# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-26T23:32:34+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P c m n' 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
"1001036","4.649","","7.739","","13.596","","90","","90","","90","","489.2","","","","","","","","","","","","","4","P c m n","-P 2n 2ac","62","","Barium silicon germanium oxide (1/1.5/0.5/5)","","- Ba Ge0.5 O5 Si1.5 -","- Ba Ge0.5 O5 Si1.5 -","- Ba4 Ge2 O20 Si6 -","4","0.5","","Goreaud, M; Choisnet, J; Raveau, B; Deschanvres, A","Sur les silicogermanates Ba(Si~2-x~ Ge~x~) O~5~ isotypes de la sanbornite","Revue de Chimie Minerale","1974","11","","207","216","","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001331","13.061","0.001","12.319","0.001","5.296","0.0005","90","","90","","90","","852.1","","","","","","","","","","","","","4","P c m n","-P 2n 2ac","62","","Caesium tungsten diphosphate oxide (1/8/4/12)","","- Cs O40 P8 W8 -","- Cs O40 P8 W8 -","- Cs O40 P8 W8 -","1","0.125","","Goreaud, M; Labbe, P; Raveau, B","Cs P~8~ W~8~ O~40~: A diphosphate tungsten bronze with octagonal tunnels","Journal of Solid State Chemistry","1985","56","","41","48","10.1016/0022-4596(85)90250-6","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001772","4.634","","7.69","","13.512","","90","","90","","90","","481.5","","","","","","","","","","","","synthetic","3","P c m n","-P 2n 2ac","62","","Barium phyllo-disilicate","Sanbornite","- Ba O5 Si2 -","- Ba O5 Si2 -","- Ba4 O20 Si8 -","4","0.5","","Goreaud, M; Choisnet, J; Raveau, B; Deschanvres, A","Sur les silicogermanates Ba (Si2-x Gex) O5 isotypes de la sanbornite","Revue de Chimie Minerale","1974","11","","207","216","","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008124","5.58","","14.5","","5.34","","90","","90","","90","","432.1","","","","","","","","","","","","","4","P c m n","-P 2n 2ac","62","","Diiron(III) dialuminium tetracalcium oxide","","- Al2 Ca4 Fe2 O10 -","- Al2 Ca4 Fe2 O10 -","- Al4 Ca8 Fe4 O20 -","2","0.25","","Bertaut, E F; Blum, P; Sagnieres, A","Structure du Ferrite Bicalcique et de la Brownmillerite","Acta Crystallographica (1,1948-23,1967)","1959","12","","149","159","10.1107/S0365110X59000433","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008777","5.64","","14.68","","5.39","","90","","90","","90","","446.3","","","","","","","","","","","","synthetic","3","P c m n","-P 2n 2ac","62","","Iron(III) oxide bis(calcium oxide)","Srebrodolskite","- Ca2 Fe2 O5 -","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","4","0.5","","Bertaut, F; Blum, P; Sagnieres, A","La structure du ferrite dicalcique et de la Brownmillerite.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","244","","2944","2946","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008778","5.64","","14.68","","5.39","","90","","90","","90","","446.3","","","","","","","","","","","","synthetic","3","P c m n","-P 2n 2ac","62","","Diiron(III) dicalcium oxide","Srebrodolskite","- Ca2 Fe2 O5 -","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","4","0.5","","Bertaut, F; Blum, P; Sagnieres, A","La structure du ferrite dicalcique et de la brownmillerite, aussi bien que 'Errata'.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1958","246","","658","658","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009033","5.64","","14.68","","5.39","","90","","90","","90","","446.3","","","","","","","","","","","","synthetic","3","P c m n","-P 2n 2ac","62","","Diiron(III) dicalcium oxide","Srebrodolskite","- Ca2 Fe2 O5 -","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","4","0.5","","Bertaut, E F; Blum, P; Sagnieres, A","Structure du ferrite bicalcique et de la brownmillerite","Acta Crystallographica (1,1948-23,1967)","1959","12","","149","159","10.1107/S0365110X59000433","","","","","","0.147","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1520830","5.5946","","14.8273","","5.4307","","90","","90","","90","","450.492","","","","","","","","","","","","","3","P c m n","-P 2n 2ac","62","","","","- Ca2 Fe2 O5 -","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","4","0.5","","Berastegui, P.; Hull, S.; Eriksson, S.G.","A neutron diffraction study of the temperature dependence of Ca2 Fe2 O5","Materials Research Bulletin","1999","34","","303","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521319","9.4444","","5.4493","","8.8085","","90","","90","","90","","453.333","","","","","","","","","","","","","4","P c m n","-P 2n 2ac","62","","Li Cs (S O4)","","- Cs Li O4 S -","- Cs Li O4 S -","- Cs4 Li4 O16 S4 -","4","0.5","","Mestres, L.; Simkin, V.G.; Baccali, A.; Martinez-Sarrion, M.L.; Smirnov, L.S.; Balagurov, A.M.","X-ray and neutron powder diffraction studies of phase transitions in Li Cs S O4","Kristallografiya","1999","44","","83","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527610","5.845","","3.334","","6.396","","90","","90","","90","","124.64","","","","","","","","","","","","","2","P c m n","-P 2n 2ac","62","","Nb0.92 S","","- Nb0.9 S -","- Nb0.9 S -","- Nb3.6 S4 -","4","0.5","","Kadijk, F.; Jellinek, F.","The system niobium-sulfur","Journal of the Less-Common Metals","1969","19","","421","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528768","4.38","","3.82","","10.79","","90","","90","","90","","180.534","","","","","","","","","","","","","2","P c m n","-P 2n 2ac","62","","","","- Ge Se -","- Ge Se -","- Ge4 Se4 -","4","0.5","","Okazaki, A.","The crystal structure of germanium selenide = Ge Se","Journal of the Physical Society of