# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-06T11:01:56+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 42/m b c' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000183","5.0564","0.0001","5.0564","0.0001","12.7113","0.0002","90","","90","","90","","325","","","","","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","Ammonium tetrafluoroaluminate","","- Al F4 H4 N -","- Al F4 H4 N -","- Al4 F16 H16 N4 -","4","0.25","","Bulou, A; Leble, A; Hewat, A W","NH~4~AlF~4~: Determination of the Ordered and Disordered Structures by Neutron Powder Profile Refinement","Materials Research Bulletin","1982","17","","391","397","10.1016/0025-5408(82)90090-3","","","","","","0.0656","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000275","5.0569","0.0001","5.0569","0.0001","12.7091","0.0003","90","","90","","90","","325","","","","","","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","Rubidium ammonium tetrafluoroaluminate (0.03/1/1)","","- Al F4 H3.88 N0.97 Rb0.03 -","- Al F4 H3.88 N0.97 Rb0.03 -","- Al4 F16 H15.52 N3.88 Rb0.12 -","4","0.25","","Jouanneaux, A; Leble, A; Pannetier, J; Fourquet, J L","A neutron powder diffraction study of Rb~x~ (N H~4~)~1-x~ Al F~4~ mixed compounds","Journal of Physics: Condensed Matter","1989","1","","1577","1588","10.1088/0953-8984/1/9/004","","","","","","0.1528","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1005028","11.773","0.002","11.773","0.002","5.409","0.001","90","","90","","90","","749.7","","","","","","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","Distrontium dinitridogermanate(II)","","- Ge N2 Sr2 -","- Ge N2 Sr2 -","- Ge8 N16 Sr16 -","8","0.5","","Clarke, S J; Kowach, G R; DiSalvo, F J","Synthesis and structure of two new strontium germanium nitrides: Sr3 Ge2 N2 and Sr2 Ge N2","Inorganic Chemistry","1996","35","","7009","7012","10.1021/ic960518x","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010994","8.353","0.005","8.353","0.005","5.051","0.01","90","","90","","90","","352.4","","","","","","","","","","","","synthetic","2","P 42/m b c","-P 4c 2ab","135","","Selenium oxide","Downeyite","- O2 Se -","- O2 Se -","- O16 Se8 -","8","0.5","","McCullough, J D","The Crystal Structure of Selenium Dioxide","Journal of the American Chemical Society","1937","59","","789","794","10.1021/ja01284a004","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1519748","22.06","0.003","22.06","0.003","19.537","0.003","90","","90","","90","","9508","2","120","2","120","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","","","- C58 H50 Cl4 Mn3 N26 O16 -","- C58 H50 Cl4 Mn3 N26 O16 -","- C232 H200 Cl16 Mn12 N104 O64 -","4","0.25","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C58 H50 Cl4 Mn3 N26 O16","Crystal Structure Report Archive","2005","","","1064","","","","","0.71073","MoKα","","0.1472","0.0871","","","0.2465","0.2819","","","","","","1.051","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1521541","12.406","","12.406","","10.411","","90","","90","","90","","1602.34","","","","","","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","Na3.12 Al2 (P O4)2 F3","","- Al2 F3 Na3.12 O8 P2 -","- Al2 F3 Na3.12 O8 P2 -","- Al16 F24 Na24.96 O64 P16 -","8","0.5","","le Meins, J.M.; Crosnier-Lopez, M.P.; Courbion, G.; Hemon-Ribaud, A.","Phase transitions in the Na3 M2 (P O4)2 F3 family (M = Al(3+), V(3+), Cr(3+), Fe(3+), Ga(3+)) : synthesis, thermal, structural and magnetic studies","Journal of Solid State Chemistry","1999","148","","260","277","","","","","","","","","","","","","","","","","","","","","","has coordinates","141753","2020-10-21","18:00:00",""
"1521542","12.382","","12.382","","10.387","","90","","90","","90","","1592.47","","","","","","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","Na3.296 Al2 (P O4)2 F3","","- Al2 F3 Na3.296 O8 P2 -","- Al2 F3 Na3.296 O8 P2 -","- Al16 F24 Na26.368 O64 P16 -","8","0.5","","le Meins, J.M.; Crosnier-Lopez, M.P.; Hemon-Ribaud, A.; Courbion, G.","Phase transitions in the Na3 M2 (P O4)2 F3 family (M = Al(3+), V(3+), Cr(3+), Fe(3+), Ga(3+)) : synthesis, thermal, structural and magnetic studies","Journal of Solid State Chemistry","1999","148","","260","277","","","","","","","","","","","","","","","","","","","","","","has coordinates","141754","2020-10-21","18:00:00",""
"1530748","14.648","","14.648","","13.922","","90","","90","","90","","2987.16","","","","","","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","(P Cl4)3 (Ti Cl6) (P Cl6)","","- Cl24 P4 Ti -","- Cl24 P4 Ti -","- Cl96 P16 Ti4 -","4","0.25","","Shamir, J.; Schneider, S.; Cohen, S.; Bino, A.","New double salt (P Cl4)3 (Ti Cl6) (P Cl6) and related compounds in the P Cl5 - Ti Cl4 system. Synthesis and structural determination by Raman spectroscopy and X-ray analysis","Inorganica Chimica Acta","1986","111","","141","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532751","7.829","","7.829","","6.143","","90","","90","","90","","376.524","","","","","","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","Li (H S)","","- H Li S -","- H Li S -","- H8 Li8 S8 -","8","0.5","","Winkler, B.; Hytha, M.; Milman, V.","The low-temperature structure of Li S H","Phase Transition","2003","76","","187","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534439","8.501","","8.501","","5.921","","90","","90","","90","","427.893","","","","","","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","Zn Sb2 O4","","- O4 Sb2 Zn -","- O4 Sb2 Zn -","- O16 Sb8 Zn4 -","4","0.25","","Gavarri, J.R.","Evoluton structurale d'oxydes isomorphes Me X2 O4: Relation entre dilation, vibrations et rigidite","Journal of Solid State Chemistry","1982","43","","12","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534446","8.372","","8.372","","5.908","","90","","90","","90","","414.094","","","","","","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","Ni Sb2 O4","","- Ni O4 Sb2 -","- Ni O4 Sb2 -","- Ni4 O16 Sb8 -","4","0.25","","Gavarri, J.R.","Evoluton structurale d'oxydes isomorphes Me X2 O4: Relation entre dilation, vibrations et rigidite","Journal of Solid State Chemistry","1982","43","","12","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534597","8.476","","8.476","","8.476","","90","","90","","90","","608.938","","","","","","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","Mg Sb2 O4","","- Mg O4 Sb2 -","- Mg O4 Sb2 -","- Mg4 O16 Sb8 -","4","0.25","","Giroux-Maraine, C.; Perez, G.","Structure cristalline de l'antimonite de magnesium Mg Sb2 O4","Revue de Chimie Minerale","1975","12","","427","432","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1534792","8.1463","","8.1463","","4.99129","","90","","90","","90","","331.233","","","","","","","","","","","","","2","P 42/m b c","-P 4c 2ab","135","","Se O2","","- O2 Se -","- O2 Se -","- O16 Se8 -","8","0.5","","Grzechnik, A.; Farina, L.; Bouvier, P.; Lauck, R.; Loa, I.; Syassen, K.","Pressure-induced transformations in Se O2","Journal of Solid State Chemistry","2002","168","","184","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535058","8.3871","","8.3871","","18.5634","","90","","90","","90","","1305.81","","","","","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","Co6 (Te O3)2 (Te O6) Cl2","","- Cl2 Co6 O12 Te3 -","- Cl2 Co6 O12 Te3 -","- Cl8 Co24 O48 Te12 -","4","0.25","","Becker, R.; Johnsson, M.","Crystal structure of the new compound Co6 (Te O3)2 (Te O6) Cl2","Solid State Sciences","2004","6","","519","522","","","","","","","","","","","","","","","","","","","","","","has coordinates","162219","2020-10-21","18:00:00",""
