14.94 N24 O14.94 S5.01 -","- C441.96 H384 Ag10 F29.88 N48 O29.88 S10.02 -","2","0.166667","","Zhang, Xue-Li; Guo, Cui-Ping; Yang, Qing-Yuan; Lu, Tong-Bu; Tong, Ye-Xiang; Su, Cheng-Yong","Discrete Chiral Single-Crystal Microtubes Assembled with Honeycomb Coordination Networks Showing Structural Diversity and Borromean Topology in One Single Crystal","Chemistry of Materials","2007","19","19","4630","","10.1021/cm071767u","","","1.54187","CuKα","","0.1115","0.0757","","","0.1649","0.1791","","","","","","1.015","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4003877","13.6603","0.0006","13.6603","0.0006","9.763","0.0005","90","","90","","120","","1577.74","0.13","300","2","299.93","","","","","","","","","4","P 63 2 2","P 6c 2c","182","","","","- B12 Se12 Sn3.88 Te3.53 -","- B12 Se12 Sn3.874 Te3.528 -","- B24 Se24 Sn7.748 Te7.056 -","2","0.166667","","Chica, Daniel G.; Spanopoulos, Ioannis; Hao, Shiqiang; Wolverton, Chris; Kanatzidis, Mercouri G.","Sn4−δB12Se12[Qx], Q = Se, Te, a B12 Cluster Tunnel Framework Hosting Neutral Chalcogen Chains","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04503","","","1.54178","CuKα","","0.023","0.0215","","","0.0505","0.0508","","","","","","1.153","","","","has coordinates","262280","2021-02-26","23:26:46",""
"4003878","13.5927","0.0007","13.5927","0.0007","9.8167","0.0005","90","","90","","120","","1570.75","0.14","292.98","","292.98","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","","","- B12 Se15.8 Sn4 -","- B12 Se15.795 Sn4 -","- B24 Se31.59 Sn8 -","2","0.166667","","Chica, Daniel G.; Spanopoulos, Ioannis; Hao, Shiqiang; Wolverton, Chris; Kanatzidis, Mercouri G.","Sn4−δB12Se12[Qx], Q = Se, Te, a B12 Cluster Tunnel Framework Hosting Neutral Chalcogen Chains","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04503","","","0.71073","MoKα","","0.019","0.0166","","","0.0372","0.0378","","","","","","1.048","","","","has coordinates","262281","2021-02-26","23:27:19",""
"4027830","12.9772","","12.9772","","9.5322","","90","","90","","120","","1390.23","","","","","","","","","","","","","4","P 63 2 2","P 6c 2c","182","","Cr Si3 (B12) Se12 (B2 Se3)1.327","","- B12 Cr Se15.98 Si3 -","- B12 Cr Se15.98 Si3 -","- B24 Cr2 Se31.96 Si6 -","2","0.166667","","Fukuoka, H.; Saito, T.; Sugimori, M.; Imoto, H.","Preparation and crystal structure of chromium silicon selenide containing a B12 icosahedron with a tunnel structure","Journal of Organometallic Chemistry","2000","611","","547","550","10.1016/S0022-328X(00)00407-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030197","7.383","0.011","7.383","0.011","7.585","0.009","90","","90","","120","","358.1","0.9","","","293","","","","","","","","","4","P 63 2 2","P 6c 2c","182","","","","- K0.23 Li0.09 O3 W -","- K0.24 Li0.13 O3 W -","- K1.44 Li0.78 O18 W6 -","6","0.5","","Slade, Robert C. T.; West, Barbara, C.; Ramanan, A.; David, William I. F.; Harrison, William T. A.","The structure of LixKyWO3. A powder neutron diffraction study","European Journal of Solid State and Inorganic Chemistry","1989","26","","15","22","","powder diffraction","neutron","","white","","","","","","","","","0.1531","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4102682","7.3084","0.0002","7.3084","0.0002","8.1705","0.0003","90","","90","","120","","377.94","0.02","290","2","290","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H7.02 N O6 Zn -","- C6 H14.04 N2 O12 Zn2 -","2","0.166667","","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","","0.022","0.0191","","","0.0444","0.0453","","","","","","1.08","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4106843","7.3622","0.0002","7.3622","0.0002","8.4885","0.0003","90","","90","","120","","398.45","0.02","290","2","290","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Mn N O6 -","- C3 H7.02 Mn N O6 -","- C6 H14.04 Mn2 N2 O12 -","2","0.166667","","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","","0.0222","0.0202","","","0.0508","0.0512","","","","","","1.132","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106845","7.3236","0.0002","7.3236","0.0002","8.318","0.0004","90","","90","","120","","386.37","0.02","290","2","290","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Fe N O6 -","- C3 H7.02 Fe N O6 -","- C6 H14.04 Fe2 N2 O12 -","2","0.166667","","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","","0.0376","0.0232","","","0.0501","0.053","","","","","","1.088","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106847","7.3058","0.0002","7.3058","0.0002","8.1897","0.0004","90","","90","","120","","378.56","0.02","290","2","290","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Co N O6 -","- C3 H7.02 Co N O6 -","- C6 H14.04 Co2 N2 O12 -","2","0.166667","","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","","0.0265","0.0208","","","0.0464","0.0474","","","","","","1.092","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106849","7.2861","0.0013","7.2861","0.0013","8.0207","0.0016","90","","90","","120","","368.75","0.12","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N Ni O6 -","- C3 H7.02 N Ni O6 -","- C6 H14.04 N2 Ni2 O12 -","2","0.166667","","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","","0.018","0.0168","","","0.0418","0.0421","","","","","","1.172","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106850","7.3084","0.0002","7.3084","0.0002","8.1705","0.0003","90","","90","","120","","377.94","0.02","290","2","290","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H7.02 N O6 Zn -","- C6 H14.04 N2 O12 Zn2 -","2","0.166667","","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","","0.022","0.0191","","","0.0444","0.0453","","","","","","1.08","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4107265","15.5732","0.0019","15.5732","0.0019","25.258","0.003","90","","90","","120","","5305","1.1","123","2","123","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","11201","","","- C78 H120 Al2 Fe2 N10 P6 -","- C78 H120 Al2 Fe2 N10 P6 -","- C156 H240 Al4 Fe4 N20 P12 -","2","0.166667","","P. Alex Rudd; Shengsi Liu; Laura Gagliardi; Victor G. Young; Connie C. Lu","Metal-Alane Adducts with Zero-Valent Nickel, Cobalt, and Iron","Journal of the American Chemical Society","2011","133","","20724","20727","10.1021/ja2099744","","","0.71073","MoKα","","0.062","0.047","","","0.1333","0.142","","","","","","1.043","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4109900","22.9408","0.0007","22.9408","0.0007","12.998","0.0008","90","","90","","120","","5924.1","0.4","298","2","298","2","","","","","","","","7","P 63 2 2","P 6c 2c","182","","","","- C108.5 H131 F9 N9 O27.5 S3 Tb -","- C96 H81 F9 N9 O15 S3 Tb -","- C192 H162 F18 N18 O30 S6 Tb2 -","2","0.166667","","Joseph P. Leonard; Paul Jensen; Thomas McCabe; John E. O'Brien; Robert D. Peacock; Paul E. Kruger; Thorfinnur Gunnlaugsson","Self-Assembly of Chiral Luminescent Lanthanide Coordination Bundles","Journal of the American Chemical Society","2007","129","","10986","10987","10.1021/ja073049e","","","0.71073","MoKα","","0.0354","0.0339","","","0.0847","0.0855","","","","","","1.116","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109901","22.944","0.001","22.944","0.001","13.002","0.001","90","","90","","120","","5927.6","0.6","298","2","298","2","","","","","","","","7","P 63 2 2","P 6c 