Japan","1958","13","","1151","1155","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529927","8.594","","8.598","","18.126","","90","","90","","90","","1339.35","","","","","","","","","","","","","6","P c m n","-P 2n 2ac","62","","(Co (N H3)6) (Cr O4) Cl (H2 O)3","","- Cl Co Cr H24 N6 O7 -","- Cl Co Cr H24 N6 O7 -","- Cl4 Co4 Cr4 H96 N24 O28 -","4","0.5","","Figgis, B.N.; Skelton, B.W.; White, A.H.","Crystal structure of Hexaamminecobalt(III) Chloride chromate trihydrate","Australian Journal of Chemistry","1979","32","","417","419","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529982","9.3","","5.29","","6.42","","90","","90","","90","","315.845","","","","","","","","","","","","","2","P c m n","-P 2n 2ac","62","","K I (H2 O)2","","- I K -","- I K -","- I4 K4 -","4","0.5","","Gerken, V.A.; Pakhomov, V.I.","Roentgenographical study of crystals in system K I-Hg I2-H2 O","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1969","10","4","753","754","10.1007/bf00743656","","","","","","","","","","","","","","","","","","","","","has coordinates","301799","2025-08-19","07:13:01",""
"1530212","9.456","","5.456","","8.82","","90","","90","","90","","455.041","","","","","","","","","","","","","4","P c m n","-P 2n 2ac","62","","Cs Li (S O4)","","- Cs Li O4 S -","- Cs Li O4 S -","- Cs4 Li4 O16 S4 -","4","0.5","","Kruglik, A.I.; Simonov, M.A.; Zhelezin, E.P.; Belov, N.V.","Crystal structures of phases I and III of cesium lithium sulfate","Doklady Akademii Nauk SSSR","1979","247","","1384","1387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532747","5.58305","","8.00703","","5.75904","","90","","90","","90","","257.45","","","","","","","","","","","","","3","P c m n","-P 2n 2ac","62","","Ca (Zr O3)","","- Ca O3 Zr -","- Ca O3 Zr -","- Ca4 O12 Zr4 -","4","0.5","","Levin, I.; Amos, T.G.; Toby, B.H.; Roth, R.S.; Vanderah, T.A.; Bell, S.M.; Farber, L.","Phase equilibria, crystal structures and dielectric anomaly in the (Ba Zr O3) - (Ca Zr O3) system","Journal of Solid State Chemistry","2003","175","","170","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533418","6.71","","11.006","","12.753","","90","","90","","90","","941.812","","","","","","","","","","","","","4","P c m n","-P 2n 2ac","62","","Tl Br3 (H2 O)4","","- Br3 H8 O4 Tl -","- Br3 O4 Tl -","- Br12 O16 Tl4 -","4","0.5","","Glaser, J.","Crystal and Molecular Structure of Thallium(III) Bromide Tetrahydrate and Thallium(III) Chloride Tetrahydrate, a Redetermination","Acta Chemica Scandinavica, Series A: (28,1974-)","1979","33","","789","794","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533421","6.503","","10.673","","12.308","","90","","90","","90","","854.255","","","","","","","","","","","","","4","P c m n","-P 2n 2ac","62","","Tl Cl3 (H2 O)4","","- Cl3 H8 O4 Tl -","- Cl3 O4 Tl -","- Cl12 O16 Tl4 -","4","0.5","","Glaser, J.","Crystal and Molecular Structure of Thallium(III) Bromide Tetrahydrate and Thallium(III) Chloride Tetrahydrate, a Redetermination","Acta Chemica Scandinavica, Series A: (28,1974-)","1979","33","","789","794","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534956","10.143","","14.819","","10.154","","90","","90","","90","","1526.24","","","","","","","","","","","","","4","P c m n","-P 2n 2ac","62","","Li Na5 (P O4)2","","- Li Na5 O8 P2 -","- Li Na5 O8 P2 -","- Li8 Na40 O64 P16 -","8","1","","Malinovskii, Yu.A.; Genkina, E.A.","Crystal structure of olympite Li Na5 (P O4)2.","Kristallografiya","1992","37","","1429","1436","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535061","6.3719","","9.8524","","14.358","","90","","90","","90","","901.374","","","","","","","","","","","","","5","P c m n","-P 2n 2ac","62","","Cu3 Bi (Te O3)2 O2 Cl","","- Bi Cl Cu3 O8 Te2 -","- Bi Cl Cu3 O8 Te2 -","- Bi4 Cl4 Cu12 O32 Te8 -","4","0.5","","Becker, R.; Mats, J.","Crystal structure of Cu3 Bi (Te O3)2 O2 Cl: a Kagome lattice type compound","Solid State Sciences","2005","7","","375","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538805","6.31","","3.86","","6.12","","90","","90","","90","","149.062","","","","","","","","","","","","","2","P c m n","-P 2n 2ac","62","","","","- Pd Sn -","- Pd Sn -","- Pd4 Sn4 -","4","0.5","","Nowotny, H.; Schubert, K.; Dettinger, U.","Zur Kenntnis des Aufbaus und der Kristallchemie einiger Edel- metallsysteme (Pd-Pb, Pd-Sn, Ir-Sn, Rh-Sn, Pt-Pb)","Zeitschrift fuer Metallkunde","1946","37","","137","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2002208","5.603","","14.691","","5.386","","90","","90","","90","","443.3","","","","","","","","","","","","","4","P c m n","-P 2n 2ac","62","","Dicalcium iron(III) gallium oxide","","- Ca2 Fe Ga O5 -","- Ca2 Fe Ga O5 -","- Ca8 Fe4 Ga4 O20 -","4","0.5","","Arpe, R; Schenck, R von; Mueller-Buschbaum, Hk","Zur Kenntnis von Ca2 Fe Ga O5, ein Beitrag zur Kristallchemie von (M2+)2 (Me3+)2 O5 -Verbindungen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1974","410","","97","103","10.1002/zaac.19744100202","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002209","6.264","","17.258","","6.05","","90","","90","","90","","654","","","","","","","","","","","","","3","P c m n","-P 2n 2ac","62","","Dibarium dithallium(III) oxide","","- Ba2 O5 Tl2 -","- Ba2 O5 Tl2 -","- Ba8 O20 Tl8 -","4","0.5","","Schenck, R von; Mueller-Buschbaum, Hk","Darstellung und Kristallstruktur von Ba2 Tl2 O5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1974","405","","197","201","10.1002/zaac.19744050210","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002228","5.597","","14.654","","5.383","","90","","90","","90","","441.5","","","","","","","","","","","","","4","P