"1535511","17.1325","","17.1325","","5.1058","","90","","90","","90","","1498.67","","","","","","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","Zr3 Mn4 Si6","","- Mn4 Si6 Zr3 -","- Mn4 Si6 Zr3 -","- Mn32 Si48 Zr24 -","8","0.5","","Tkachuk, A.V.; Crerar, S.J.; Mar, A.","Synthesis and structure of ternary transition-metal silicides Zr3 Mn4 Si6 and Hf3 Mn4 Si6","Journal of Solid State Chemistry","2004","177","","3939","3943","","","","","","","","","","","","","","","","","","","","","","has coordinates","162910","2020-10-21","18:00:00",""
"1537983","8.806","","8.806","","6.564","","90","","90","","90","","509.01","","","","","","","","","","","","","2","P 42/m b c","-P 4c 2ab","135","","Pb3 O4","","- O4 Pb3 -","- O4 Pb3 -","- O16 Pb12 -","4","0.25","","Bystroem, A.M.","Lead oxide","Arkiv foer Kemi, Mineralogi och Geologi","1947","25","","13","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","166377","2020-10-21","18:00:00",""
"1539514","8.508","","8.508","","5.932","","90","","90","","90","","429.394","","","","","","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","Sb2 Zn O4","","- O4 Sb2 Zn -","- O4 Sb2 Zn -","- O16 Sb8 Zn4 -","4","0.25","","Stahl, S.","The crystal structure of Zn Sb3 O4 and isomorpous compounds","Arkiv foer Kemi, Mineralogi och Geologi","1943","17","","1","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540910","12.485","","12.485","","8.122","","90","","90","","90","","1266.02","","","","","","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","Ba3 (Ti (O2) F5)2 (H2 O)2","","- Ba3 F10 H4 O6 Ti2 -","- Ba3 F10 H4 O6 Ti2 -","- Ba12 F40 H16 O24 Ti8 -","4","0.25","","Schmidt, R.; Pausewang, G.","Peroxofluorokomplexe der Uebergangsmetalle. Part IX. Kristallstruktur von Ba3 (Ti (O2) F5)2 (H2 O)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","575","","197","201","","","","","","","","","","","","","","","","","","","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1543942","26.123","0.004","26.123","0.004","14.146","0.002","90","","90","","90","","9653","2","93","2","93","2","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","","","- C88 H24 O4 -","- C88 H24 O4 -","- C704 H192 O32 -","8","0.5","","Umeyama, Tomokazu; Miyata, Tetsushi; Jakowetz, Andreas C.; Shibata, Sho; Kurotobi, Kei; Higashino, Tomohiro; Koganezawa, Tomoyuki; Tsujimoto, Masahiko; Gélinas, Simon; Matsuda, Wakana; Seki, Shu; Friend, Richard H.; Imahori, Hiroshi","Regioisomer effects of [70]fullerene mono-adduct acceptors in bulk heterojunction polymer solar cells.","Chemical science","2017","8","1","181","188","10.1039/c6sc02950g","","","1.54187","CuKα","","0.1284","0.1177","","","0.4081","0.4472","","","","","","1.077","","","","has coordinates,has disorder","196323","2020-10-21","18:00:00",""
"2000360","13.1959","0.0008","13.1959","0.0008","26.6986","0.0011","90","","90","","90","","4649.1","0.4","","","","","","","","","","","","3","P 42/m b c","-P 4c 2ab","","","","","- C23 H32 O8 -","- C24 H34 O8 -","- C192 H272 O64 -","8","0.5","DU0316","Drouin, M.; Lamothe, S.; Michel, A. G.","Functionalized hydrocarbons with condensed ring skeletons. XII. A methyltricyclo[8.4.0.0^2,7^]tetradec-8-ene and a vinylcyclododeca-3,9-diene, products from competing intramolecular Diels-Alder cycloadditions","Acta Crystallographica Section C","1992","48","12","2151","2154","10.1107/S0108270192004426","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002165","14.962","0.001","14.962","0.001","13.6315","0.0015","90","","90","","90","","3051.6","","","","","","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","Tris(tetrachlorophosphorus) bis(hexachlororhenate)","","- Cl24 P3 Re2 -","- Cl24 P3 Re2 -","- Cl96 P12 Re8 -","4","0.25","","Beck, J; Mueller-Buschbaum, K; Wolf, F","On tetrachlorophosphonium chlorometallates of rhenium and molybdenum: Syntheses, crystal structures and magnetism of (P Cl4)2 (Re2 Cl10) and (P Cl4)3 (Re Cl6)2 and the magnetic properties of (P Cl4)2 (Mo2 Cl10)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","975","981","10.1002/(SICI)1521-3749(199906)625:6<975::AID-ZAAC975>3.0.CO;2-#","","","","","","0.1335","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2005725","12.529","0.004","12.529","0.004","12.635","0.008","90","","90","","90","","1983.4","1.5","233","2","293","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- C19 H14 Cl2 Mn2 O6 -","- C19 H12 Cl2 Mn2 O6 -","- C76 H48 Cl8 Mn8 O24 -","4","0.25","BK1272","Utz, T. L.; Geib, S. J.; Cooper, N. J.","Solvate-Dependent Polymorphism: Crystallization of [{Mn(CO)~3~}~2~{μ-(η^5^-C~6~H~6~-η^5^-C~6~H~6~)}] from CH~2~Cl~2~ as a Mono-Solvate in the Rare Tetragonal Space Group <i>P</i>4~2~/<i>mbc</i>","Acta Crystallographica Section C","1996","52","12","2992","2994","10.1107/S0108270196010815","","","0.71073","MoKα","","0.0835","0.052","","0.155","0.1253","","","","1.062","1.092","1.092","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2106395","12.892","","12.892","","13.519","","90","","90","","90","","2246.91","","","","","","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","Co (N H3)3 (H2 P3 O10)","","- Co H11 N3 O10 P3 -","- Co H11 N3 O10 P3 -","- Co8 H88 N24 O80 P24 -","8","0.5","","Merritt, E.A.; Sundaralingam, M.","Structure and chelation geometry of alpha, beta, gamma-tridentate triammine(dihydrogentriphosphato)cobalt(III), (Co (N H3)3 (H2 P3 O10))","Acta Crystallographica B (24,1968-38,1982)","1981","37","","1505","1509","","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:19:25",""
"2205431","9.5153","0.0003","9.5153","0.0003","6.8933","0.0002","90","","90","","90","","624.13","0.03","185","","185","","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","","","- C5 H10 O2 -","- C5 H10 O2 -","- C20 H40 O8 -","4","0.25","CF6408","Howard A. Shallard-Brown; David J. Watkin; Andrew R. Cowley","Ethyl propionate at 185K","Acta Crystallographica Section E","2005","61","4","o1118","o1120","10.1107/S1600536805005271","","","0.71073","MoKα","","0.0618","0.0618","","0.0996","0.0996","0.0996","","","","","","0.9034","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207675","14.4361","0.0019","14.4361","0.0019","8.2304","0.0015","90","","90","","90","","1715.2","0.4","294","2","294","2","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","N,N'-Bis(2-dimethylaminopropyl)dithiooxamide","","- C12 H26 N4 S2 -","- C12 H26 N4 S2 -","- C48 H104 N16 S8 -","4","0.25","TK6282","Cui, Jian-Zhong; Zhang, Dan; Lu, Fan-Li; Gao, Hong-Ling; Wang, Hai-Tao","<i>N</i>,<i>N</i>'-Bis(3-dimethylaminopropyl)dithiooxamide","Acta Crystallographica Section E","2005","61","12","o4011","o4012","10.1107/S1600536805035828","","","0.71073","MoKα","","0.081","0.045","","","0.115","0.151","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208515","11.9243","0.0002","11.9243","0.0002","14.404","0.0003","90","","90","","90","","2048.09","0.06","120","2","120","2","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","7,10-Diazaflouranthene","Acenaphtho[1,2-b]pyrazine","","- C14 H8 N2 -","- C14 H8 N2 -","- C112 H64 N16 -","8","0.5","BT2022","Thorup, Niels; Eskildsen, Jørgen; Christensen, Jørn B.","Acenaphtho[1,2-<i>b</i>]pyrazine","Acta Crystallographica Section E","2006","62","4","o1291","o1292","10.1107/S1600536806007823","","","0.71073","MoKα","","0.0549","0.0433","","","0.0934","0.0992","","","","","","1.139","","","","has coordinates,has Fobs","301803","2025-08-19","11:20:57",""