2c","182","","","","- C108.5 H131 Eu F9 N9 O27.5 S3 -","- C96 H81 Eu F9 N9 O15 S3 -","- C192 H162 Eu2 F18 N18 O30 S6 -","2","0.166667","","Joseph P. Leonard; Paul Jensen; Thomas McCabe; John E. O'Brien; Robert D. Peacock; Paul E. Kruger; Thorfinnur Gunnlaugsson","Self-Assembly of Chiral Luminescent Lanthanide Coordination Bundles","Journal of the American Chemical Society","2007","129","","10986","10987","10.1021/ja073049e","","","0.71073","MoKα","","0.0346","0.0332","","","0.0857","0.0865","","","","","","1.129","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109902","22.8459","0.0006","22.8459","0.0006","12.8911","0.0004","90","","90","","120","","5826.9","0.3","153","2","153","2","","","","","","","","7","P 63 2 2","P 6c 2c","182","","","","- C109.5 H135 F9 N9 O28.5 S3 Sm -","- C96 H81 F9 N9 O15 S3 Sm -","- C192 H162 F18 N18 O30 S6 Sm2 -","2","0.166667","","Joseph P. Leonard; Paul Jensen; Thomas McCabe; John E. O'Brien; Robert D. Peacock; Paul E. Kruger; Thorfinnur Gunnlaugsson","Self-Assembly of Chiral Luminescent Lanthanide Coordination Bundles","Journal of the American Chemical Society","2007","129","","10986","10987","10.1021/ja073049e","","","0.71073","MoKα","","0.0576","0.0551","","","0.1363","0.1382","","","","","","1.188","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109903","23.098","0.002","23.098","0.002","12.99","0.002","90","","90","","120","","6001.9","1.2","298","2","298","2","","","","","","","","7","P 63 2 2","P 6c 2c","182","","","","- C96 H81 F9 N9 Nd O15 S3 -","- C96 H81 F9 N9 Nd O15 S3 -","- C192 H162 F18 N18 Nd2 O30 S6 -","2","0.166667","","Joseph P. Leonard; Paul Jensen; Thomas McCabe; John E. O'Brien; Robert D. Peacock; Paul E. Kruger; Thorfinnur Gunnlaugsson","Self-Assembly of Chiral Luminescent Lanthanide Coordination Bundles","Journal of the American Chemical Society","2007","129","","10986","10987","10.1021/ja073049e","","","0.71073","MoKα","","0.0521","0.0445","","","0.1179","0.1231","","","","","","1.084","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4111680","18.53","0.003","18.53","0.003","31.483","0.006","90","","90","","120","","9362","3","110","2","110","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","{[Co(bpy)2]3[Fe(CN)6]2}[Fe(CN)6]1/3","{[Co(bpy)2]3[Fe(CN)6]2}[Fe(CN)6]1/3","","- C74 H88 Co3 Fe2.33 N26 O20 -","- C73.98 H48 Co3 Fe2.33 N25.98 O20.01 -","- C295.92 H192 Co12 Fe9.32 N103.92 O80.04 -","4","0.333333","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.0799","0.0699","","","0.1892","0.1963","","","","","","1.122","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4118371","7.3041","0.0006","7.3041","0.0006","8.164","0.0015","90","","90","","120","","377.2","0.08","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0259","0.025","","","0.0507","0.0511","","","","","","1.151","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118372","7.2829","0.0009","7.2829","0.0009","8.1691","0.0009","90","","90","","120","","375.24","0.08","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0269","0.0257","","","0.0506","0.0511","","","","","","1.132","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118373","7.272","0.0008","7.272","0.0008","8.1678","0.0009","90","","90","","120","","374.06","0.07","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0286","0.0263","","","0.0563","0.0566","","","","","","1.146","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118374","7.2649","0.0009","7.2649","0.0009","8.1683","0.0009","90","","90","","120","","373.35","0.08","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0314","0.0228","","","0.0494","0.0514","","","","","","1.113","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118375","7.2411","0.0008","7.2411","0.0008","8.1789","0.0008","90","","90","","120","","371.39","0.07","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0288","0.0213","","","0.0491","0.054","","","","","","1.237","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118376","7.2282","0.0004","7.2282","0.0004","8.1778","0.0004","90","","90","","120","","370.02","0.03","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0526","0.0314","","","0.059","0.07","","","","","","1.205","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118377","7.2138","0.0004","7.2138","0.0004","8.1805","0.0004","90","","90","","120","","368.67","0.03","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0248","0.0235","","","0.0527","0.0535","","","","","","1.156","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118378","7.1937","0.0004","7.1937","0.0004","8.1788","0.0004","90","","90","","120","","366.54","0.03","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0291","0.0273","","","0.0623","0.0631","","","","","","1.08","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4306875","7.3557","0.0015","7.3557","0.0015","8.4779","0.0017","90","","90","","120","","397.25","0.14","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Mn N O6 -","- C3 H7.02 Mn N O6 -","- C6 H14.04 Mn2 N2 O12 -","2","0.166667","","Zheming Wang; Bin Zhang; Katsuya Inoue; Hideki Fujiwara; Takeo Otsuka; Hayao Kobayashi; Mohamedally Kurmoo","Occurrence of a Rare 49.66 Structural Topology, Chirality, and Weak Ferromagnetism in the [NH4][MII(HCOO)3] (M = Mn, Co, Ni) Frameworks","Inorganic Chemistry","2007","46","","437","445","10.1021/ic0610031","","","0.71073","MoKα","","0.0216","0.0195","","","0.0441","0.0443","","","","","","1.152","","","","has coordinates","179106","2020-10-21","18:00:00",""
"4306876","7.297","0.002","7.297","0.002","8.179","0.002","90","","90","","120","","377.15","0.17","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Co N O6 -","- C3 H7.02 Co N O6 -","- C6 H14.04 Co2 N2 O12 -","2","0.166667","","Zheming Wang; Bin Zhang; Katsuya Inoue; Hideki Fujiwara; Takeo Otsuka; Hayao Kobayashi; Mohamedally Kurmoo","Occurrence of a Rare 49.66 Structural Topology, Chirality, and Weak Ferromagnetism in the [NH4][MII(HCOO)3] (M = Mn, Co, Ni) Frameworks","Inorganic Chemistry","2007","46","","437","445","10.1021/ic0610031","","","0.71073","MoKα","","0.0166","0.0157","","","0.0413","0.0415","","","","","","1.192","","","","has coordinates","179106","2020-10-21","18:00:00",""
"4306877","7.2861","0.0013","7.2861","0.0013","8.0207","0.0016","90","","90","","120","","368.75","0.12","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N Ni O6 -","- C3 H7.02 N Ni O6 -","- C6 H14.04 N2 Ni2 O12 -","2","0.166667","","Zheming Wang; Bin Zhang; Katsuya Inoue; Hideki Fujiwara; Takeo Otsuka; Hayao Kobayashi; Mohamedally Kurmoo","Occurrence of a Rare 49.66 Structural Topology, Chirality, and Weak Ferromagnetism in the [NH4][MII(HCOO)3] (M = Mn, Co, Ni) Frameworks","Inorganic Chemistry","2007","46","","437","445","10.1021/ic0610031","","","0.71073","MoKα","","0.018","0.0168","","","0.0418","0.0421","","","","","","1.172","","","","has coordinates","179106","2020-10-21","18:00:00",""
"4315550","22.249","0.003","22.249","0.003","25.906","0.005","90","","90","","120","","11106","3","263","2","263","2","","","","","","","","4","P 63 2 2","P 6c 2c","182","Zn4O(spiro)-RT (DUT-7(RT))","","","- C57 H42 O13 Zn4 -","- C57 H42 O13 Zn4 -","- C228 H168 O52 Zn16 -","4","0.333333","","Kristina Gedrich; Irena Senkovska; Igor A. Baburin; Uwe Mueller; Oliver Trapp; Stefan Kaskel","New Chiral and Flexible Metal-Organic Framework with a Bifunctional Spiro Linker and Zn4O-Nodes","Inorganic Chemistry","2010","49","","4440","4446","10.1021/ic9022085","","","0.88561","synchrotron","","0.0509","0.0467","","","0.1321","0.136","","","","","","1.021","","","","has coordinates","179235","2020-10-21","18:00:00",""