c m n","-P 2n 2ac","62","","Calcium iron gallium oxide (2/.5/1.5/5)","","- Ca2 Fe0.5 Ga1.5 O5 -","- Ca2 Fe0.5 Ga1.5 O5 -","- Ca8 Fe2 Ga6 O20 -","4","0.5","","Arpe, R; Schenck, R von; Mueller-Buschbaum, Hk","Zur Kenntnis von Ca2 Fe Ga O5, ein Beitrag zur Kristallchemie von (M2+)2 (Me3+)2 O5 -Verbindungen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1974","410","","97","103","10.1002/zaac.19744100202","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013632","4.8147","0.0013","8.267","0.002","12.814","0.003","90","","90","","90","","510","0.2","293","2","","","","","","","","","","4","P c m n","-P 2n 2ac","62","","","","- H O5 Rb Si2 -","- O5 Rb Si2 -","- O20 Rb4 Si8 -","4","0.5","IZ1030","Bull, Ivor; Parise, John B.","Cs[Si~3~O~6~(OH)] and Rb[Si~2~O~4~(OH)]: two novel phyllosilicates","Acta Crystallographica Section C","2003","59","10","i100","i102","10.1107/S0108270103014586","","","0.71073","MoKα","","","0.0274","","","","0.0795","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2101880","6.9744","0.0003","6.8094","0.0006","20.038","0.007","90","","90","","90","","951.6","0.3","","","","","","","","","","","","3","P c m n","-P 2n 2ac","62","","","","- C10 H14 O -","- C10 O -","- C40 O4 -","4","0.5","NA0078","Sañé, J.; Ruis, J.; Calvet, T.; Cuevas-Diarte, M. A.","Chiral Molecular Alloys: Patterson-Search Structure Determination of <small>L</small>-Carvone and <small>DL</small>-Carvone from X-ray Powder Diffraction Data at 218 K","Acta Crystallographica Section B","1997","53","4","702","707","10.1107/S0108768197002905","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","206176","2020-10-21","18:00:00",""
"2106286","5.559","","14.771","","5.429","","90","","90","","90","","445.786","","","","","","","","","","","","","3","P c m n","-P 2n 2ac","62","","","","- Ca2 Fe2 O5 -","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","4","0.5","","Colville, A.A.","The crystal structure of Ca2 Fe2 O5 and its relation to the nuclear electric field gradient at the iron sites","Acta Crystallographica B (24,1968-38,1982)","1970","26","","1469","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2214188","6.6298","0.0007","14.6001","0.0018","18.984","0.003","90","","90","","90","","1837.6","0.4","295","2","","","","","","","","","","3","P c m n","-P 2n 2ac","62","","cis-2,2-Dimethyl-1,3-diphenyl-2,3-dihydro-1<i>H</i>-benzo[<i>c</i>]silole","","- C22 H22 Si -","- C22 H22 Si -","- C88 H88 Si4 -","4","0.5","FJ2035","Amanda J. Watson; Stephen K. Cope; Daniel S. Jones; Craig A. Ogle","<i>cis</i>-2,2-Dimethyl-1,3-diphenyl-2,3-dihydro-1<i>H</i>-benzo[<i>c</i>]silole","Acta Crystallographica Section E","2007","63","7","o3346","o3346","10.1107/S1600536807030620","","","1.54184","CuKα","","","0.0448","","","","0.1423","","","","","","1.051","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2310390","6.63","","13.36","","14.43","","90","","90","","90","","1278.16","","","","","","","","","","","","","3","P c m n","-P 2n 2ac","62","","P3 N3 Br6","","- Br6 N3 P3 -","- Br6 N3 P3 -","- Br24 N12 P12 -","4","0.5","","Giglio, E.; Puliti, R.","Crystal structure of trimeric phosphonitrilic bromide","Acta Crystallographica (1,1948-23,1967)","1967","22","","304","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00",""
"2310618","5.367","","7.6438","","5.4439","","90","","90","","90","","223.332","","","","","","","","","","","","","3","P c m n","-P 2n 2ac","62","","Ca (Ti O3)","","- Ca O3 Ti -","- Ca O3 Ti -","- Ca4 O12 Ti4 -","4","0.5","","Kay, H.F.; Bailey, P.C.","Structure and properties of Ca Ti O3","Acta Crystallographica (1,1948-23,1967)","1957","10","","219","226","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310654","4.74","","5.64","","13.8","","90","","90","","90","","368.924","","","","","","","","","","","","","3","P c m n","-P 2n 2ac","62","","K (Cl O3)","","- Cl K O3 -","- Cl K O3 -","- Cl4 K4 O12 -","4","0.5","","Ramachandran, G.N.; Lonappan, M.A.","The structure of high-temperature potassium chlorate","Acta Crystallographica (1,1948-23,1967)","1957","10","","281","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310716","5.513","","7.7508","","5.4941","","90","","90","","90","","234.764","","","","","","","","","","","","","3","P c m n","-P 2n 2ac","62","","Na Ta O3","","- Na O3 Ta -","- Na O3 Ta -","- Na4 O12 Ta4 -","4","0.5","","Ahtee, M.; Unonius, L.","The structure of Na Ta O3 by X-ray powder diffraction","Acta Crystallographica A (24,1968-38,1982)","1977","33","","150","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"3000226","4.65","0.001","5.582","0.001","13.368","0.002","90","","90","","90","","346.98","0.11","296","2","296","2","","","","","","","synthetic","3","P c m n","-P 2n 2ac","62","","potassium chlorate(V) (HTM)","","- Cl K O3 -","- Cl K O3 -","- Cl4 K4 O12 -","4","0.5","","Reiner, G.; Wartchow, R.","On Potassiumchlorate, K Cl O3, Rubidiumchlorate, Rb Cl O3, and Cesiumchlorate, Cs Cl O3 . II. Crystal structure of high-temperature K Cl O3 at 296 K","Institutionelles Repositorium der Leibniz Universitaet Hannover","2019","","","","","10.15488/4740","","","0.71073","MoKα","","0.0524","0.0404","","","0.0418","0.044","","","","","","1.286","","","","has coordinates","301810","2025-08-19","19:21:35",""