"2237915","11.3119","0.0004","11.3119","0.0004","13.6384","0.0009","90","","90","","90","","1745.16","0.14","293","2","293","2","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","Dibarium tetraantimony(III) germanium(IV) decasulfide","","- Ba2 Ge S10 Sb4 -","- Ba2 Ge S10 Sb4 -","- Ba8 Ge4 S40 Sb16 -","4","0.25","JJ2163","Geng, Lei","Ba~2~Sb~4~GeS~10~","Acta Crystallographica Section E","2013","69","5","i24","","10.1107/S1600536813007988","","","0.71073","MoKα","","0.0183","0.0177","","","0.0415","0.0418","","","","","","1.145","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239712","14.761","0.006","14.761","0.006","7.17","0.003","90","","90","","90","","1562.3","1.1","150","2","150","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","<i>catena</i>-Poly[[<i>trans</i>-bis(1,3-benzothiazole-κ<i>N</i>)manganese(II)]-di-μ-chlorido]","","- C14 H10 Cl2 Mn N2 S2 -","- C14 H10 Cl2 Mn N2 S2 -","- C56 H40 Cl8 Mn4 N8 S8 -","4","0.25","LH5716","Bouchareb, Hasna; Benmebarek, Sabrina; Bouacida, Sofiane; Merazig, Hocine; Boudraa, Mhamed","<i>catena</i>-Poly[[<i>trans</i>-bis(1,3-benzothiazole-κ<i>N</i>)manganese(II)]-di-μ-chlorido]","Acta Crystallographica Section E","2014","70","7","m275","","10.1107/S1600536814014159","","","0.71073","MoKα","","0.065","0.0422","","","0.0843","0.0917","","","","","","1.14","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2312819","8.7276","0.0002","8.7276","0.0002","6.297","0.0002","90","","90","","90","","479.65","0.02","298","2","298","2","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","Tin(IV) Dilead Oxide","","- O4 Pb2 Sn -","- O4 Pb2 Sn -","- O16 Pb8 Sn4 -","4","0.25","","Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn","Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2020","76","Pt 6","979","991","10.1107/S205252062001238X","","x-ray","0.71073","MoKα","","0.0303","0.0214","","","0.0231","0.0247","","","","1.27","1.27","1.26","","","","has coordinates","299395","2025-04-25","02:01:33",""
"3000567","8.4914","0.0003","8.4914","0.0003","5.9435","0.0002","90","","90","","90","","428.55","0.03","293","","293","","","","","","","","","3","P 42/m b c","-P 4c 2ab","","","","","- Co O4 Sb2 -","","","","","","ABanerjee","?","To be published in Journal of Materials Chemistry C","","","","","","","","x-ray","1.54059","","","0.0485","0.0421","","0.0484","0.0481","","","","1.1579","","","","","","","","295465","2024-10-12","07:19:50","2025-04-12"
"4000548","8.6126","0.0001","8.6126","0.0001","6.2444","0.0001","90","","90","","90","","463.2","","","","","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","Antimony Lead Manganese Oxide","","- Mn0.639 O4 Pb1.186 Sb1.175 -","- Mn0.639 O4 Pb1.186 Sb1.175 -","- Mn2.556 O16 Pb4.744 Sb4.7 -","4","0.25","","Abakumov, Artem M.; Rozova, Marina G.; Antipov, Evgeny V.; Hadermann, Joke; Van Tendeloo, Gustaaf; Lobanov, Maxim V.; Greenblatt, Martha; Croft, Mark; Lokshin, Konstantin A.; Zhao, Yusheng","","Chemistry of Materials","2005","","","","","10.1021/cm048791h","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000549","8.64111","0.00008","8.64111","0.00008","6.07624","0.00008","90","","90","","90","","453.7","","","","","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","Antimony Lead Manganese Oxide","","- Mn0.92 O4 Pb0.44 Sb1.64 -","- Mn0.92 O4 Pb0.44 Sb1.64 -","- Mn3.68 O16 Pb1.76 Sb6.56 -","4","0.25","","Abakumov, Artem M.; Rozova, Marina G.; Antipov, Evgeny V.; Hadermann, Joke; Van Tendeloo, Gustaaf; Lobanov, Maxim V.; Greenblatt, Martha; Croft, Mark; Lokshin, Konstantin A.; Zhao, Yusheng","","Chemistry of Materials","2005","","","","","10.1021/cm048791h","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000550","8.62028","0.00009","8.62028","0.00009","6.1609","0.0001","90","","90","","90","","457.8","","","","","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","Antimony Lead Manganese Oxide","","- Mn0.77 O4 Pb0.75 Sb1.48 -","- Mn0.77 O4 Pb0.75 Sb1.48 -","- Mn3.08 O16 Pb3 Sb5.92 -","4","0.25","","Abakumov, Artem M.; Rozova, Marina G.; Antipov, Evgeny V.; Hadermann, Joke; Van Tendeloo, Gustaaf; Lobanov, Maxim V.; Greenblatt, Martha; Croft, Mark; Lokshin, Konstantin A.; Zhao, Yusheng","","Chemistry of Materials","2005","","","","","10.1021/cm048791h","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000551","8.60767","0.00008","8.60767","0.00008","6.23142","0.00007","90","","90","","90","","461.7","","","","","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","Antimony Lead Manganese Oxide","","- Mn0.67 O4 Pb1.07 Sb1.26 -","- Mn0.67 O4 Pb1.07 Sb1.26 -","- Mn2.68 O16 Pb4.28 Sb5.04 -","4","0.25","","Abakumov, Artem M.; Rozova, Marina G.; Antipov, Evgeny V.; Hadermann, Joke; Van Tendeloo, Gustaaf; Lobanov, Maxim V.; Greenblatt, Martha; Croft, Mark; Lokshin, Konstantin A.; Zhao, Yusheng","","Chemistry of Materials","2005","","","","","10.1021/cm048791h","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000927","17.835","0.002","17.835","0.002","14.457","0.002","90","","90","","90","","4598.6","1","100","2","100","2","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","","","- C17 H44 N7 Ta -","- C17 H40 N7 Ta -","- C136 H320 N56 Ta8 -","8","0.5","","Chen, Tianniu; Xu, Chongying; Baum, Thomas H.; Stauf, Gregory T.; Roeder, Jeffrey F.; DiPasquale, Antonio G.; Rheingold, Arnold L.","New Tantalum Amido Complexes with Chelate Ligands as Metalorganic (MO) Precursors for Chemical Vapor Deposition (CVD) of Tantalum Nitride Thin Films","Chemistry of Materials","2010","22","1","27","","10.1021/cm9009767","","","0.71073","MoKα","","0.0552","0.0445","","","0.1109","0.1188","","","","","","1.072","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4027941","20.6073","0.0004","20.6073","0.0004","46.635","0.0018","90","","90","","90","","19804.1","0.9","170","","170","","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","","","- C30 H26 N2 -","- C30 H26 N2 -","- C720 H624 N48 -","24","1.5","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.1145","0.0703","","0.1204","0.0809","0.0809","","","","","","1.1058","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4060653","20.232","0.003","20.232","0.003","35.833","0.007","90","","90","","90","","14668","4","293","2","293","2","","","","","","","","7","P 42/m b c","-P 4c 2ab","135","","","","- C25 H15 B F4 N O2 Rh -","- C25 H15 B F4 N O2 Rh -","- C400 H240 B16 F64 N16 O32 Rh16 -","16","1","","","","Organometallics","2006","","","","","10.1021/om0508435","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4067195","17.228","0.0013","17.228","0.0013","20.132","0.003","90","","90","","90","","5975.3","1.1","150","2","150","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","","","- C31 H26 Fe2 O4 P2 S2 -","- C31 H26 Fe2 O4 P2 S2 -","- C248 H208 Fe16 O32 P16 S16 -","8","0.5","","Hogarth, Graeme; Kabir, Shariff E.; Richards, Idris","Diphosphine Mobility at a Binuclear Metal Center: A Concerted Double Trigonal-Twist in Bis(dithiolate) Complexes [M2(CO)4(μ-dppm){μ-S(CH2)nS}] (M = Fe, Ru;n= 2, 3)","Organometallics","2010","29","23","6559","","10.1021/om100894w","","","0.71073","MoKα","","0.0298","0.0272","","","0.0686","0.0699","","","","","","1.078","","","","has coordinates","178562","2020-10-21","18:00:00",""