"4320485","4.622411","0.00002","4.622411","","4.305901","","90","","90","","120","","79.6768","0.0003","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- N Ni3 -","- N Ni3 -","- N2 Ni6 -","2","0.166667","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","2.22","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4320488","4.626407","0.000023","4.626407","","4.30998","","90","","90","","120","","79.8902","0.0004","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- N Ni3 -","- N Ni3 -","- N2 Ni6 -","2","0.166667","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.68","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4320491","4.628995","0.000024","4.628995","","4.31263","","90","","90","","120","","80.0288","0.0004","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- N Ni3 -","- N Ni3 -","- N2 Ni6 -","2","0.166667","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.64","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4320494","4.631653","0.000025","4.631652","","4.31543","","90","","90","","120","","80.1727","0.0004","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- N Ni3 -","- N Ni3 -","- N2 Ni6 -","2","0.166667","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.69","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4320497","4.632942","0.000026","4.632942","","4.31714","","90","","90","","120","","80.2492","0.0005","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- N Ni3 -","- N Ni3 -","- N2 Ni6 -","2","0.166667","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.84","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4320500","4.633861","0.000028","4.633861","","4.31867","","90","","90","","120","","80.3095","0.0005","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- N Ni3 -","- N Ni3 -","- N2 Ni6 -","2","0.166667","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.89","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4320503","4.636302","0.000033","4.636302","","4.32179","","90","","90","","120","","80.4522","0.0006","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- N Ni3 -","- N Ni3 -","- N2 Ni6 -","2","0.166667","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.96","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4320506","4.634816","0.000029","4.634816","","4.32018","","90","","90","","120","","80.3706","0.0005","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- N Ni3 -","- N Ni3 -","- N2 Ni6 -","2","0.166667","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.94","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4320509","4.63798","0.00005","4.63798","","4.32334","","90","","90","","120","","80.5393","0.0009","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- N Ni3 -","- N Ni3 -","- N2 Ni6 -","2","0.166667","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.35","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4322502","14.8971","0.0015","14.8971","0.0015","19.2849","0.0019","90","","90","","120","","3706.4","0.6","291","2","291","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C84 H84 Fe Li3 O12 -","- C84 H84 Fe Li3 O12 -","- C168 H168 Fe2 Li6 O24 -","2","0.166667","","Ronald J. Cross; Louis J. Farrugia; Duncan R. McArthur; Robert D. Peacock; Douglas S. C. Taylor","Syntheses, Crystal Structures, and CD Spectra of Simple Heterobimetallic Transition Metal Binaphtholates","Inorganic Chemistry","1999","38","","5698","5702","10.1021/ic990414x","","","0.71073","MoKα","","0.1331","0.0843","","","0.219","0.254","","","","","","0.928","","","","has coordinates","179328","2020-10-21","18:00:00",""
"4322503","14.85","0.004","14.85","0.004","19.052","0.007","90","","90","","120","","3638.5","1.9","564","2","291","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C76.8 H69.6 Cr Li3 O10.2 -","- C76.8 H36 Cr Li3 O10.2 -","- C153.6 H72 Cr2 Li6 O20.4 -","2","0.166667","","Ronald J. Cross; Louis J. Farrugia; Duncan R. McArthur; Robert D. Peacock; Douglas S. C. Taylor","Syntheses, Crystal Structures, and CD Spectra of Simple Heterobimetallic Transition Metal Binaphtholates","Inorganic Chemistry","1999","38","","5698","5702","10.1021/ic990414x","","","0.71073","MoKα","","0.1297","0.0768","","","0.2012","0.2279","","","","","","0.94","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335109","13.3451","0.0002","13.3451","0.0002","23.8732","0.0006","90","","90","","120","","3682.01","0.12","296","2","296","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C24 H51 Cr Ni3 O66 Sb12 -","- C24 H12 Cr Ni3 O66 Sb12 -","- C48 H24 Cr2 Ni6 O132 Sb24 -","2","0.166667","","Qiang Gao; Xiqu Wang; Joshua Tapp; Angela Moeller; Allan J. Jacobson","Antimony Tartrate Transition-Metal-Oxo Chiral Clusters","Inorganic Chemistry","2013","52","","6610","6616","10.1021/ic4006345","","","0.71073","MoKα","","0.0201","0.0192","","","0.0556","0.0559","","","","","","1.097","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4336944","16.2964","0.0003","16.2964","0.0003","18.6865","0.0003","90","","90","","120","","4297.76","0.13","180","2","180","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C42 H106 Fe7 N O68 S2 -","- C42 H66 Fe7 N O68 S2 -","- C84 H132 Fe14 N2 O136 S4 -","2","0.166667","","M. Menelaou; E. Vournari; V. Psycharis; C. P. Raptopoulou; A. Terzis; V. Tangoulis; Y. Sanakis; C. Mateescu; A. Salifoglou","Heptanuclear Antiferromagnetic Fe(III)-d-(-)-Quinato Assemblies with an S= 3/2 Ground State-pH-Specific Synthetic Chemistry, Spectroscopic, Structural, and Magnetic Susceptibility Studies","Inorganic Chemistry","2013","52","","13849","13860","10.1021/ic401036e","","","1.54178","CuKα","","0.0494","0.0446","","","0.1273","0.132","","","","","","1.068","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4344304","11.007","","11.007","","11.894","","90","","90","","120","","1247.95","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","Cs Nb6 I11","","- Cs I11 Nb6 -","- Cs I11 Nb6 -","- Cs2 I22 Nb12 -","2","0.166667","","Imoto, H.; Corbett, J.D.","A More Reduced Nb6 I8 Cluster. Synthesis and Structure of Cs Nb6 I11 and Its Hydride Cs Nb6 I11 H","Inorganic Chemistry","1980","19","","1241","1245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4501215","19.0892","0.0009","19.0892","0.0009","24.5573","0.0012","90","","90","","120","","7749.7","0.6","298","2","298","2","","","","","","","","7","P 63 2 2","P 6c 2c","182","","","","- C54 H101 Fe14 K3 N2 O116 Sb12 -","- C48 H24 Fe14 K3 O92.8 Sb12 -","- C96 H48 Fe28 K6 O185.6 Sb24 -","2","0.166667","","Gao, Qiang; Wang, Xiqu; Conato, Marlon T.; Makarenko, Tatyana; Jacobson, Allan J.","Microporous, Homochiral Structures Containing Iron Oxo-Clusters Supported by Antimony(III) Tartrate Scaffolds","Crystal Growth & Design","2011","11","10","4632","","10.1021/cg200899w","","","0.71073","MoKα","","0.0457","0.0356","","","0.1298","0.1371","","","","","","1.215","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4518147","13.2935","0.0005","13.2935","0.0005","40.9","0.0016","90","","90","","120","","6259.4","0.4","150","","150.15","","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C120 H96 Br9 Co4 Mn2 N24 -","- C120 H96 Br9 Co4 Mn2 N24 -","- C240 H192 Br18 Co8 Mn4 N48 -","2","0.166667","","Dorval, Céline; Tricoire, Maxime; Begouin, Jeanne-Marie; Gandon, Vincent; Gosmini, Corinne","Cobalt-Catalyzed C(sp2)‒CN Bond Activation: Cross-Electrophile Coupling for Biaryl Formation and Mechanistic Insight","ACS Catalysis","2020","","","12819","12827","10.1021/acscatal.0c03903","","","0.71073","MoKα","","0.0443","0.0343","","","0.0796","0.0829","","","","","","1.022","","","","has coordinates","258494","2020-10-21","18:00:00",""