"4022052","9.2444","0.0009","12.5227","0.0012","15.7503","0.0015","90","","90.117","0.012","90","","1823.3","0.3","293","2","293","2","","","","","","","","3","P c m n","-P 2n 2ac","62","","","","- C26 H32 O -","- C26 H32 O -","- C104 H128 O4 -","4","0.5","","Andrey A. Fokin; Peter R. Schreiner; Natalie A. Fokina; Boryslav A. Tkachenko; Heike Hausmann; Michael Serafin; Jeremy E. P. Dahl; Shenggao Liu; Robert M. K. Carlson","Reactivity of [1(2,3)4]Pentamantane (T~d~-Pentamantane): A Nanoscale Model of Diamond","Journal of Organic Chemistry","2006","71","","8532","8540","10.1021/jo061561x","","","0.71073","MoKα","","0.0712","0.0413","","","0.1163","0.1357","","","","","","0.855","","","","has coordinates","301812","2025-08-19","20:48:12",""
"4067621","6.6689","0.0003","14.6578","0.0008","17.1651","0.0012","90","","90","","90","","1677.91","0.17","208","2","208","2","","","","","","","","5","P c m n","-P 2n 2ac","62","","2,6-bis[1,1-dihydroxy-2,2,2-trifluoroethyl]pyridine","","- C13 H15 F6 N O5 -","- C13 H15 F6 N O5 -","- C52 H60 F24 N4 O20 -","4","0.5","","Zhu, Di; Janssen, Femke F. B. J.; Budzelaar, Peter H. M.","(Py)2Co(CH2SiMe3)2As an Easily Accessible Source of “CoR2”","Organometallics","2010","29","8","1897","","10.1021/om901045s","","","0.71073","MoKα","","0.0916","0.0623","","0.1446","0.1326","0.1446","","","1.086","","","1.086","","","","has coordinates","178567","2020-10-21","18:00:00",""
"4118295","9.798","0.008","7.009","0.006","21.613","0.018","90","","90","","90","","1484","2","120","2","120","2","","","","","","","","7","P c m n","-P 2n 2ac","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.1269","0.0678","","","","0.1557","","","","","","0.742","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118296","9.803","0.009","7.029","0.006","21.595","0.019","90","","90","","90","","1488","2","120","2","120","2","","","","","","","","7","P c m n","-P 2n 2ac","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.999 Ru S -","- C20 H68 Cl8 N20 O11.996 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.1375","0.0739","","","","0.188","","","","","","0.786","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118298","9.816","0.009","7.052","0.007","21.62","0.019","90","","90","","90","","1497","2","120","2","120","2","","","","","","","","7","P c m n","-P 2n 2ac","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.999 Ru S -","- C20 H68 Cl8 N20 O11.996 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.1566","0.135","","","","0.4371","","","","","","1.417","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4119661","8.698","0.005","13.345","0.007","17.896","0.01","90","","90","","90","","2077","2","113","2","113","2","","","","","","","synthesis as described","7","P c m n","-P 2n 2ac","62","[Ni(TPCF3,Me)Br]","[bromido{Hydrotris(5-methyl-3-(trifluoro)methyl- pyrazoryl)borato}nickel(II)]","","- C15 H13 B Br F9 N6 Ni -","- C15 H13 B Br F9 N6 Ni -","- C60 H52 B4 Br4 F36 N24 Ni4 -","4","0.5","","Jun Nakazawa; Shota Terada; Masaki Yamada; Shiro Hikichi","Structural Characterization and Oxidation Reactivity of a Nickel(II) Acylperoxo Complex","Journal of the American Chemical Society","2013","135","","6010","6013","10.1021/ja4020277","","","0.71073","MoKα","","0.0542","0.0506","","","0.1151","0.1194","","","","","","1.055","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4301124","7.5177","0.0008","14.6493","0.0015","14.9539","0.0015","90","","90","","90","","1646.9","0.3","298","","298","","","","","","","","","6","P c m n","-P 2n 2ac","62","","","","- C8 H13 Cr Mn N8 O2 -","- C8 H6 Cr Mn N8 O2 -","- C32 H24 Cr4 Mn4 N32 O8 -","4","0.5","","Yusuke Yoshida; Katsuya Inoue; Mohamedally Kurmoo","On the Nature of the Reversibility of Hydration-Dehydration on the Crystal Structure and Magnetism of the Ferrimagnet [MnII(enH)(H2O)][CrIII(CN)6].H2O","Inorganic Chemistry","2009","48","","267","276","10.1021/ic801734x","","","0.71073","MoKα","","0.0458","0.0395","","","0.1263","0.1322","","","","","","1.075","","","","has coordinates,has disorder","179049","2020-10-21","18:00:00",""
"4301125","7.5298","0.0009","14.6804","0.0019","14.976","0.0019","90","","90","","90","","1655.5","0.4","298","","298","","","","","","","","","6","P c m n","-P 2n 2ac","62","","","","- C8 H13 Cr Mn N8 O2 -","- C8 H6 Cr Mn N8 O2 -","- C32 H24 Cr4 Mn4 N32 O8 -","4","0.5","","Yusuke Yoshida; Katsuya Inoue; Mohamedally Kurmoo","On the Nature of the Reversibility of Hydration-Dehydration on the Crystal Structure and Magnetism of the Ferrimagnet [MnII(enH)(H2O)][CrIII(CN)6].H2O","Inorganic Chemistry","2009","48","","267","276","10.1021/ic801734x","","","0.71073","MoKα","","0.0605","0.0414","","","0.1182","0.1297","","","","","","1.001","","","","has coordinates,has disorder","179049","2020-10-21","18:00:00",""
"4326749","12.976","0.004","14.267","0.005","19.098","0.007","90","","90","","90","","3536","2","293","2","293","2","","","","","","","","6","P c m n","-P 2n 2ac","62","Cy5[NPN]DMPZrCl2","","","- C38 H41 Cl2 N2 P Zr -","- C38 H41 Cl2 N2 P Zr -","- C152 H164 Cl8 N8 P4 Zr4 -","4","0.5","","Ting Zhu; Truman C. Wambach; Michael D. Fryzuk","New Cyclopentenyl-Linked [NPN] Ligands and Their Coordination Chemistry with Zirconium: Synthesis of a Dinuclear Side-On-Bound Dinitrogen Complex","Inorganic Chemistry","2011","50","","11212","11221","10.1021/ic201762r","","","0.71069","MoKα","","0.026","0.0216","","","0.059","0.061","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334803","9.6936","0.0004","18.1092","0.0008","22.5803","0.0012","90","","90","","90","","3963.8","0.3","223","2","223","2","","","","","","","synthesis as described","6","P c m n","-P 2n 2ac","62","","","","- C38 H55 Cl2 Mo N3 O4 -","- C38 H55 Cl2 Mo N3 O4 -","- C152 H220 Cl8 Mo4 N12 O16 -","4","0.5","","Mikko M. Hänninen; Petriina Paturi; Heikki M. Tuononen; Reijo Sillanpää; Ari