"4077018","12.6921","0.0001","12.6921","0.0001","16.0685","0.0002","90","","90","","90","","2588.47","0.04","210","2","210","2","","","","","","","","7","P 42/m b c","-P 4c 2ab","135","","","","- C18 H32 Cu F6 N4 O6 S2 -","- C18 H32 Cu F6 N4 O6 S2 -","- C72 H128 Cu4 F24 N16 O24 S8 -","4","0.25","","Kozlowski, Marisa C.; Li, Xiaolin; Carroll, Patrick J.; Xu, Zhenrong","Copper(II) Complexes of Novel 1,5-Diaza-cis-decalin Diamine Ligands: An Investigation of Structure and Reactivity","Organometallics","2002","21","21","4513","","10.1021/om020425p","","","0.71069","MoKα","","0.0593","0.0579","","0.1324","0.1314","","","","1.166","1.168","1.168","","","","","has coordinates","301830","2025-08-20","13:17:25",""
"4124678","8.37","","8.37","","5.061","","90","","90","","90","","354.558","","","","","","","","","","","","","2","P 42/m b c","-P 4c 2ab","135","","Se O2","","- O2 Se -","- O2 Se -","- O16 Se8 -","8","0.5","","McCullough, J.D.","The crystal structure of selenium dioxide","Journal of the American Chemical Society","1937","59","","789","794","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4306902","11.07041","0.00031","11.07041","","11.8917","0.0005","90","","90","","90","","1457.38","0.07","","","","","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- D4.52 H0.48 O8.5 Si Ti2 -","- D4.518 H2.8 O8.5 Si Ti2 -","- D36.144 H22.4 O68 Si8 Ti16 -","8","0.5","","Aaron J. Celestian; John B. Parise; Ronald I. Smith; Brian H. Toby; Abraham Clearfield","Role of the Hydroxyl-Water Hydrogen-Bond Network in Structural Transitions and Selectivity toward Cesium in Cs0.38(D1.08H0.54)SiTi2O7.(D0.86H0.14)2O Crystalline Silicotitanate","Inorganic Chemistry","2007","46","","1081","1089","10.1021/ic0611387","powder diffraction","","","","","","","","","","","","","2.01","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310706","14.0153","0.0014","14.0153","0.0014","13.0833","0.0018","90","","90","","90","","2569.9","0.5","293","2","293","2","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","","","- H7 O15 P U3 -","- O15 P U3 -","- O120 P8 U24 -","8","0.5","","Peter C. Burns; Cara M. Alexopoulos; Peter J. Hotchkiss; Andrew J. Locock","An Unprecedented Uranyl Phosphate Framework in the Structure of [(UO2)3(PO4)O(OH)(H2O)2](H2O)","Inorganic Chemistry","2004","43","","1816","1818","10.1021/ic0348547","","","0.71073","MoKα","","","0.0336","","","","0.0538","","","","","","0.751","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310713","8.335","0.0002","8.335","0.0002","5.06","0.0001","90","","90","","90","","351.529","0.014","173","2","173","2","","","","","","","","2","P 42/m b c","-P 4c 2ab","135","","","","- O2 Se -","- O2 Se -","- O16 Se8 -","8","0.5","","Tiina Maaninen; Heikki M. Tuononen; Gabriele Schatte; Reijo Suontamo; Jussi Valkonen; Risto Laitinen; Tristram Chivers","Experimental and Theoretical Investigations of Structural Trends for Selenium(IV) Imides and Oxides: X-ray Structure of Se3(NAd)2","Inorganic Chemistry","2004","43","","2097","2104","10.1021/ic034944b","","","0.71073","MoKα","","0.0233","0.0231","","","0.0581","0.0582","","","","","","1.105","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4321047","11.2004","0.0008","11.2004","0.0008","5.0482","0.0006","90","","90","","90","","633.29","0.1","293","2","293","2","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","Calcium germanium nitride","","- Ca2 Ge N2 -","- Ca2 Ge N2 -","- Ca16 Ge8 N16 -","8","0.5","","S. J. Clarke; F. J. DiSalvo","New Calcium Germanium Nitrides: Ca2GeN2, Ca4GeN4, and Ca5Ge2N6","Inorganic Chemistry","2000","39","","2631","2634","10.1021/ic991427d","","","0.71073","MoKα","","0.0201","0.0165","","0.0362","0.0353","","","","1.108","1.139","1.139","","","","","has coordinates","179313","2020-10-21","18:00:00",""
"4324190","16.533","","16.533","","20.512","","90","","90","","90","","5606.75","","100","2","100","2","","","","","","","","7","P 42/m b c","-P 4c 2ab","135","","","","- C46 H80 B2 N12 Ni2 O8 P2 -","- C46 H80 B2 N12 Ni2 O8 P2 -","- C184 H320 B8 N48 Ni8 O32 P8 -","4","0.25","","Luisa López-Banet; M. Dolores Santana; Gabriel García; Luis García; José Pérez; Teófilo Rojo; Luis Lezama; Jean-Pierre Costes","Crystal Structures and Magnetic Properties of Nickel Complexes with Hydrotris(pyrazolyl)borate Ligand and Double Bridged by Phosphate Esters","Inorganic Chemistry","2011","50","","437","443","10.1021/ic100980x","","","0.71073","MoKα","","0.0598","0.0559","","","0.1519","0.155","","","","","","1.077","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4332740","10.799","0.0009","10.799","0.0009","12.511","0.002","90","","90","","90","","1459","0.3","294","2","294","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","","","- C10 H10 Cr Eu N2 O12 -","- C10 H10 Cr Eu N2 O12 -","- C40 H40 Cr4 Eu4 N8 O48 -","4","0.25","","Zhai, Bin; Yi, Long; Wang, Hong-Shen; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","First 3D 3d−4f Interpenetrating Structure: Synthesis, Reaction, and Characterization of {[LnCr(IDA)2(C2O4)]}n","Inorganic Chemistry","2006","45","21","8471","8473","10.1021/ic060787f","","","0.71073","MoKα","","0.0291","0.0211","","","0.0598","0.069","","","","","","1.048","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332741","10.8168","0.0007","10.8168","0.0007","12.5692","0.0017","90","","90","","90","","1470.6","0.2","294","2","294","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","","","- C10 H10 Cr N2 O12 Sm -","- C10 H10 Cr N2 O12 Sm -","- C40 H40 Cr4 N8 O48 Sm4 -","4","0.25","","Zhai, Bin; Yi, Long; Wang, Hong-Shen; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","First 3D 3d−4f Interpenetrating Structure: Synthesis, Reaction, and Characterization of {[LnCr(IDA)2(C2O4)]}n","Inorganic Chemistry","2006","45","21","8471","8473","10.1021/ic060787f","","","0.71073","MoKα","","0.0286","0.0213","","","0.0544","0.0609","","","","","","1.072","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4342744","10.9717","0.0002","10.9717","0.0002","9.5734","0.0002","90","","90","","90","","1152.43","0.04","100","2","100","2","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","SrUP2S8","","","- P2 S8 Sr U -","- P2 S8 Sr U -","- P8 S32 Sr4 U4 -","4","0.25","","Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.","Syntheses, Crystal Structures, Optical and Theoretical Studies of the Actinide Thiophosphates SrU(PS4)2, BaU(PS4)2, and SrTh(PS4)2.","Inorganic chemistry","2015","54","6","2970","2975","10.1021/acs.inorgchem.5b00071","","","0.71073","MoKα","","0.0178","0.0126","","","0.0279","0.0296","","","","","","1.281","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342745","11.1405","0.0004","11.1405","0.0004","9.6604","0.0005","90","","90","","90","","1198.96","0.09","100","2","100","2","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","BaUP2S8","","","- Ba P2 S8 U -","- Ba P2 S8 U -","- Ba4 P8 S32 U4 -","4","0.25","","Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.","Syntheses, Crystal Structures, Optical and Theoretical Studies of the Actinide Thiophosphates SrU(PS4)2, BaU(PS4)2, and SrTh(PS4)2.","Inorganic