"5910042","6.98","","6.98","","7.15","","90","","90","","120","","301.681","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- F3 Sm -","- F18 Sm6 -","- F18 Sm6 -","","","","Wyckoff, R. W. G.","Pages 261 from the second edition of Structure of Crystals by Wyckoff R W G. Published by The Chemical Catalog Company, INC, New York in 1931 & http://www.crystallography.net/","The second edition of Structure of Crystals","1931","","","261","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","297166","2025-01-07","09:01:01",""
"7000894","14.575","0.003","14.575","0.003","13.889","0.004","90","","90","","120","","2555.2","1","298","2","298","2","","","","","","","","8","P 63 2 2","P 6c 2c","182","","","","- C42 H54 Co3 F6 K N12 O12 P -","- C42 H54 Co3 F5.96 K N12 O12 P -","- C84 H108 Co6 F11.92 K2 N24 O24 P2 -","2","0.166667","","Yang, Hong; Chen, Jia-Min; Sun, Jing-Jia; Yang, Shi-Ping; Yu, Jie; Tan, Hong; Li, Wei","Syntheses, crystal structures and magnetic properties of three novel cobalt(ii) complexes containing imidazole derivative groups","Dalton Transactions","2009","","14","2540","2551","10.1039/b808385a","","","0.71073","MoKα","","0.1205","0.1205","","","0.1583","0.1748","","","","","","1","","","","has coordinates,has disorder","179686","2020-10-21","18:00:00",""
"7015521","6.9978","0.0002","6.9978","0.0002","8.4687","0.0004","90","","90","","120","","359.15","0.02","110","2","110","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H3 Co K O6 -","- C3 H3 Co K O6 -","- C6 H6 Co2 K2 O12 -","2","0.166667","","Duan, Zhiming; Wang, Zheming; Gao, Song","Irreversible transformation of chiral to achiral polymorph of K[Co(HCOO)3]: synthesis, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4465","4473","10.1039/c0dt01701a","","","0.71073","MoKα","","0.0306","0.022","","","0.0524","0.0543","","","","","","1.043","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7015522","6.993","0.0013","6.993","0.0013","8.4439","0.0015","90","","90","","120","","357.6","0.11","180","2","180","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H3 Co K O6 -","- C3 H3 Co K O6 -","- C6 H6 Co2 K2 O12 -","2","0.166667","","Duan, Zhiming; Wang, Zheming; Gao, Song","Irreversible transformation of chiral to achiral polymorph of K[Co(HCOO)3]: synthesis, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4465","4473","10.1039/c0dt01701a","","","0.71073","MoKα","","0.0235","0.0189","","","0.0454","0.0465","","","","","","1.178","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7015523","7.0124","0.0014","7.0124","0.0014","8.427","0.0018","90","","90","","120","","358.87","0.13","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H3 Co K O6 -","- C3 H3 Co K O6 -","- C6 H6 Co2 K2 O12 -","2","0.166667","","Duan, Zhiming; Wang, Zheming; Gao, Song","Irreversible transformation of chiral to achiral polymorph of K[Co(HCOO)3]: synthesis, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4465","4473","10.1039/c0dt01701a","","","0.71073","MoKα","","0.0239","0.0206","","","0.0532","0.0541","","","","","","1.194","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7016649","18.643","0.003","18.643","0.003","24.945","0.005","90","","90","","120","","7508","2","123","2","123","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C135 H111 Cd6 N24 Na2 O30 -","- C135 H111 Cd6 N24 Na2 O30 -","- C270 H222 Cd12 N48 Na4 O60 -","2","0.166667","","Li, Yun-Wu; Wang, Li-Fu; He, Kun-Huan; Chen, Qiang; Bu, Xian-He","A sixfold interpenetrated microporous MOF constructed from heterometallic tetranuclear cluster exhibiting selective gas adsorption.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10319","10321","10.1039/c1dt10554j","","","0.71073","MoKα","","0.0648","0.0593","","","0.1537","0.1581","","","","","","1.108","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7039291","13.896","0.005","13.896","0.005","9.687","0.006","90","","90","","120","","1619.9","1.3","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","(K3I)In4(B12Se12)","","","- B12 I In4 K3 Se12 -","- B12 I0.9996 In4 K3 Se12 -","- B24 I1.9992 In8 K6 Se24 -","2","0.166667","","Guo, Sheng-Ping; Chi, Yang; Liu, Bin-Wen; Guo, Guo-Cong","Synthesis, crystal structure and second-order nonlinear optical property of a novel pentanary selenide (K3I)[InB12(InSe4)3].","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10459","10465","10.1039/c6dt01602b","","","0.71073","MoKα","","0.0732","0.0668","","","0.1841","0.1903","","","","","","0.977","","","","has coordinates","185366","2020-10-21","18:00:00",""
"7042854","23.63","0.005","23.63","0.005","41.39","0.005","90","0.005","90","0.005","120","0.005","20015","7","293","2","293","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C62.25 H45.25 Cu6 F36 N16.75 O4.75 -","- C48 H12 Cu5 F36 N12 -","- C288 H72 Cu30 F216 N72 -","6","0.5","","Fritzsche, Julia Christina; Grzywa, Maciej; Denysenko, Dmytro; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Volkmer, Dirk","CFA-4 - a fluorinated metal-organic framework with exchangeable interchannel cations","Dalton Trans.","2017","","","","","10.1039/C7DT00582B","","","0.88561","synchrotron","","0.1011","0.0506","","","0.1387","0.1656","","","","","","0.983","","","","has coordinates,has disorder","195901","2020-10-21","18:00:00",""
"7049041","29.9131","0.0009","29.9131","0.0009","29.352","0.0016","90","","90","","120","","22745.3","1.6","296","2","296","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C63 H45 Cu24 Na6 O118 P -","- C63 H45 Cu24 Na6 O118 P -","- C252 H180 Cu96 Na24 O472 P4 -","4","0.333333","","Meng, Wei; Ye, Hongfang; Liu, Shuai; Xu, Feng; Xu, Weijian","Emergence of complex chiral coordination clusters {CuNa<sub>12</sub>} by using multiple ligands under oxidizing conditions.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3204","3208","10.1039/c9dt00209j","","","0.71073","MoKα","","0.082","0.0541","","","0.1563","0.1781","","","","","","1.035","","","","has coordinates","223805","2020-10-21","18:00:00",""
"7049042","30.1147","0.0009","30.1147","0.0009","29.317","0.0016","90","","90","","120","","23025.4","1.6","296","2","296","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C63 H45 Cu24 Na6 O118 P -","- C63 H45 Cu24 Na6 O118 P -","- C252 H180 Cu96 Na24 O472 P4 -","4","0.333333","","Meng, Wei; Ye, Hongfang; Liu, Shuai; Xu, Feng; Xu, Weijian","Emergence of complex chiral coordination clusters {CuNa<sub>12</sub>} by using multiple ligands under oxidizing conditions.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3204","3208","10.1039/c9dt00209j","","","0.71073","MoKα","","0.0726","0.0623","","","0.1797","0.1936","","","","","","0.855","","","","has coordinates","223805","2020-10-21","18:00:00",""