Lehtonen","Heptacoordinated Molybdenum(VI) Complexes of Phenylenediamine Bis(phenolate): A Stable Molybdenum Amidophenoxide Radical","Inorganic Chemistry","2013","52","","5714","5721","10.1021/ic302355b","","x-ray","0.71073","MoKα","","0.0455","0.0402","","","0.1057","0.1089","","","","","","1.119","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4335437","12.011","0.004","12.166","0.003","14.454","0.004","90","0.02","90","0.03","90","0.02","2112.1","1.1","293","2","293","2","","","","","","","","7","P c m n","-P 2n 2ac","62","Ammounium silver uranyl borophosphate arsenate","","","- Ag0.74 B2 H13.26 N3 O24 P5 U2 -","- Ag0.74 B2 N3 O24 P5 U2 -","- Ag2.96 B8 N12 O96 P20 U8 -","4","0.5","","Shijun Wu; Matthew J. Polinski; Thomas Malcherek; Ulrich Bismayer; Martina Klinkenberg; Giuseppe Modolo; Dirk Bosbach; Wulf Depmeier; Thomas E. Albrecht-Schmitt; Evgeny V. Alekseev","Novel Fundamental Building Blocks and Site Dependent Isomorphism in the First Actinide Borophosphates","Inorganic Chemistry","2013","52","","7881","7888","10.1021/ic400214x","","","0.71073","MoKα","","0.0511","0.039","","","0.0795","0.0834","","","","","","1.121","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335438","12.109","0.003","12.353","0.006","14.678","0.004","90","","90","","90","","2195.6","1.3","293","2","293","2","","","","","","","","8","P c m n","-P 2n 2ac","62","Ammounium silver uranyl borophosphate arsenate","","","- Ag2.28 As8.96 B8 H52.72 N12 O96 P11.04 U8 -","- Ag0.57 As2.24 B2 N3 O24 P2.76 U2 -","- Ag2.28 As8.96 B8 N12 O96 P11.04 U8 -","4","0.5","","Shijun Wu; Matthew J. Polinski; Thomas Malcherek; Ulrich Bismayer; Martina Klinkenberg; Giuseppe Modolo; Dirk Bosbach; Wulf Depmeier; Thomas E. Albrecht-Schmitt; Evgeny V. Alekseev","Novel Fundamental Building Blocks and Site Dependent Isomorphism in the First Actinide Borophosphates","Inorganic Chemistry","2013","52","","7881","7888","10.1021/ic400214x","","","0.71073","MoKα","","0.0749","0.0694","","","0.1574","0.1595","","","","","","1.346","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339275","24.6254","0.0006","14.0075","0.001","14.2447","0.0006","90","","90","","90","","4913.6","0.4","","","293","","","","","","","","","2","P c m n","-P 2n 2ac","62","","","","- Ho13 Zn58.711 -","- Ho13 Zn58.709 -","- Ho52 Zn234.836 -","4","0.5","","Piao, Shuying; Lidin, Sven","Occupation waves the way you have never seen them: the orthorhombic quasicrystal approximants RE(13)Zn(58+)(delta) (RE = Ho, Er, Tm, and Lu).","Inorganic chemistry","2007","46","16","6452","6463","10.1021/ic700476w","","","0.71069","MoKα","","0.0727","0.0499","","","0.0493","0.0552","","","","2.11","2.11","2.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4343096","11.8793","0.0008","6.9711","0.0004","11.2531","0.0006","90","","90","","90","","931.89","0.1","297","","297","","","","","","","","","4","P c m n","-P 2n 2ac","62","","Di-potassium sodium tri-aluminium dodeca-fluoride","","- Al3 F12 K2 Na -","- Al3 F12 K2 Na -","- Al12 F48 K8 Na4 -","4","0.5","","Kirik, Sergei D.; Zaitseva, Yulia N.; Leshok, Darya Yu; Samoilo, Alexandr S.; Dubinin, Petr S.; Yakimov, Igor S.; Simakov, Dmitry A.; Gusev, Alexandr O.","NaF-KF-AlF3 System: Phase Transition in K2NaAl3F12 Ternary Fluoride.","Inorganic chemistry","2015","54","12","5960","5969","10.1021/acs.inorgchem.5b00772","powder diffraction","","1.54184","CuKα","","","","","","","","","7.2946","1.93","","","","","","","has coordinates","171658","2020-10-21","18:00:00",""
"4349558","6.06932","0.00011","25.5373","0.0006","27.9983","0.0006","90","","90","","90","","4339.57","0.16","292.2","0.6","292.2","0.6","","","","","","","","6","P c m n","-P 2n 2ac","62","","","","- C28 H32 Br Cu N12 O4 -","- C28 H32 Br Cu N12 O4 -","- C112 H128 Br4 Cu4 N48 O16 -","4","0.5","","Wu, Di; Jiang, Ruyong; Luo, Liang; He, Zhen; You, Jingsong","Bromide anion-triggered visible responsive metallogels based on squaramide complexes","Inorganic Chemistry Frontiers","2016","3","12","1597","","10.1039/C6QI00386A","","x-ray","1.54184","CuKα","","0.1054","0.098","","","0.3076","0.3134","","","","","","1.107","","","","has coordinates","234881","2020-10-21","18:00:00",""
"5910105","4.86","","6.07","","10.26","","90","","90","","90","","302.672","","","","","","","","","","","","","3","P c m n","-P 2n 2ac","","","Lithiophosphate","","- Li3 O4 P -","- Li12 O16 P4 -","- Li12 O16 P4 -","","","","Wyckoff, R. W. G.","Page 65 from the second edition supplement of The Structure of Crystals by Wyckoff R W G. published by Reinhold PublishingCorporation, INC, Camden,N. J. in 1935 & http://database.iem.ac.ru/mincryst/","The second edition supplement of The Structure of Crystals","1935","","","65","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"7004013","7.6347","0.0003","11.2775","0.0006","22.2136","0.0009","90","","90","","90","","1912.6","0.15","150","","150","","","","","","","","","5","P c m n","-P 2n 2ac","62","","Ti(NtBu)(Me4DACH)Cl2","","- C14 H32 Cl2 N4 Ti -","- C14 H32 Cl2 N4 Ti -","- C56 H128 Cl8 N16 Ti4 -","4","0.5","","Hayday, Gregory J.; Wang, Chao; Rees, Nicholas H.; Mountford, Philip","Imido titanium compounds bearing the 6-dimethylamino-1,4,6-trimethyl-1,4-diazacycloheptane ligand: synthesis, structures, solution dynamics and ethylene polymerisation capability","Dalton Transactions","2008","","25","3301","3310","10.1039/b802027b","","","0.71073","MoKα","","0.0827","0.058","","0.0671","0.0602","0.0602","","","","","","1.0552","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7004015","9.3464","0.0002","13.9957","0.0003","21.1047","0.0005","90","","90","","90","","2760.69","0.11","150","","150","","","","","","","","","5","P