chemistry","2015","54","6","2970","2975","10.1021/acs.inorgchem.5b00071","","","1.54178","CuKα","","0.0262","0.0235","","","0.0607","0.0625","","","","","","1.058","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342746","11.0284","0.0012","11.0284","0.0012","9.6725","0.0009","90","","90","","90","","1176.4","0.2","100","2","100","2","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","SrThP2S8","","","- P2 S8 Sr Th -","- P2 S8 Sr Th -","- P8 S32 Sr4 Th4 -","4","0.25","","Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.","Syntheses, Crystal Structures, Optical and Theoretical Studies of the Actinide Thiophosphates SrU(PS4)2, BaU(PS4)2, and SrTh(PS4)2.","Inorganic chemistry","2015","54","6","2970","2975","10.1021/acs.inorgchem.5b00071","","","0.71073","MoKα","","0.013","0.0103","","","0.0258","0.0277","","","","","","1.472","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4343266","13.795","0.002","13.795","0.002","17.743","0.006","90","","90","","90","","3376.5","1.3","296","2","296","2","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","","","- C10 H2 Cd O8 -","- C10 H2 Cd O8 -","- C80 H16 Cd8 O64 -","8","0.5","","Su, Jian; Yao, Liudi; Zhao, Meng; Wang, Hui; Zhang, Qiong; Cheng, Longjiu; Zhang, Jun; Zhang, Shengyi; Wu, Jieying; Tian, Yupeng","Structural Induction Effect of a Zwitterion Pyridiniumolate for Metal-Organic Frameworks.","Inorganic chemistry","2015","54","13","6169","6175","10.1021/acs.inorgchem.5b00180","","","0.71073","MoKα","","0.0548","0.0425","","","0.1535","0.1634","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4347759","16.2","0.03","16.2","0.03","6.93","0.013","90","","90","","90","","1819","6","296","2","296.15","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","","","- C8 H10 Ge N2 -","- C8 H10 Ge N2 -","- C64 H80 Ge8 N16 -","8","0.5","","Aysin, R. R.; Leites, L. A.; Bukalov, S. S.; Zabula, A. V.; West, R.","Molecular Structures of N,N'-Dimethylbenzimidazoline-2-germylene and -stannylene in Solution and in Solid State by Means of Optical (Raman and UV-vis) Spectroscopy and Quantum Chemistry Methods.","Inorganic chemistry","2016","55","10","4698","4700","10.1021/acs.inorgchem.6b00572","","","0.71073","MoKα","","0.0339","0.0305","","","0.0763","0.0774","","","","","","1.235","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4507694","13.5382","0.0005","13.5382","0.0005","19.4008","0.0009","90","","90","","90","","3555.8","0.2","100","2","100","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","Thallium Uranyl(VI) Phosphate-Phosphite","","","- H2 O18 P4 Tl3 U2 -","- H2 O18 P4 Tl3 U2 -","- H16 O144 P32 Tl24 U16 -","8","0.5","","Villa, Eric M.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Syntheses, Structures, and Comparisons of Thallium Uranium Phosphites, Mixed Phosphate-Phosphites, and Phosphate","Crystal Growth & Design","2013","13","4","1721","","10.1021/cg400046a","","","0.71073","MoKα","","0.0385","0.0329","","","0.0757","0.0781","","","","","","1.098","","","","has coordinates","179612","2020-10-21","18:00:00",""
"7001475","26.8885","0.0012","26.8885","0.0012","6.7983","0.0003","90","","90","","90","","4915.1","0.4","173","2","173","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- C25 H29 N3 O2 Pt -","- C25 H29 N3 O2 Pt -","- C200 H232 N24 O16 Pt8 -","8","0.5","","Sarkar, Biprajit; Hübner, Ralph; Pattacini, Roberto; Hartenbach, Ingo","Combining two non-innocent ligands in isomeric complexes [Pt(pap)mQn]0 (pap = phenylazopyridine, Q = 3,5-di-tert-butyl-benzoquinone","Dalton Transactions","2009","","24","4653","4655","10.1039/b902645b","","","0.71073","MoKα","","0.093","0.052","","","0.0923","0.1041","","","","","","1.041","","","","has coordinates","179712","2020-10-21","18:00:00",""
"7008492","11.3393","0.0006","11.3393","0.0006","16.3909","0.0014","90","","90","","90","","2107.5","0.2","140","2","140","2","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","1,3,5-Trisilylbenzene","1,3,5-Trisilylbenzene","","- C6 H12 Si3 -","- C6 H12 Si3 -","- C48 H96 Si24 -","8","0.5","","Johnston, Blair F.; Mitzel, Norbert W.; Rankin, David W. H.; Robertson, Heather E.; Rüdinger, Christoph; Schmidbaur, Hubert","The experimental gas-phase structures of 1,3,5-trisilylbenzene and hexasilylbenzene and the theoretical structures of all benzenes with three or more silyl substituents.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2292","2299","10.1039/b503637b","","","0.71073","MoKα","","0.1151","0.056","","","0.1434","0.1743","","","","","","0.992","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7016045","15.71","0.002","15.71","0.002","7.0097","0.0014","90","","90","","90","","1730","0.5","190","2","190","2","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","","","- C18 H22 Fe Se2 -","- C18 H22 Fe Se2 -","- C72 H88 Fe4 Se8 -","4","0.25","","Eichhöfer, Andreas; Buth, Gernot; Dolci, Francesco; Fink, Karin; Mole, Richard A.; Wood, Paul T.","Homoleptic 1-D iron selenolate complexes-synthesis, structure, magnetic and thermal behaviour of [Fe(SeR)(2)] (R = Ph, Mes).","Dalton transactions (Cambridge, England : 2003)","2011","40","26","7022","7032","10.1039/c1dt10089k","","","0.71073","MoKα","","0.0345","0.032","","","0.0887","0.0906","","","","","","1.064","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7022760","17.2578","0.0002","17.2578","0.0002","20.4652","0.0003","90","","90","","90","","6095.18","0.13","173","2","173","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","7","","","- C35 H36 B Cl2 N -","- C35 H36 B Cl2 N -","- C280 H288 B8 Cl16 N8 -","8","0.5","","Sabourin, Kyle J.; Malcolm, Adam C.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Metal-free dehydrogenation of amine-boranes by an N-heterocyclic carbene.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4625","4632","10.1039/c3dt32988g","","","1.54178","CuKα","","0.0471","0.0457","","","0.1334","0.1351","","","","","","1.044","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7031598","11.9037","0.0017","11.9037","0.0017","16.046","0.003","90","","90","","90","","2273.7","0.6","293","2","293","2","","","","","","","","7","P 42/m b c","-P 4c 2ab","135","","","","- C2 H8 Br K0.63 Mn O10.38 Ru -","- C2 H8 Br K0.532 Mn O10.532 Ru -","- C16 H64 Br8 K4.256 Mn8 O84.256 Ru8 -","8","0.5","","Hou, Xiao-Feng; Jia, Yan-Yan; Yang, Jian-Hui; Cao, Zhi; Liu, Bin","Isomeric chain structures of {[Mn(H2O)4]2Ru2(CO3)4Br2}n(n-): syntheses, structural diversity and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13316","13324","10.1039/c4dt01522c","","","0.71073","MoKα","","0.0558","0.047","","","0.1084","0.1138","","","","","","1.069","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7042034","31.236","0.004","31.236","0.004","28.194","0.005","90","","90","","90","","27509","7","296","2","296","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","JLU-Liu39","","- C72 H112 Cu5 N14 O32 S3 -","- C38 H22 Cu5 N2 O23 S3 -","- C304 H176 Cu40 N16 O184 S24 -","8","0.5","","Yao, Shuo; Xu, Tong; Zhao, Nian; Zhang, Lirong; Huo, Qisheng; Liu, Yunling","An anionic metal-organic framework with ternary building units for rapid and selective adsorption of dyes.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3332","3337","10.1039/c7dt00192d","","","0.71073","MoKα","","0.1429","0.0612","","","0.1981","0.2953","","","","","","0.982","","","","has coordinates,has disorder","195051","2020-10-21","18:00:00",""