"7102226","17.791","0.004","17.791","0.004","37.231","0.015","90","","90","","120","","10206","5","173","2","173","2","","","","","","","","8","P 63 2 2","P 6c 2c","182","","","","- C194 H160 Ag5 Cl6 F30 N36 O Sb5 -","- C194.01 H156 Ag5 Cl6.03 F29.96 N36 O Sb4.99 -","- C388.02 H312 Ag10 Cl12.06 F59.92 N72 O2 Sb9.98 -","2","0.166667","","Zhang, Xue-Li; Guo, Cui-Ping; Yang, Qing-Yuan; Wang, Wei; Liu, Wei-Sheng; Kang, Bei-Sheng; Su, Cheng-Yong","Formation of two (6,3) networks showing structural diversity, Borromean topology and conformational chirality in the same crystal","Chemical Communications (Cambridge, United Kingdom)","2007","","41","4242","4244","10.1039/b709118d","","","0.71073","MoKα","","0.1193","0.0721","","","0.1818","0.2111","","","","","","1.034","","","","has coordinates,has disorder","210751","2020-10-21","18:00:00",""
"7102227","17.9271","0.0006","17.9271","0.0006","37.53","0.003","90","","90","","120","","10445.5","0.9","150","2","150","2","","","","","","","","7","P 63 2 2","P 6c 2c","182","","","","- C204 H171 Ag5 F30 N24 O1.5 Sb5 -","- C204 H168 Ag5 F29.96 N24 O1.5 Sb4.99 -","- C408 H336 Ag10 F59.92 N48 O3 Sb9.98 -","2","0.166667","","Zhang, Xue-Li; Guo, Cui-Ping; Yang, Qing-Yuan; Wang, Wei; Liu, Wei-Sheng; Kang, Bei-Sheng; Su, Cheng-Yong","Formation of two (6,3) networks showing structural diversity, Borromean topology and conformational chirality in the same crystal","Chemical Communications (Cambridge, United Kingdom)","2007","","41","4242","4244","10.1039/b709118d","","","0.71073","MoKα","","0.0984","0.0811","","","0.1836","0.1924","","","","","","1.011","","","","has coordinates,has disorder","210751","2020-10-21","18:00:00",""
"7104623","12.9213","0.0016","12.9213","0.0016","9.3181","0.0017","90","","90","","120","","1347.3","0.3","293","2","293","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","K3ISmGa3B12S12","K3ISmGa3B12S12","","- B12 Ga3 I K3 S12 Sm -","- B12 Ga3 I K3 S12 Sm -","- B24 Ga6 I2 K6 S24 Sm2 -","2","0.166667","","Guo, Sheng-Ping; Guo, Guo-Cong; Wang, Ming-Sheng; Zou, Jian-Ping; Zeng, Hui-Yi; Cai, Li-Zhen; Huang, Jin-Shun","A facile approach to hexanary chalcogenoborate featuring a 3-D chiral honeycomb-like open-framework constructed from rare-earth consolidating thiogallate-closo-dodecaborate.","Chemical communications (Cambridge, England)","2009","34","29","4366","4368","10.1039/b906124j","","","0.71073","MoKα","","0.0593","0.0427","","","0.0856","0.0926","","","","","","0.946","","","","has coordinates","180149","2020-10-21","18:00:00",""
"7105679","18.5773","0.0003","18.5773","0.0003","22.6933","0.0005","90","","90","","120","","6782.6","0.2","100","2","100","2","","","","","","","","4","P 63 2 2","P 6c 2c","182","","","","- C57 H48 Cu6 O36 -","- C57 H36 Cu6 O36 -","- C114 H72 Cu12 O72 -","2","0.166667","","Wenge Qiu; Jason Perman; Lukasz Wojtas; Mohamed Eddaoudi; Michael Zaworotko","Structural Diversity through Ligand Flexibility: Two Novel Metal-Organic Nets via Ligand-to-Ligand Cross-Linking of ""Paddlewheels""","Chem.Commun.","2010","46","","8734","","10.1039/c0cc03270k","","","1.54178","CuKα","","0.0398","0.0328","","","0.0775","0.0798","","","","","","0.985","","","","has coordinates","180160","2020-10-21","18:00:00",""
"7107527","21.508","0.0007","21.508","0.0007","25.7514","0.0013","90","","90","","120","","10316.5","0.7","100","2","100","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C63 H51 Ag2 Cl2 N13 O12 -","- C63 H51 Ag2 Cl2 N13 O12 -","- C378 H306 Ag12 Cl12 N78 O72 -","6","0.5","","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","","0.1012","0.0946","","","0.2553","0.2603","","","","","","1.108","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7110298","21.79","0.003","21.79","0.003","12.02","0.002","90","","90","","120","","4942.5","1.3","298","2","298","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C84 H63 Ag8 N21 O10 -","- C84 H63 Ag8 N21 O10 -","- C168 H126 Ag16 N42 O20 -","2","0.166667","","Yang, Guang; Raptis, Raphael G.","A robust, porous, cationic silver(i) 3,5-diphenyl-1,2,4-triazolate framework with a uninodal 49.66 netElectronic supplementary information (ESI) available: experimental details, XPRD patterns, TGA curves and IR spectra. See http://www.rsc.org/suppdata/cc/b4/b404269g/","Chemical Communications","2004","","18","2058","2059","10.1039/b404269g","","","0.71073","MoKα","","0.1616","0.0655","","","0.1626","0.201","","","","","","0.923","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110299","21.599","0.003","21.599","0.003","12.196","0.002","90","","90","","120","","4927.4","1.3","293","2","293","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C84 H60 Ag8 B2 F8 N18 -","- C84 H60 Ag8 B F4 N18 -","- C168 H120 Ag16 B2 F8 N36 -","2","0.166667","","Yang, Guang; Raptis, Raphael G.","A robust, porous, cationic silver(i) 3,5-diphenyl-1,2,4-triazolate framework with a uninodal 49.66 netElectronic supplementary information (ESI) available: experimental details, XPRD patterns, TGA curves and IR spectra. See http://www.rsc.org/suppdata/cc/b4/b404269g/","Chemical Communications","2004","","18","2058","2059","10.1039/b404269g","","","0.71073","MoKα","","0.1073","0.0533","","","0.157","0.1841","","","","","","1.016","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7118458","13.008","0.0002","13.008","0.0002","50.2913","0.0012","90","","90","","120","","7369.6","0.2","293","2","293","2","","","","","","","","7","P 63 2 2","P 6c 2c","182","","","","- C150 H116 Cl2 Cu3 La6 N12 O56 -","- C150 H101.94 Cl2 Cu3 La6 N12 O50.01 -","- C300 H203.88 Cl4 Cu6 La12 N24 O100.02 -","2","0.166667","","Fang, Wei-Hui; Zhang, Lei; Zhang, Jian; Yang, Guo-Yu","Halogen dependent symmetry change in two series of wheel cluster organic frameworks built from La18 tertiary building units.","Chemical communications (Cambridge, England)","2016","52","7","1455","1457","10.1039/c5cc08702c","","","1.54178","CuKα","","0.0729","0.0687","","","0.1662","0.1688","","","","","","1.081","","","","has coordinates","174472","2020-10-21","18:00:00",""
"7119274","19.613","0.003","19.613","0.003","13.849","0.003","90","","90","","120","","4613.6","1.4","100","2","100","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C18 H36 Cu4 N10 O12 -","- C18 H30 Cu4 N9 O6 -","- C72 H120 Cu16 N36 O24 -","4","0.333333","","Song, Bai-Qiao; Chen, Da-Qin; Ji, Zhenguo; Tang, Junhong; Wang, Xin-Long; Zang, Hong-Ying; Su, Zhong-Min","Control of bulk homochirality and proton conductivity in isostructural chiral metal-organic frameworks.","Chemical communications (Cambridge, England)","2017","53","11","1892","1895","10.1039/c6cc07729c","","","0.71073","MoKα","","0.0932","0.0583","","","0.1581","0.1785","","","","","","1.058","","","","has coordinates","191487","2020-10-21","18:00:00",""
"7119275","19.603","0.005","19.603","0.005","13.939","0.005","90","","90","","120","","4639","2","100","2","100","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C24 H48 Cu4 N10 O6 -","- C24 H42 Cu4 N9 -","- C96 H168 Cu16 N36 -","4","0.333333","","Song, Bai-Qiao; Chen, Da-Qin; Ji, Zhenguo; Tang, Junhong; Wang, Xin-Long; Zang, Hong-Ying; Su, Zhong-Min","Control of bulk homochirality and proton conductivity in isostructural chiral metal-organic frameworks.","Chemical communications (Cambridge, England)","2017","53","11","1892","1895","10.1039/c6cc07729c","","","0.71069","MoKα","","0.0709","0.0475","","","0.1204","0.1332","","","","","","1.028","","","","has coordinates","191487","2020-10-21","18:00:00",""