c m n","-P 2n 2ac","62","","Ti(N-2,6-C6H3iPr2)(Me4DACH)Cl2 .CH2Cl2","","- C23 H42 Cl4 N4 Ti -","- C23 H42 Cl4 N4 Ti -","- C92 H168 Cl16 N16 Ti4 -","4","0.5","","Hayday, Gregory J.; Wang, Chao; Rees, Nicholas H.; Mountford, Philip","Imido titanium compounds bearing the 6-dimethylamino-1,4,6-trimethyl-1,4-diazacycloheptane ligand: synthesis, structures, solution dynamics and ethylene polymerisation capability","Dalton Transactions","2008","","25","3301","3310","10.1039/b802027b","","","0.71073","MoKα","","0.048","0.0291","","0.0524","0.0347","0.0347","","","","","","0.9154","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020677","17.6121","0.0012","21.4397","0.0014","38.038","0.002","90","","90","","90","","14363.1","1.6","150","2","150","2","","","","","","","synthesis as described","5","P c m n","-P 2n 2ac","62","","","","- C80 H84 N4 Pt2 S16 -","- C80 H84 N4 Pt2 S16 -","- C480 H504 N24 Pt12 S96 -","6","0.75","","Vacher, Antoine; Barrière, Frédéric; Camerel, Franck; Bergamini, Jean-François; Roisnel, Thierry; Lorcy, Dominique","Cis and trans-bis(tetrathiafulvalene-acetylide) platinum(II) complexes: syntheses, crystal structures, and influence of the ancillary ligands on their electronic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","383","394","10.1039/c2dt31686b","","x-ray","0.71073","MoKα","","0.101","0.0523","","","0.1174","0.1297","","","","","","0.977","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7023192","9.6828","0.0016","14.744","0.002","16.341","0.003","90","","90","","90","","2332.9","0.7","296","2","293","","","","","","","","","6","P c m n","-P 2n 2ac","62","","","","- C9 H22 Cr N10 O S6 -","- C9 H22 Cr N10 O S6 -","- C36 H88 Cr4 N40 O4 S24 -","4","0.5","","Savard, Didier; Leznoff, Daniel B.","Synthesis, structure and light scattering properties of tetraalkylammonium metal isothiocyanate salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14982","14991","10.1039/c3dt50974e","","","0.71073","MoKα","","0.0972","0.0564","","0.0794","0.0562","0.0533","","","","","","1.0782","","","","has coordinates","301848","2025-08-21","12:23:42",""
"7025756","8.1966","0.0002","13.6939","0.0003","18.0046","0.0004","90","","90","","90","","2020.9","0.08","123","2","123","2","","","","","","","","5","P c m n","-P 2n 2ac","62","","","","- C19 H24 Cl2 N5 Pd -","- C19 H24 Cl2 N5 Pd -","- C76 H96 Cl8 N20 Pd4 -","4","0.5","","John, Alex; Shaikh, Mobin M.; Butcher, Ray J.; Ghosh, Prasenjit","Highly efficient palladium precatalysts of homoscorpionate bispyrazolyl ligands for the more challenging Suzuki-Miyaura cross-coupling of aryl chlorides.","Dalton transactions (Cambridge, England : 2003)","2010","39","31","7353","7363","10.1039/c003174g","","","0.71073","MoKα","","0.0435","0.0275","","","0.0652","0.0686","","","","","","1.032","","","","has coordinates","301848","2025-08-21","12:23:47",""
"7028212","7.551","0.003","11.904","0.005","19.349","0.008","90","","90","","90","","1739.2","1.2","93","2","93","2","","","","","","","","6","P c m n","-P 2n 2ac","62","","","","- C4 H5 F5 N2 O2 V2 -","- C4 H5 F5 N2 O2 V2 -","- C32 H40 F40 N16 O16 V16 -","8","1","","Aidoudi, Farida H.; Black, Cameron; Arachchige, Kasun S Athukorala; Slawin, Alexandra M. Z.; Morris, Russell E.; Lightfoot, Philip","Structural diversity in hybrid vanadium(IV) oxyfluorides based on a common building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","568","575","10.1039/c3dt52385c","","","0.71073","MoKα","","0.1414","0.0931","","","0.2793","0.3293","","","","","","1.109","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7031974","9.3058","0.0001","19.5694","0.0003","27.4022","0.0004","90","","90","","90","","4990.19","0.12","173","2","173","2","","","","","","","synthesis as described","5","P c m n","-P 2n 2ac","62","","","","- C46 H68 N4 O Pb -","- C46 H68 N4 O Pb -","- C184 H272 N16 O4 Pb4 -","4","0.5","","Harris, Lisa A.-M.; Tam, Eric C. Y.; Coles, Martyn P.; Fulton, J. Robin","Lead and tin β-diketiminato amido/anilido complexes: competitive nucleophilic reactivity at the β-diketiminato γ-carbon.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13803","13814","10.1039/c4dt01714e","","x-ray","0.7107","MoKα","","0.0747","0.0588","","","0.1951","0.2115","","","","","","1.338","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7114865","8.1066","0.0003","10.3543","0.0003","17.9336","0.0006","90","","90","","90","","1505.31","0.09","150","2","150","2","","","","","","","synthesis as described","5","P c m n","-P 2n 2ac","62","","","","- C14 H15 B Co N6 -","- C14 H15 B Co N6 -","- C56 H60 B4 Co4 N24 -","4","0.5","","Brunker, Tim J.; Barlow, Stephen; O’Hare, Dermot","(η5-Cyclopentadienyl)(κ3 -hydrotris(pyrazolyl)borate)cobalt(ii)—the first high-spin cobalt organometallic complexElectronic supplementary information (ESI) available: full characterisation data for all compounds. See http://www.rsc.org/suppdata/cc/b1/b105661c/","Chemical Communications","2001","","20","2052","","10.1039/b105661c","","x-ray","0.71073","MoKα","","0.0396","0.0301","","","0.0689","0.0724","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7117496","10.52","","8.8","","16.21","","90","","90","","90","","1500.66","","","","","","","","","","","","","4","P c m n","-P 2n 2ac","62","","S8 O Sb Cl5","","- Cl5 O S8 Sb -","- Cl5 O S8 Sb -","- Cl20 O4 S32 Sb4 -","4","0.5","","Steudel, R.; Sandow, T.; Steidel, J.","Reversible Isomerization of Cyclo-octasulphur Monoxide; Preparation and X-Ray Crystal