"7050589","10.863","0.0011","10.863","0.0011","9.1947","0.0014","90","","90","","90","","1085","0.2","301","2","301","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- C3 H4 N2 O3 S -","- C3 H4 N2 O3 S -","- C24 H32 N16 O24 S8 -","8","0.5","","Mezei, Gellert; Raptis, Raphael G.","Pyrazole-4-sulfonate networks of alkali and alkaline-earth metals. Effect of cation size, charge, H-bonding and aromatic interactions on the three-dimensional supramolecular architecture","New Journal of Chemistry","2003","27","9","1399","","10.1039/b303096b","","","0.71073","MoKα","","0.0253","0.0241","","","0.0679","0.0698","","","","","","1.076","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7106650","22.169","0.017","22.169","0.017","14.93","0.02","90","","90","","90","","7338","13","296","2","296","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","","","- C33 H39 Cl Fe N7 O4 -","- C33 H39 Cl Fe N7 O4 -","- C264 H312 Cl8 Fe8 N56 O32 -","8","0.5","","Chakadola Panda; Tamas Panda; Munmun Ghosh; Rahul Banerjee; Sayam Sen Gupta","Fe(III) complex of biuret-amide based macrocyclic ligand as peroxidase enzyme mimic","Chem.Commun.","2011","47","","8016","","10.1039/c1cc12686e","","","0.71073","MoKα","","0.1108","0.066","","","0.1985","0.2182","","","","","","1.019","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7107935","19.244","0.003","19.244","0.003","16.406","0.003","90","","90","","90","","6075.7","1.7","293","2","293","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- C46 H48 Co8 N6 O27 -","- C46 H46 Co8 N7.424 O27 -","- C184 H184 Co32 N29.696 O108 -","4","0.25","","Jiong-Peng Zhao; Qian Yang; Zhong-Yi Liu; Ran Zhao; Bo-Wen Hu; Miao Du; Ze Chang; Xian-He Bu","A unique substituted Co(II)-formate coordination framework exhibits weak ferromagnetic single-chain-magnet like behavior","Chem.Commun.","2012","48","","6568","","10.1039/c2cc31204b","","","0.71073","MoKα","","0.1054","0.0872","","","0.1693","0.1764","","","","","","1.352","","","","has coordinates,has disorder","180183","2020-10-21","18:00:00",""
"7108769","23.153","0.004","23.153","0.004","23.88","0.006","90","","90","","90","","12801","4","298","2","298","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","","","- C46.5 H42.5 Ag3 Cl4.5 N6 O24 -","- C46 H42 Ag3 Cl3 N6 O24 -","- C368 H336 Ag24 Cl24 N48 O192 -","8","0.5","","Qihui Chen; Feilong Jiang; Daqiang Yuan; Lian Chen; Guangxun Lyu; Maochun Hong","Anion-driven self-assembly: from discrete cages to infinite polycatenanes step by step","Chem.Commun.","2013","49","","719","","10.1039/c2cc36921d","","","0.71073","MoKα","","0.0936","0.0843","","","0.2361","0.2456","","","","","","1.09","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110792","17.1243","0.0002","17.1243","0.0002","7.3816","0.0001","90","","90","","90","","2164.59","0.05","123","2","123","2","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","cobalt bis(dicyanamide) 2-amino-pyrimidine","","- C8 H5 Co N9 -","- C8 H5 Co N9 -","- C64 H40 Co8 N72 -","8","0.5","","Jensen, Paul; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.","Infinite molecular tubes: structure and magnetism of M(dca)2(apym) [M = Co, Ni, apym = 2-aminopyrimidine, dca = dicyanamide, N(CN)2−]","Chemical Communications","2000","","9","793","","10.1039/a909067c","","","0.71073","MoKα","","0.0401","0.0279","","","0.0579","0.0626","","","","","","1.099","","","","has coordinates","180221","2020-10-21","18:00:00",""
"7110793","17.2018","0.0004","17.2018","0.0004","7.3742","0.0002","90","","90","","90","","2182.04","0.09","295","2","295","2","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","cobalt bis(dicyanamide) 2-amino-pyrimidine","","- C8 H5 Co N9 -","- C8 H5 Co N9 -","- C64 H40 Co8 N72 -","8","0.5","","Jensen, Paul; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.","Infinite molecular tubes: structure and magnetism of M(dca)2(apym) [M = Co, Ni, apym = 2-aminopyrimidine, dca = dicyanamide, N(CN)2−]","Chemical Communications","2000","","9","793","","10.1039/a909067c","","","0.71073","MoKα","","0.1142","0.0706","","","0.0781","0.0847","","","","","","1.198","","","","has coordinates","180221","2020-10-21","18:00:00",""
"7110794","17.0863","0.0006","17.0863","0.0006","7.3099","0.0002","90","","90","","90","","2134.06","0.12","297","2","297","2","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","nickel bis(dicyanamide) 2-amino-pyrimidine","","- C8 H5 N9 Ni -","- C8 H5 N9 Ni -","- C64 H40 N72 Ni8 -","8","0.5","","Jensen, Paul; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.","Infinite molecular tubes: structure and magnetism of M(dca)2(apym) [M = Co, Ni, apym = 2-aminopyrimidine, dca = dicyanamide, N(CN)2−]","Chemical Communications","2000","","9","793","","10.1039/a909067c","","","0.71073","MoKα","","0.1013","0.053","","","0.0867","0.101","","","","","","1.092","","","","has coordinates","180221","2020-10-21","18:00:00",""
"7118023","15.6635","0.0006","15.6635","0.0006","8.9408","0.0005","90","","90","","90","","2193.58","0.17","100","2","100","2","","","","","","","Acetonitrile","4","P 42/m b c","-P 4c 2ab","135","[BMPyr][HS] (5)","N-butyl-N-methylpyrrolidinium hydrosulfide","","- C9 H21 N S -","- C9 H21 N S -","- C72 H168 N8 S8 -","8","0.5","","L. H. Finger; F. Wohde; E. I. Grigoryev; A.-K. Hansmann; R. Berger; B. Roling; J. Sundermeyer","Access to pure and highly volatile hydrochalcogenide ionic liquids","Chem.Commun.","2015","51","","16169","","10.1039/C5cc06224A","","","0.71073","MoKα","","0.0785","0.0601","","","0.1535","0.168","","","","","","1.056","","","","has coordinates","169963","2020-10-21","18:00:00",""
"7123894","20.6285","0.0004","20.6285","0.0004","14.8136","0.0005","90","","90","","90","","6303.7","0.3","123","2","123","2","","","","","","","","7","P 42/m b c","-P 4c 2ab","135","","","","- C63.75 H116.5 Al2 Li2 N2 O2 Sc -","- C55 H99 Al2 Li2 N2 O2 Sc -","- C220 H396 Al8 Li8 N8 O8 Sc4 -","4","0.25","","Martinez-Martinez, Antonio J.; Kennedy, Alan; Paprocki, Valerie; Fantuzzi, Felipe; Dewhurst, Rian David; O'Hara, Charles T.; Braunschweig, Holger; Mulvey, Robert E.","Selective Mono- and Dimetallation of a Group 3 Sandwich Complex","Chemical Communications","2019","","","","","10.1039/C9CC03825F","","","1.54184","CuKα","","0.1164","0.09","","","0.2685","0.2919","","","","","","1.044","","","","has coordinates,has disorder","217179","2020-10-21","18:00:00",""
"7124640","25.569","0.007","25.569","0.007","16.707","0.006","90","","90","","90","","10923","6","113","2","113","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- C44 H42 Co4 N4 O14 -","- C44 H42 Co4 N4 O14 -","- C352 H336 Co32 N32 O112 -","8","0.5","","Su, Lei; Song, Wei-Chao; Zhao, Jiong-Peng; Liu, Fu-Chen","Crystal engineering to control the magnetic interaction between weak ferromagnetic single-chain magnets assembled in a 3D framework.","Chemical communications (Cambridge, England)","2016","52","56","8722","8725","10.1039/c6cc02702d","","","0.71073","MoKα","","0.0558","0.0482","","","0.1415","0.148","","","","","","1.04","","","","has coordinates,has disorder","234045","2020-10-21","18:00:00",""