"7119276","19.593","0.004","19.593","0.004","13.927","0.003","90","","90","","120","","4630.1","1.7","100","2","100","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C24 H48 Cu4 N10 O6 -","- C24 H42 Cu4 N9 -","- C96 H168 Cu16 N36 -","4","0.333333","","Song, Bai-Qiao; Chen, Da-Qin; Ji, Zhenguo; Tang, Junhong; Wang, Xin-Long; Zang, Hong-Ying; Su, Zhong-Min","Control of bulk homochirality and proton conductivity in isostructural chiral metal-organic frameworks.","Chemical communications (Cambridge, England)","2017","53","11","1892","1895","10.1039/c6cc07729c","","","0.71073","MoKα","","0.0737","0.0482","","","0.1264","0.1416","","","","","","1.006","","","","has coordinates","191487","2020-10-21","18:00:00",""
"7119277","19.6977","0.0013","19.6977","0.0013","13.8757","0.001","90","","90","","120","","4662.5","0.5","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C18 H30 Cu4 N10 O12 -","- C18 H30 Cu4 N9 O6 -","- C72 H120 Cu16 N36 O24 -","4","0.333333","","Song, Bai-Qiao; Chen, Da-Qin; Ji, Zhenguo; Tang, Junhong; Wang, Xin-Long; Zang, Hong-Ying; Su, Zhong-Min","Control of bulk homochirality and proton conductivity in isostructural chiral metal-organic frameworks.","Chemical communications (Cambridge, England)","2017","53","11","1892","1895","10.1039/c6cc07729c","","","0.71073","MoKα","","0.0782","0.0566","","","0.1424","0.1507","","","","","","1.006","","","","has coordinates,has disorder","191487","2020-10-21","18:00:00",""
"7128167","13.4333","0.0013","13.4333","0.0013","27.74","0.006","90","","90","","120","","4335.1","1.1","100","2","100","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C90 H54 F24 Fe2 N12 P4 -","- C90 H54 Fe2 N12 -","- C180 H108 Fe4 N24 -","2","0.166667","","Siddique, Rashid G.; Arachchige, Kasun S. A.; Al-Fayaad, Hydar A; Brock, Aidan J.; Micallef, Aaron S.; Luis, Ena T.; Thoburn, John D.; McMurtrie, John C.; Clegg, Jack K.","The kinetics and mechanism of interconversion within a system of [Fe<sub>2</sub>L<sub>3</sub>]<sup>4+</sup> helicates and [Fe<sub>4</sub>L<sub>6</sub>]<sup>8+</sup> cages.","Chemical communications (Cambridge, England)","2021","57","40","4918","4921","10.1039/d1cc01583d","","","0.7108","synchrotron","","0.0587","0.0552","","","0.1847","0.188","","","","","","1.181","","","","has coordinates","265883","2021-06-05","17:28:52",""
"7132993","19.9064","0.0002","19.9064","0.0002","33.451","0.0005","90","","90","","120","","11479.6","0.2","100.15","","100.15","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C174 H256 N6 O34 S24 -","- C126 H112 N6 O10.0002 -","- C252 H224 N12 O20.0004 -","2","0.166667","","Shields, C. E.; Fellowes, T.; Slater, A. G.; Cooper, A. I.; Andrews, K. G.; Szczypiński, F T","Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation.","Chemical communications (Cambridge, England)","2024","60","47","6023","6026","10.1039/d4cc01407c","","","0.6889","synchrotron","","0.1987","0.1451","","","0.3485","0.3888","","","","","","1.203","","","","has coordinates,has disorder","292813","2024-07-05","13:30:22",""
"7154780","18.74","0.003","18.74","0.003","22.056","0.003","90","","90","","120","","6708.1","1.8","100","2","100","2","","","","","","","","4","P 63 2 2","P 6c 2c","182","","","","- C54 H72 N6 O3 -","- C54 H72 N6 O3 -","- C216 H288 N24 O12 -","4","0.333333","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","0.71073","MoKα","","0.0465","0.0427","","","0.1151","0.1172","","","","","","1.096","","","","has coordinates","176144","2020-10-21","18:00:00",""
"7154781","18.64","0.003","18.64","","22.083","0.003","90","","90","","120","","6644.8","1.4","100","2","100","2","","","","","","","","4","P 63 2 2","P 6c 2c","182","","","","- C54 H72 N6 O3 -","- C54 H72 N6 O3 -","- C216 H288 N24 O12 -","4","0.333333","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","0.71073","MoKα","","0.0677","0.051","","","0.1206","0.1271","","","","","","1.058","","","","has coordinates","176144","2020-10-21","18:00:00",""
"7214100","18.423","0.005","18.423","0.005","26.934","0.007","90","","90","","120","","7917","4","173","2","173","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C120 H180 Co6 N6 O50 Zr6 -","- C120 H180 Co6 N6 O50 Zr6 -","- C240 H360 Co12 N12 O100 Zr12 -","2","0.166667","","Malaestean, Iurie L.; Alıcı, Meliha Kutluca; Besson, Claire; Ellern, Arkady; Kögerler, Paul","Solid-state coexistence of {Zr12} and {Zr6} zirconium oxocarboxylate clusters","CrystEngComm","2014","16","1","43","","10.1039/c3ce41829d","","","0.71073","MoKα","","0.0855","0.085","","","0.2102","0.2106","","","","","","1.232","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7218068","7.309","0.0002","7.309","0.0002","8.1701","0.0003","90","","90","","120","","377.98","0.02","300","2","300","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H7 N O6 Zn -","- C6 H14 N2 O12 Zn2 -","2","0.166667","","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","","0.0183","0.018","","","0.0487","0.0492","","","","","","1.074","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7226831","7.161","0.0002","7.161","0.0002","8.0474","0.0004","90","","90","","120","","357.38","0.02","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","","0.41168","synchrotron","","0.0604","0.0499","","","0.1216","0.1369","","","","","","1.239","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226832","7.1208","0.0006","7.1208","0.0006","8.0513","0.0004","90","","90","","120","","353.55","0.05","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","","0.41168","synchrotron","","0.0682","0.0496","","","0.1086","0.1276","","","","","","1.1","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226834","7.2864","0.00016","7.2864","0.00016","8.05248","0.00018","90","","90","","120","","370.243","0.014","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","","0.71073","MoKα","","0.0257","0.021","","","0.0448","0.0455","","","","","","1.169","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226835","7.26097","0.00016","7.26097","0.00016","8.0811","0.0002","90","","90","","120","","368.969","0.015","100","2","100","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H7 N Ni O6 -","- C6 H14 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","","0.71073","MoKα","","0.0188","0.0179","","","0.0473","0.0477","","","","","","1.176","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7228403","8.0241","0.0004","8.0241","0.0004","7.3421","0.0004","90","","90","","120","","409.4","0.04","295","","295","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C8 H18 N2 Ni2 O13 -","- C8 H18.0016 N2.0004 Ni2 O13.0002 -","- C8 H18.0016 N2.0004 Ni2 O13.0002 -","1","0.0833333","","Trzebiatowska, Monika; Zarychta, Bartosz; Pikul, Adam; maczka, miroslaw; Peksa, Paula; Poprawski, Ryszard","Polar metal-formate frameworks templated with 1,2-diaminoethane-water assemblies showing ferromagnetic and ferroelectric properties","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02301D","","","0.71073","MoKα","","0.0247","0.0222","","","0.0451","0.0455","","","","","","1.183","","","","has coordinates","197596","2020-10-21","18:00:00",""