Structure of S8 O Sb Cl5","Journal of the Chemical Society. Chemical Communications (1972-)","1980","1980","","180","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221101","22.058","","3.6078","","9.3619","","90","","90","","90","","745.028","","","","","","","","","","","","","4","P c m n","-P 2n 2ac","62","","Na1.29 (V3 O8) (H2 O)0.64","","- H1.28 Na1.29 O8.64 V3 -","- Na1.29 O8.64 V3 -","- Na5.16 O34.56 V12 -","4","0.5","","Legagneur, V.; le Gal la Salle, A.; Verbaere, A.; Guyomard, D.; Piffard, Y.","New layered vanadium oxides My H1-y V3 O8 . n(H2 O) (M = Li, Na, K)obtained by oxidation of the precursor H2 V3 O8","Journal of Materials Chemistry","2000","10","","2805","2810","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221467","14.648","","25.087","","12.676","","90","","90","","90","","4658.1","","","","","","","","","","","","","2","P c m n","-P 2n 2ac","62","","Tl2 Cl3","","- Cl3 Tl2 -","- Cl3 Tl2 -","- Cl96 Tl64 -","32","4","","Boehme, R.; Rath, J.; Thiele, G.; Grunwald, B.","Ueber zwei Modifikationen von Tl2 Cl3 - valenzgemischten Thallium(I)-hexahalogenothallaten(III) Tl3 (Tl Cl6)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1980","35","","1366","1372","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7714132","10.2865","0.0002","23.5155","0.0007","20.9909","0.0004","90","","90","","90","","5077.5","0.2","100","2","100","2","","","","","","","","5","P c m n","-P 2n 2ac","62","","","","- C16 H12 I2 N2 Pt -","- C16 H12 I2 N2 Pt -","- C192 H144 I24 N24 Pt12 -","12","1.5","","Gitlina, Anastasiia Yu.; Petrovskii, Stanislav; Luginin, Maksim; Melnikov, Alexei S.; Rychagova, Elena A.; Ketkov, Sergey Yu.; Grachova, Elena V.","X/Y Platinum(II) complexes: some features of supramolecular assembly via halogen bonding","Dalton Transactions","2023","","","","","10.1039/D3DT02970K","","","0.71073","MoKα","","0.0753","0.074","","","0.1674","0.168","","","","","","1.399","","","","has coordinates,has disorder","286833","2023-10-06","22:58:50",""
"9000039","6.463","","11.117","","6.234","","90","","90","","90","","447.908","","","","","","","","","","","","","3","P c m n","-P 2n 2ac","62","","","Cubanite","- Cu Fe2 S3 -","- Cu Fe2 S3 -","- Cu4 Fe8 S12 -","4","0.5","","Buerger, M. J.","The crystal structure of cubanite","American Mineralogist","1947","32","","415","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000065","6.46","","11.12","","6.23","","90","","90","","90","","447.533","","","","","","","","","","","","","3","P c m n","-P 2n 2ac","62","","","Cubanite","- Cu Fe2 S3 -","- Cu Fe2 S3 -","- Cu4 Fe8 S12 -","4","0.5","","Azaroff, L. V.; Buerger, M. J.","Refinement of the structure of cubanite, CuFe2S3","American Mineralogist","1955","40","","213","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000082","4.63","","7.69","","13.53","","90","","90","","90","","481.732","","","","","","","","","","","","","3","P c m n","-P 2n 2ac","62","","","Sanbornite","- Ba O5 Si2 -","- Ba O5 Si2 -","- Ba4 O20 Si8 -","4","0.5","","Douglass, R. M.","The crystal structure of sanbornite, BaSi2O5","American Mineralogist","1958","43","","517","536","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000307","9.792","","13.644","","9.629","","90","","90","","90","","1286.45","","","","","","","","","","","","","5","P c m n","-P 2n 2ac","62","","","Cavansite","- Ca H8 O15 Si4 V -","- Ca H8 O15 Si4 V -","- Ca4 H32 O60 Si16 V4 -","4","0.5","","Evans, H. T.","The crystal structures of cavansite and pentagonite","American Mineralogist","1973","58","","412","424","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:30",""
"9001495","6.46","","11.1","","6.22","","90","","90","","90","","446.011","","","","","","","","0","","","","","3","P c m n","-P 2n 2ac","62","","","Cubanite","- Cu Fe2 S3 -","- Cu Fe2 S3 -","- Cu4 Fe8 S12 -","4","0.5","","McCammon, C. A.; Zhang, J.; Hazen, R. M.; Finger, L. W.","High-pressure crystal chemistry of cubanite, CuFe2S3 P = 0 GPa, in air","American Mineralogist","1992","77","","937","944","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001496","6.455","","11.102","","6.226","","90","","90","","90","","446.176","","","","","","","","0","","","","","3","P c m n","-P 2n 2ac","62","","","Cubanite","- Cu Fe2 S3 -","- Cu Fe2 S3 -","- Cu4 Fe8 S12 -","4","0.5","","McCammon, C. A.; Zhang, J.; Hazen, R. M.; Finger, L. W.","High-pressure crystal chemistry of cubanite, CuFe2S3 P = 0 GPa, in the cell","American Mineralogist","1992","77","","937","944","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001497","6.404","","11.01","","6.158","","90","","90","","90","","434.189","","","","","","","","1700000","","","","","3","P c m n","-P 2n 2ac","62","","","Cubanite","- Cu Fe2 S3 -","- Cu Fe2 S3 -","- Cu4 Fe8 S12 -","4","0.5","","McCammon, C. A.; Zhang, J.; Hazen, R. M.; Finger, L. W.","High-pressure crystal chemistry of cubanite, CuFe2S3 P = 1.7 GPa","American Mineralogist","1992","77","","937","944","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001498","6.344","","10.919","","6.098","","90","","90","","90","","422.409","","","","","","","","3600000","","","","","3","P c m n","-P 2n 2ac","62","","","Cubanite","- Cu Fe2 S3 -","- Cu Fe2 S3 -","- Cu4 Fe8 S12 -","4","0.5","","McCammon, C. A.; Zhang, J.; Hazen, R. M.; Finger, L. W.","High-pressure crystal chemistry of cubanite, CuFe2S3 P = 3.6 GPa","American Mineralogist","1992","77","","937","944","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9007780","10.303","","5.668","","13.178","","90","","90","","90","","769.561","","","","","","","","","","","","","5","P