"7207985","13.4523","0.001","13.4523","0.001","14.525","0.0014","90","","90","","90","","2628.5","0.4","293","2","293","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- C16 H12 N16 O6 Pb4 -","- C16 H12 N16 O6 Pb4 -","- C64 H48 N64 O24 Pb16 -","4","0.25","","Sun, Jiayin; Zhang, Daojun; Wang, Li; Cao, Yu; Li, Da; Zhang, Liying; Song, Wei; Fan, Yong; Xu, Jianing","Two novel lead(ii)-tetrazolate frameworks based on cubane [Pb4(OH)4]4+ clusters trapping long lifetime luminescence emission","CrystEngComm","2012","14","11","3982","","10.1039/c2ce25078k","","","0.71073","MoKα","","0.0927","0.0471","","","0.1109","0.1338","","","","","","1.072","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7219509","8.3453","0.0001","8.3453","0.0001","5.6201","0.0001","90","","90","","90","","391.406","0.01","293","2","293","2","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","","","- As2 Co O4 -","- As2 Co O4 -","- As8 Co4 O16 -","4","0.25","","Đorđević, Tamara; Wittwer, Astrid; Jaglicic, Zvonko; Djerdj, Igor","Hydrothermal synthesis of single crystal CoAs2O4 and NiAs2O4 compounds and their magnetic properties","RSC Adv.","2015","","","","","10.1039/C4RA16122J","","","0.71073","MoKα","","0.0306","0.0229","","","0.044","0.0455","","","","","","1.079","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219510","8.2277","0.0012","8.2277","0.0012","5.612","0.0011","90","","90","","90","","379.9","0.11","293","2","293","2","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","","","- As2 Ni O4 -","- As2 Ni O4 -","- As8 Ni4 O16 -","4","0.25","","Đorđević, Tamara; Wittwer, Astrid; Jaglicic, Zvonko; Djerdj, Igor","Hydrothermal synthesis of single crystal CoAs2O4 and NiAs2O4 compounds and their magnetic properties","RSC Adv.","2015","","","","","10.1039/C4RA16122J","","","0.71073","MoKα","","0.0202","0.0161","","","0.0363","0.0371","","","","","","1.09","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7221061","10.8092","0.0015","10.8092","0.0015","12.501","0.003","90","","90","","90","","1460.6","0.5","293","2","293","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","","","- C10 H10 Cr Gd N2 O12 -","- C10 H10 Cr Gd N2 O12 -","- C40 H40 Cr4 Gd4 N8 O48 -","4","0.25","","Liu, Sui-Jun; Xie, Xin-Rong; Zheng, Teng-Fei; Bao, Jun; Liao, Jin-Sheng; Chen, Jing-Lin; Wen, He-Rui","Three-dimensional two-fold interpenetrated CrIII‒GdIIIheterometallic framework as an attractive cryogenic magnetorefrigerant","CrystEngComm","2015","17","38","7270","","10.1039/C5CE00997A","","","0.71073","MoKα","","0.0537","0.0487","","","0.0884","0.0906","","","","","","1.167","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222993","11.23","","11.23","","6.819","","90","","90","","90","","859.964","","","","","","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","Pd (S.49 Se.51)","","- Pd S0.49 Se0.51 -","- Pd S0.488867 Se0.511133 -","- Pd24 S11.7328 Se12.2672 -","24","1.5","","Kliche, G.; Koehler, J.; Bauhofer, W.","Roentgenographische, elektrische und spektroskopische Untersuchungen an den Palladiumchalkogeniden PdS1-xSex","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1992","47","","383","388","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7230604","14.3715","0.0011","14.3715","0.0011","19.721","0.002","90","","90","","90","","4073.2","0.6","296","2","296","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- C10 H6 N20 O2 Zn3 -","- C10 H6 N20 O2 Zn3 -","- C80 H48 N160 O16 Zn24 -","8","0.5","","Liu, Chuanfang; Zhao, Nian; Zou, Xiaoqin; Zhu, Guangshan","Synthesis of an ultra-stable metal‒organic framework for proton conduction","CrystEngComm","2018","20","23","3158","","10.1039/C8CE00564H","","","0.71073","MoKα","","0.0465","0.0307","","","0.0772","0.0862","","","","","","0.908","","","","has coordinates","229108","2020-10-21","18:00:00",""
"7234194","12.68202","0.00001","12.68202","","7.97617","0.00001","90","","90","","90","","1282.84","0.0019","423","","423","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","KMnCrF6","","- Cr2.5 F15 K2.59 Mn2.5 -","- Cr2.5 F15 K2.587 Mn2.5 -","- Cr10 F60 K10.348 Mn10 -","4","0.25","","Christina Drathen; Takeshi Nakagawa; Wilson A. Crichton; Adrian H. Hill; Yasuo Ohishi; Serena Margadonnac","Structural transition in KMnCrF6 - a chemically ordered magnetic ferroelectric","Journal of Materials Chemistry C","2015","3","","4321","4332","10.1039/C4TC02038C","powder diffraction","","0.39992","synchrotron","","","","","","","","8.26","","1.45","","","","","","","has coordinates","218873","2020-10-21","18:00:00",""
"7239513","23.616","0.003","23.616","0.003","6.9313","0.0015","90","","90","","90","","3865.7","1.1","296","2","296","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","","","- C19 H18 Cl Hg N O3 -","- C19 H4 Cl Hg N O3 -","- C152 H32 Cl8 Hg8 N8 O24 -","8","0.5","","Gong, Wei-tao; Gao, Bei; Zhao, Jian-zhang; Ning, Gui-ling","Rational design of a reusable chemodosimeter for the selective detection of Hg2+","Journal of Materials Chemistry A","2013","1","18","5501","","10.1039/c3ta10412e","","","0.71073","MoKα","","0.0825","0.0436","","","0.1004","0.1107","","","","","","1.123","","","","has coordinates","244739","2020-10-21","18:00:00",""
"7240282","25.7697","0.0006","25.7697","0.0006","9.3962","0.0002","90","","90","","90","","6239.8","0.2","301","2","301.14","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","Rb11[(UO2)8(PO4)9]","","- O52 P9 Rb11.02 U8 -","- O52 P9 Rb10.9988 U8 -","- O208 P36 Rb43.9952 U32 -","4","0.25","","Juillerat, Christian A.; Klepov, Vladislav; Smith, Mark D.; Zur Loye, Hans-Conrad","Targeted Crystal Growth of Uranium Gallophosphates Via the Systematic Exploration of the UF4-GaPO4-ACl (A = Cs, Rb) Phase Space","CrystEngComm","2020","","","","","10.1039/D0CE00343C","","","0.71073","MoKα","","0.0366","0.035","","","0.0903","0.091","","","","","","1.326","","","","has coordinates","250477","2020-10-21","18:00:00",""
"7243488","13.5174","0.0003","13.5174","0.0003","14.9399","0.0003","90","","90","","90","","2729.82","0.1","293","","293","","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- B7 Ba12 F4 Li O21 -","- B7 Ba12 F4 Li O21 -","- B28 Ba48 F16 Li4 O84 -","4","0.25","","Bekker, T. B.; Yelisseyev, A. P.; Solntsev, V. P.; Davydov, A. V.; Inerbaev, T. M.; Rashchenko, S. V.; Kostyukov, A. I.","The influence of co-doping on the luminescence and thermoluminescence properties of Cu-containing fluoride borate crystals","CrystEngComm","2021","23","37","6599","6609","10.1039/D1CE00556A","","x-ray","0.71073","MoKα","","0.0393","0.0285","","","0.0614","0.0644","","","","1.7897","1.7897","1.6973","","","","has coordinates","269673","2021-10-06","14:49:48",""
"7701614","8.2634","0.0002","8.2634","0.0002","20.2666","0.0011","90","","90","","90","","1383.88","0.09","293","2","293","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","","","- C5 H K0.63 Mn N2.37 O4 -","- C5 H K0.633 Mn N2.367 O4 -","- C40 H8 K5.064 Mn8 N18.936 O32 -","8","0.5","","Zhao, Ming-Yu; Zhu, Jian-Nan; Li, Peng; Li, Wei; Cai, Ting; Cheng, Fang-Fang; Xiong, Wei-Wei","Structural variation of transition metal-organic frameworks using deep eutectic solvents with different hydrogen bond donors.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10199","10209","10.1039/c9dt01050e","","","0.71073","MoKα","","0.0586","0.0372","","","0.0734","0.0829","","","","","","1.062","","","","has coordinates,has disorder","223319","2020-10-21","18:00:00",""