"7229682","9.1366","0.0003","9.1366","0.0003","14.4247","0.0011","90","","90","","120","","1042.81","0.09","295","2","295","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C6 H24 Ag2 I4 Mn N6 -","- C6 H24 Ag2 I4 Mn N6 -","- C12 H48 Ag4 I8 Mn2 N12 -","2","0.166667","","Chen, Xin; Yao, Zhi-Yuan; Xue, Chen; Yang, Zhu-Xi; Liu, Jian-Lan; Ren, Xiao-Ming","Novel isomorphism of two hexagonal non-centrosymmetric hybrid crystals of M(en)3Ag2I4 (M = transition metal Mn2+ or main-group metal Mg2+; en = ethylenediamine)","CrystEngComm","2018","20","3","356","","10.1039/C7CE02005H","","","0.71073","MoKα","","0.0186","0.0181","","","0.0386","0.0388","","","","","","1.199","","","","has coordinates","229159","2020-10-21","18:00:00",""
"7229683","9.0744","0.0008","9.0744","0.0008","14.453","0.002","90","","90","","120","","1030.68","0.19","273","2","273","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C6 H24 Ag2 I4 Mg N6 -","- C6 H24 Ag2 I4 Mg N6 -","- C12 H48 Ag4 I8 Mg2 N12 -","2","0.166667","","Chen, Xin; Yao, Zhi-Yuan; Xue, Chen; Yang, Zhu-Xi; Liu, Jian-Lan; Ren, Xiao-Ming","Novel isomorphism of two hexagonal non-centrosymmetric hybrid crystals of M(en)3Ag2I4 (M = transition metal Mn2+ or main-group metal Mg2+; en = ethylenediamine)","CrystEngComm","2018","20","3","356","","10.1039/C7CE02005H","","","0.71073","MoKα","","0.0176","0.0174","","","0.0342","0.0343","","","","","","1.171","","","","has coordinates","229159","2020-10-21","18:00:00",""
"7229709","9.2512","0.0012","9.2512","0.0012","14.504","0.005","90","","90","","120","","1075","0.4","293","2","293","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C6 H24 Ag2 Cd I4 N6 -","- C6 H24 Ag2 Cd I4 N6 -","- C12 H48 Ag4 Cd2 I8 N12 -","2","0.166667","","Yu, Shan-Shan; Liu, Shao-Xian; Zhu, Yi-Xiao; Duan, Hai-Bao; Zhang, H.","Relaxor-like and switchable dielectric behavior in a rare noncentrosymmetric 3D iodoargentate hybrid","RSC Advances","2017","7","89","56153","","10.1039/C7RA11033B","","","0.71073","MoKα","","0.0483","0.0468","","","0.105","0.1064","","","","","","1.228","","","","has coordinates","204213","2020-10-21","18:00:00",""
"7231402","7.3678","0.0007","7.3678","0.0007","8.4912","0.0009","90","","90","","120","","399.19","0.07","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Mn N O6 -","- C3 H7.0002 Mn N O6 -","- C6 H14.0004 Mn2 N2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41111","synchrotron","","0.0489","0.0413","","","0.0987","0.112","","","","","","1.193","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231403","7.32804","0.00014","7.32804","0.00014","8.4964","0.00019","90","","90","","120","","395.131","0.014","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Mn N O6 -","- C3 H7.0002 Mn N O6 -","- C6 H14.0004 Mn2 N2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41111","synchrotron","","0.0359","0.0301","","","0.0665","0.0788","","","","","","1.249","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231404","7.33778","0.00019","7.33778","0.00019","8.4822","0.0003","90","","90","","120","","395.52","0.02","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Mn N O6 -","- C3 H7.0002 Mn N O6 -","- C6 H14.0004 Mn2 N2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41111","synchrotron","","0.0338","0.0272","","","0.06","0.068","","","","","","1.151","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231413","7.3163","0.00011","7.3163","0.00011","8.31849","0.00016","90","","90","","120","","385.619","0.011","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Fe N O6 -","- C3 H7.0002 Fe N O6 -","- C6 H14.0004 Fe2 N2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41111","synchrotron","","0.0354","0.0277","","","0.0629","0.077","","","","","","1.241","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231415","7.1831","0.0002","7.1831","0.0002","8.0511","0.0002","90","","90","","120","","359.757","0.017","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41128","synchrotron","","0.0379","0.0315","","","0.061","0.0668","","","","","","1.253","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231416","7.3249","0.0003","7.3249","0.0003","8.3197","0.0004","90","","90","","120","","386.58","0.03","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Fe N O6 -","- C3 H7.0002 Fe N O6 -","- C6 H14.0004 Fe2 N2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41111","synchrotron","","0.0324","0.0262","","","0.0578","0.0659","","","","","","1.262","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231417","7.1272","0.0003","7.1272","0.0003","8.0615","0.0003","90","","90","","120","","354.64","0.02","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41128","synchrotron","","0.0631","0.0476","","","0.0871","0.0976","","","","","","1.123","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231418","7.24917","0.00009","7.24917","0.00009","8.04612","0.00012","90","","90","","120","","366.179","0.008","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41128","synchrotron","","0.0299","0.0249","","","0.0556","0.0628","","","","","","1.221","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231419","7.28439","0.00016","7.28439","0.00016","8.3359","0.0002","90","","90","","120","","383.062","0.015","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Fe N O6 -","- C3 H7.0002 Fe N O6 -","- C6 H14.0004 Fe2 N2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41111","synchrotron","","0.0355","0.026","","","0.057","0.0704","","","","","","1.254","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231420","7.2211","0.0002","7.2211","0.0002","8.049","0.0003","90","","90","","120","","363.48","0.02","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41128","synchrotron","","0.0333","0.0298","","","0.0587","0.0622","","","","","","1.27","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231421","7.3044","0.00013","7.3044","0.00013","8.31833","0.00018","90","","90","","120","","384.358","0.013","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Fe N O6 -","- C3 H7.0002 Fe N O6 -","- C6 H14.0004 Fe2 N2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41111","synchrotron","","0.0335","0.0262","","","0.0603","0.0723","","","","","","1.258","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231424","7.2789","0.00018","7.2789","0.00018","8.0555","0.0002","90","","90","","120","","369.619","0.016","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41128","synchrotron","","0.0296","0.0249","","","0.0569","0.0625","","","","","","1.244","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231426","7.29055","0.00013","7.29055","0.00013","8.32778","0.00017","90","","90","","120","","383.337","0.012","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Fe N O6 -","- C3 H7.0002 Fe N O6 -","- C6 H14.0004 Fe2 N2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41111","synchrotron","","0.0335","0.026","","","0.0541","0.067","","","","","","1.203","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231427","7.15551","0.00017","7.15551","0.00017","8.05112","0.00017","90","","90","","120","","357","0.014","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41128","synchrotron","","0.0539","0.0395","","","0.0706","0.0858","","","","","","1.214","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231430","7.2974","0.0003","7.2974","0.0003","8.485","0.0005","90","","90","","120","","391.31","0.03","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Mn N