c m n","-P 2n 2ac","62","","","","- Ba2 Cu1.1 Ho2 O8 Pt0.9 -","- Ba2 Cu1.1 Ho2 O8 Pt0.9 -","- Ba8 Cu4.4 Ho8 O32 Pt3.6 -","4","0.5","","Saito, Y.; Ukei, K.; Shishido, T.; Fukuda, T.","Structure of Ho2Ba2Cu1+xPt1-xO8(x=0.1)","Acta Crystallographica, Section C","1990","46","","970","972","10.1107/S0108270189006670","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9008143","9.621","","17.363","","6.994","","90","","90","","90","","1168.34","","","","","","","","","","","","Montgomery County, Arkansas, USA","4","P c m n","-P 2n 2ac","62","","","Wavellite","- Al3 H15 O16 P2 -","- Al3 H13 O16 P2 -","- Al12 H52 O64 P8 -","4","0.5","","Araki, T.; Zoltai, T.","The crystal structure of wavellite","Zeitschrift fur Kristallographie","1968","127","","21","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9008202","6.4679","","11.1201","","6.2336","","90","","90","","90","","448.344","","","","","","","","","","","","","3","P c m n","-P 2n 2ac","62","","","Cubanite","- Cu Fe2 S3 -","- Cu Fe2 S3 -","- Cu4 Fe8 S12 -","4","0.5","","Fleet, M. E.","Refinement of the crystal structure of cubanite and polymorphism of CuFe2S3 Sample: anisotropic refinement Note: x(S1) corrected","Zeitschrift fur Kristallographie","1971","132","","276","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008203","6.4679","","11.1201","","6.2336","","90","","90","","90","","448.344","","","","","","","","","","","","","3","P c m n","-P 2n 2ac","62","","","Cubanite","- Cu Fe2 S3 -","- Cu Fe2 S3 -","- Cu4 Fe8 S12 -","4","0.5","","Fleet, M. E.","Refinement of the crystal structure of cubanite and polymorphism of CuFe2S3 Sample: isotropic refinement","Zeitschrift fur Kristallographie","1971","132","","276","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008250","9.6987","","4.0203","","7.111","","90","","90","","90","","277.27","","","","","","","","","","","","","4","P c m n","-P 2n 2ac","62","","","Laurionite","- Cl H O Pb -","- Cl H O Pb -","- Cl4 H4 O4 Pb4 -","4","0.5","","Venetopoulos, C. C.; Rentzeperis, P. J.","The crystal structure of laurionite, Pb(OH)Cl","Zeitschrift fur Kristallographie","1975","141","","246","259","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9009323","5.83","","6.775","","21.711","","90","","90","","90","","857.547","","","","","","","","","","","","Likasi Mine, Zaire","4","P c m n","-P 2n 2ac","62","","","Likasite","- Cu3 H9 N O10 -","- Cu3 H9 N O10 -","- Cu12 H36 N4 O40 -","4","0.5","","Effenberger, H.","Likasite, Cu3(OH)5(NO3)*2(H2O): Revision of the chemical formula and redetermination of the crystal structure","Neues Jahrbuch fur Mineralogie, Monatshefte","1986","1986","","101","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:26",""
"9011924","4.926","","6.129","","10.483","","90","","90","","90","","316.497","","","","","","","","","","","","","3","P c m n","-P 2n 2ac","62","","","Lithiophosphate","- Li3 O4 P -","- Li3 O4 P -","- Li12 O16 P4 -","4","0.5","","Bondareva, O. S.; Simonov, M. A.; Belov, N. V.","The crystal structure of the synthetic analogue of the lithiophospate gamma-Li3PO4","Doklady Akademii Nauk SSSR","1978","240","","75","77","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9014341","9.794","","13.67","","9.643","","90","","90","","90","","1291.04","","","","","","","","","","","","Deccan basalts, Wagholi, India","5","P c m n","-P 2n 2ac","62","","","Cavansite","- Ca H7 O15 Si4 V -","- Ca H7 O15 Si4 V -","- Ca4 H28 O60 Si16 V4 -","4","0.5","","Ishida, N.; Kimata, M.; Nishida, N.; Hatta, T.; Shimizu, M.; Akasaka, T.","Polymorphic relation between cavanite and pentagonite: genetic implications of oxonium ion in cavansite","Journal of Mineralogical and Petrological Sciences","2009","104","","241","252","10.2465/jmps.070724b","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015314","9.7614","","13.6666","","9.6049","","90","","90","","90","","1281.34","","","","","","","","","","","","Pune, India","5","P c m n","-P 2n 2ac","62","","","Cavansite","- Ca H8 O15 Si4 V -","- Ca H8 O15 Si4 V -","- Ca4 H32 O60 Si16 V4 -","4","0.5","","Hughes, J. M.; Derr, R. S.; Cureton, F.; Campana, C. F.; Druschel, G.","The crystal structure of cavansite: location of the H2O molecules and hydrogen atoms in Ca(VO)(Si4O10)*4H2O Note: T = 296 K","The Canadian Mineralogist","2011","49","","1267","1272","10.3749/canmin.49.5.1267","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015689","9.7518","","13.6854","","9.5965","","90","","90","","90","","1280.72","","","","","","","","","","","","Pune, India","5","P c m n","-P 2n 2ac","62","","","Cavansite","- Ca H8 O15 Si4 V -","- Ca H8 O15 Si4 V -","- Ca4 H32 O60 Si16 V4 -","4","0.5","","Hughes, J. M.; Derr, R. S.; Cureton, F.; Campana, C. F.; Druschel, G.","The crystal structure of cavansite: location of the H2O molecules and hydrogen atoms in Ca(VO)(Si4O10)*4H2O Note: T = 100 K","The Canadian Mineralogist","2011","49","","1267","1272","10.3749/canmin.49.5.1267","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9017675","9.6422","","17.4146","","7.0094","","90","","90","","90","","1176.98","","","","","","","","","","","","Zbirov, Bohemia, Czech Republic","5","P c m n","-P 2n 2ac","62","","","Wavellite","- Al3 F0.53 H12.67 O15.57 P2 -","- Al3 F0.53 H12.67 O15.57 P2 -","- Al12 F2.12 H50.68 O62.28 P8 -","4","0.5","","Capitelli, F.; Della Ventura, G.; Bellatreccia, F.; Sodo, A.; Saviano, M.; Ghiara, M. R.; Rossi, M.","Crystal-chemical study of wavellite from Zbirov, Czech Republic","Mineralogical Magazine","2014","78","","1057","1070","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""