"7709049","20.2125","0.0007","20.2125","0.0007","22.9119","0.0009","90","","90","","90","","9360.5","0.6","193","2","192.99","","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- C28 H22 In N3 O8 -","- C28 H22 In N3 O8 -","- C224 H176 In8 N24 O64 -","8","0.5","","Zhang, Chengcheng; Qin, Yuanyuan; Duan, Lijuan; Wang, Lu; Wu, Yuewei; Guo, Yan; Song, Weiming; Liu, Xiangyu","pH-dependent formation of three porous In(III)-MOFs: framework diversity and selective gas adsorption","Dalton Transactions","2022","","","","","10.1039/D1DT02935E","","","1.34139","GaKα","","0.0641","0.0603","","","0.1772","0.1812","","","","","","1.054","","","","has coordinates,has disorder","271282","2021-12-09","00:05:28",""
"7713169","13.536","0.0002","13.536","0.0002","14.9439","0.0002","90","","90","","90","","2738.07","0.07","293","","293","","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- B7 Ba11.72563 F4 Li O21 -","- B7 Ba11.726 F4 Li O21 -","- B28 Ba46.904 F16 Li4 O84 -","4","0.25","","Bekker, T. B.; Ryadun, Alexey A.; Rashchenko, Sergey V.; Davydov, Aleksey V.","LiBa12(BO3)7F4 (LBBF) crystals doped with Eu3+, Tb3+, Ce3+: structure and luminescence properties","Dalton Transactions","2023","","","","","10.1039/D3DT01279D","","x-ray","0.71073","MoKα","","0.0495","0.0204","","","0.048","0.069","","","","0.5753","0.5753","0.649","","","","has coordinates","284044","2023-05-27","22:48:52",""
"8100283","13.032","0.001","13.032","0.001","21.119","0.001","90","","90","","90","","3586.6","0.4","180","2","180","2","","","","","","","","7","P 42/m b c","-P 4c 2ab","135","","","","- C16 H36 B Br6 I3 N4 O4 -","- C16 H36 B Br6 I3 N4 O4 -","- C64 H144 B4 Br24 I12 N16 O16 -","4","0.25","","Bekaert, A.; Barberan, O.; Kaloun, E. B.; Rabhi, C.; Danan, A.; Brion, J. D.; Lemoine, P.; Viossat, B.","Crystal structure of tetrakis(N,N-dimethylacetamide-O)borane tris (dibromoiodide), {B[CH~3~CON(CH~3~)~2~)]~4~}(Br~2~I)~3~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","1","123","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","301880","2025-08-22","23:45:43",""
"8101145","11.5646","0.0006","11.5646","0.0006","6.9978","0.0006","90","","90","","90","","935.89","0.11","153","2","153","2","","","","","","","","2","P 42/m b c","-P 4c 2ab","135","","","","- Pd Se -","- Pd Se -","- Pd24 Se24 -","24","1.5","","Ijjaali, Ismail; Ibers, James A.","Crystal structure of palladium selenide, PdSe","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","485","486","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"9000738","8.372","","8.372","","17.974","","90","","90","","90","","1259.81","","","","","","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","","Apuanite","- As0.4 Fe4.56 O12 S0.84 Sb3.84 Zn0.2 -","- As0.4 Fe4.56 O12 S0.84 Sb3.84 Zn0.2 -","- As1.6 Fe18.24 O48 S3.36 Sb15.36 Zn0.8 -","4","0.25","","Mellini, M.; Merlino, S.","Versliaite and apuanite: Derivative structures related to schafarzikite","American Mineralogist","1979","64","","1235","1242","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:42",""
"9008417","8.3218","","8.3218","","5.0541","","90","","90","","90","","350.008","","","","139","","","","","","","","Synthetic","2","P 42/m b c","-P 4c 2ab","135","","","Downeyite","- O2 Se -","- O2 Se -","- O16 Se8 -","8","0.5","","Stahl, K.; Legros, J. P.; Galy, J.","The crystal structure of SeO2 at 139 and 286 K Note: T = 139 K","Zeitschrift fur Kristallographie","1992","202","","99","107","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008418","8.3622","","8.3622","","5.0612","","90","","90","","90","","353.911","","","","286","","","","","","","","Synthetic","2","P 42/m b c","-P 4c 2ab","135","","","Downeyite","- O2 Se -","- O2 Se -","- O16 Se8 -","8","0.5","","Stahl, K.; Legros, J. P.; Galy, J.","The crystal structure of SeO2 at 139 and 286 K Note: T = 286 K","Zeitschrift fur Kristallographie","1992","202","","99","107","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9009564","8.59","","8.59","","5.92","","90","","90","","90","","436.826","","","","","","","","","","","","Pernek, Slovakia - 30 km north of Bratislava","3","P 42/m b c","-P 4c 2ab","135","","","Schafarzikite","- Fe O4 Sb2 -","- Fe O4 Sb2 -","- Fe4 O16 Sb8 -","4","0.25","","Zemann, J.","Formel und kristallstruktur des schafarzikits","Tschermaks Mineralogische und Petrographische Mitteilungen","1951","2","","166","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009565","8.59","","8.59","","5.56","","90","","90","","90","","410.262","","","","","","","","","","","","Copiapo, Chile","3","P 42/m b c","-P 4c 2ab","135","","","Trippkeite","- As2 Cu O4 -","- As2 Cu O4 -","- As8 Cu4 O16 -","4","0.25","","Zemann, J.","Formel und kristallstruktur des trippkeits Note: coordinates of Cu and As corrected per Pertlik, 1975","Tschermaks Mineralogische und Petrographische Mitteilungen","1951","2","","417","423","10.1007/BF01135291","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009582","8.592","","8.592","","5.573","","90","","90","","90","","411.413","","","","","","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","","Trippkeite","- As2 Cu O4 -","- As2 Cu O4 -","- As8 Cu4 O16 -","4","0.25","","Pertlik, F.","Verfeinerung der kristallstruktur von synthetischem trippkeit, CuAs2O4","Tschermaks Mineralogische und Petrographische Mitteilungen","1975","22","","211","217","10.1007/BF01087840","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009583","8.59","","8.59","","5.913","","90","","90","","90","","436.309","","","","","","","","","","","","Pernek, Slowakei, CSSR","3","P 42/m b c","-P 4c 2ab","135","","","Schafarzikite","- Fe O4 Sb2 -","- Fe O4 Sb2 -","- Fe4 O16 Sb8 -","4","0.25","","Fischer, R.; Pertlik, F.","Verfeinerung der kristallstruktur des schafarzikites, FeSb2O4","Tschermaks Mineralogische und Petrographische Mitteilungen","1975","22","","236","241","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9012124","8.811","","8.811","","6.563","","90","","90","","90","","509.51","","","","293","","","","","","","","Synthetic","2","P 42/m b c","-P 4c 2ab","135","","","Minium","- O4 Pb3 -","- O4 Pb3 -","- O16 Pb12 -","4","0.25","","Gavarri, J. R.; Weigel, D.","Oxydes de plomb. I. structure cristalline du minium Pb3O4, a temperature ambiante (293 K) Sample: T = 293 K","Journal of Solid State Chemistry","1975","13","","252","257","10.1016/0022-4596(75)90127-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9014369","10.6772","","10.6772","","11.885","","90","","90","","90","","1354.92","","","","","","","","","","","","Synthetic","4","P 42/m b c","-P 4c 2ab","135","","","Sitinakite","- Na11 O14 Si4 Ti4 -","- Na11 O14 Si4 Ti4 -","- Na44 O56 Si16 Ti16 -","4","0.25","","Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V.","Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 573 K dehydrated sample","Chemistry of Materials","2010","22","","4222","4231","10.1021/cm100727h","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9015344","8.5758","","8.5758","","5.8983","","90","","90","","90","","433.787","","","","","","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","","Schafarzikite","- Fe O4 Sb2 -","- Fe O4 Sb2 -","- Fe4 O16 Sb8 -","4","0.25","","Hinrichsen, B.; Dinnebier, R. E.; Rajiv, P.; Hanfland, M.; Grzechnik, A.; Jansen, M.","Advances in data reduction of high-pressure X-ray powder diffraction data from two-dimensional detectors: a case study of schafarzikite (FeSb2O4) Note: P = 0.5 GPa","Journal of Physics: Condensed Matter","2006","18","","S1021","S1037","10.1088/0953-8984/18/25/S09","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""