O6 -","- C3 H7.0002 Mn N O6 -","- C6 H14.0004 Mn2 N2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41111","synchrotron","","0.0615","0.0482","","","0.1111","0.1271","","","","","","1.144","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231431","7.28362","0.00013","7.28362","0.00013","8.04848","0.00018","90","","90","","120","","369.776","0.012","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41128","synchrotron","","0.0366","0.0285","","","0.0588","0.0722","","","","","","1.21","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7246794","5.1765","","5.1765","","8.5758","","90","","90","","120","","199.011","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","Strontium Dialuminate - Ht","","- Al2 O4 Sr -","- Al2 O6 Sr -","- Al4 O12 Sr2 -","2","0.166667","","Zhang, Kai-ming; Ji, Min-fang; Zhou, Xue-Yi; Xuan, Fang; Duan, Bo-yuan; Yuan, Yuan; Liu, Guang-xiang; Duan, Hai-bao; Zhao, Hai-rong","The proton conduction behavior of two 1D open-framework metal phosphates with similar crystal structures and different hydrogen bond networks","RSC Advances","2023","13","19","12703","12711","10.1039/D3RA01130E","","","","","","0.0238","","","","","","","","","","","","","","","has coordinates","283802","2023-05-16","01:19:02",""
"7248307","9.0389","0.0011","9.0389","0.0011","14.437","0.003","90","","90","","120","","1021.5","0.3","293","2","293","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C6 H24 Ag2 Co I4 N6 -","- C6 H24 Ag2 Co I4 N6 -","- C12 H48 Ag4 Co2 I8 N12 -","2","0.166667","","Gao, Yan; Yang, Xiao; Ren, Taohong; Jia, Dingxian","Facile syntheses, structures and photocatalytic properties of 3D iodoargentate frameworks derived from TM-flexible-amino-ligand templates","CrystEngComm","2024","26","16","2172","2179","10.1039/D4CE00247D","","","0.71073","MoKα","","0.0252","0.024","","","0.0545","0.0551","","","","","","1.273","","","","has coordinates","291593","2024-05-05","02:14:58",""
"7248308","9.0851","0.0011","9.0851","0.0011","14.411","0.003","90","","90","","120","","1030.1","0.3","293","2","293","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C6 H24 Ag2 Fe I4 N6 -","- C6 H24 Ag2 Fe I4 N6 -","- C12 H48 Ag4 Fe2 I8 N12 -","2","0.166667","","Gao, Yan; Yang, Xiao; Ren, Taohong; Jia, Dingxian","Facile syntheses, structures and photocatalytic properties of 3D iodoargentate frameworks derived from TM-flexible-amino-ligand templates","CrystEngComm","2024","26","16","2172","2179","10.1039/D4CE00247D","","","0.71073","MoKα","","0.0299","0.0235","","","0.0478","0.0501","","","","","","1.122","","","","has coordinates","291593","2024-05-05","02:15:03",""
"8100180","8.9594","0.0001","8.9594","0.0001","9.5448","0.0002","90","","90","","120","","663.522","0.017","293","2","293","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C6 H24 Co F6 Ga N6 -","- C6 H24 Co F6 Ga N6 -","- C12 H48 Co2 F12 Ga2 N12 -","2","0.166667","","Loiseau, Thierry; Serpaggi, Fabien; Ferey, Gérard","Crystal structure of tris(ethylendiamine-N,N')cobalt(III) hexafluorogallate, Co(C~2~H~8~N~2~)~3~[GaF~6~]","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","469","470","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8103754","5.2788","","5.2788","","8.7835","","90","","90","","120","","211.967","","","","","","","","","","","","","4","P 63 2 2","P 6c 2c","182","","Ba (Al Ga O4)","","- Al Ba Ga O4 -","- Al Ba Ga O3.999 -","- Al2 Ba2 Ga2 O7.998 -","2","0.166667","","Kahlenberg, V.; Parise, J.B.; Tripathi, A.; Lee, Y.","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",""
"9000460","14.375","","14.375","","4.615","","90","","90","","120","","825.882","","","","","","","","","","","","","4","P 63 2 2","P 6c 2c","182","","","Pseudorutile","- Fe4.728 Mn0.272 O27 Ti9.67 -","- Fe4.728 Mn0.272 O27 Ti9.67 -","- Fe9.456 Mn0.544 O54 Ti19.34 -","2","0.166667","","Grey, I. E.; Reid, A. F.","The structure of pseudorutile and its role in the natural alteration of ilmenite","American Mineralogist","1975","60","","898","906","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9004540","6.2261","","6.2261","","12.28","","90","","90","","120","","412.25","","","","","","","","","","","","","4","P 63 2 2","P 6c 2c","182","","","Calciotantite","- Ca Nb1.179 O11 Ta2.821 -","- Ca Nb1.179 O11 Ta2.821 -","- Ca2 Nb2.358 O22 Ta5.642 -","2","0.166667","","Cooper, M. A.; Hawthorne, F. C.; Cerny, P.","Ta-Nb order in the crystal structure of niobium-rich calciotantite","The Canadian Mineralogist","1999","37","","1289","1294","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9009527","6.245","","6.245","","12.323","","90","","90","","120","","416.209","","","","","","","","","","","","Kola Peninsula, Russia","5","P 63 2 2","P 6c 2c","182","","","Calciotantite","- Ca0.94 Na0.06 Nb0.13 O10.97 Ta3.86 -","- Ca0.94 Na0.06 Nb0.13 O10.97 Ta3.86 -","- Ca1.88 Na0.12 Nb0.26 O21.94 Ta7.72 -","2","0.166667","","Yamnova, N. A.; Pushcharovsky D Yu; Voloshin, A. V.","Identity of ungursaite with calciotantite and synthetic CaTa4O11 Note: displacement parameters taken from ICSD","Soviet Physics Crystallography","1988","33","","498","499","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9011966","5.782","","5.782","","12.629","","90","","90","","120","","365.642","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","","","- Mn0.98 Nb3 S6 -","- Mn0.98 Nb3 S6 -","- Mn1.96 Nb6 S12 -","2","0.166667","","Anzenhofer, K.; van den Berg, J. M.; Cossee, P.; Helle, J. N.","The crystal structures and magnetic susceptibilities of MnNb3S6, FeNb3S6, CoNb3S6 and NiNb3S6","Journal of Physics and Chemistry of Solids","1970","31","","1057","1067","10.1016/0022-3697(70)90315-X","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011967","5.768","","5.768","","11.886","","90","","90","","120","","342.466","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","","","- Nb3 Ni S6 -","- Nb3 Ni S6 -","- Nb6 Ni2 S12 -","2","0.166667","","Anzenhofer, K.; van den Berg, J. M.; Cossee, P.; Helle, J. N.","The crystal structures and magnetic susceptibilities of MnNb3S6, FeNb3S6, CoNb3S6 and NiNb3S6","Journal of Physics and Chemistry of Solids","1970","31","","1057","1067","10.1016/0022-3697(70)90315-X","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011968","5.768","","5.768","","11.886","","90","","90","","120","","342.466","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","","","- Co0.95 Nb3 S6 -","- Co0.95 Nb3 S6 -","- Co1.9 Nb6 S12 -","2","0.166667","","Anzenhofer, K.; van den Berg, J. M.; Cossee, P.; Helle, J. N.","The crystal structures and magnetic susceptibilities of MnNb3S6, FeNb3S6, CoNb3S6 and NiNb3S6","Journal of Physics and Chemistry of Solids","1970","31","","1057","1067","10.1016/0022-3697(70)90315-X","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011969","5.761","","5.761","","12.201","","90","","90","","120","","350.689","","","","","","","","","","","","Synthetic","3","P 63 2 2","P 6c 2c","182","","","Edgarite","- Fe Nb3 S6 -","- Fe Nb3 S6 -","- Fe2 Nb6 S12 -","2","0.166667","","Anzenhofer, K.; van den Berg, J. M.; Cossee, P.; Helle, J. N.","The crystal structures and magnetic susceptibilities of MnNb3S6, FeNb3S6, CoNb3S6 and NiNb3S6","Journal of Physics and Chemistry of Solids","1970","31","","1057","1067","10.1016/0022-3697(70)90315-X","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""