# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T18:56:55+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 1 1 21/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
"1510096","8.067","","11.846","","8.27","","90","","90","","101.91","","773.282","","","","","","","","","","","","","3","P 1 1 21/n","-P 2n","14","","(Au Cl3 (S Cl2))","","- Au Cl5 S -","- Au Cl5 S -","- Au4 Cl20 S4 -","4","1","","Lapko, V.F.; Rybakov, V.B.; Volkov, S.V.; Fokina, Z.A.; Aslanov, L.A.","Crystal structure of product of interaction of AuCl3 and SCl2","Zhurnal Neorganicheskoi Khimii","1991","36","","2534","2535","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1525808","9.306","","5.383","","8.738","","90","","90","","89.75","","437.719","","","","","","","","","","","","","4","P 1 1 21/n","-P 2n","14","","Cs Li (Be F4)","","- Be Cs F4 Li -","- Be Cs F4 Li -","- Be4 Cs4 F16 Li4 -","4","1","","Chung, S.J.; Hahn, T.","Tetrahedral-framework structures of (N H4) Li Be F4 and Cs Li Be F4","Materials Research Bulletin","1972","7","","1209","1218","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526519","8.1098","","9.1177","","10.8495","","90","","90","","91.53","","801.956","","","","","","","","","","","","","3","P 1 1 21/n","-P 2n","14","","Sr Fe2 O4","","- Fe2 O4 Sr -","- Fe2 O4 Sr -","- Fe16 O32 Sr8 -","8","2","","Kahlenberg, V.; Fischer, R.X.","Structural characterization of strontium monoferrite Sr Fe2 O4, a new stuffed framework compound","Solid State Sciences","2001","3","","433","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529565","7.566","","5.486","","18.082","","90","","90","","111.1","","700.211","","","","","","","","","","","","","3","P 1 1 21/n","-P 2n","14","","Cd2 P6 O17","","- Cd2 O17 P6 -","- Cd2 O17 P6 -","- Cd4 O34 P12 -","2","0.5","","Antsyshkina, A.S.; Porai-Koshits, M.A.; Minacheva, L.Kh.; Ivanova, V.C.","Crystal structure of cadmium ultraphosphate Cd2 P6 O17. Structural patterns of phosphorus-oxygen anions in ultraphosphates","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1979","5","","268","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529704","5.997","","11.109","","9.753","","90","","90","","99.33","","641.156","","","","","","","","","","","","","5","P 1 1 21/n","-P 2n","14","","Sr Ti F6 (H2 O)2","","- F6 H4 O2 Sr Ti -","- F6 H4 O2 Sr Ti -","- F24 H16 O8 Sr4 Ti4 -","4","1","","Bukvetskii, B.V.; Simonov, V.I.; Simonov, M.A.; Muradyan, L.A.","Refinement of the crystal structure of strontium hexafluorotitanate dihydrate Sr Ti F6 (H2 O)2","Kristallografiya","1979","24","","29","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1530193","10.343","","7.294","","11.093","","90","","90","","96.9","","830.815","","","","","","","","","","","","","4","P 1 1 21/n","-P 2n","14","","Y3 (Si3 O10) (O H)","","- H O11 Si3 Y3 -","- O11 Si3 Y3 -","- O44 Si12 Y12 -","4","1","","Kornev, A.N.; Maksimov, B.A.; Batalieva, N.G.; Ilyukhin, V.V.; Belov, N.V.","Crystalline structure of Thalenit Y3 (Si3 O10) (O H)","Doklady Akademii Nauk SSSR","1972","202","","1324","1327","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530214","9.118","","5.294","","8.738","","90","","90","","89.53","","421.775","","","","","","","","","","","","","4","P 1 1 21/n","-P 2n","14","","Li Rb (S O4)","","- Li O4 Rb S -","- Li O4 Rb S -","- Li4 O16 Rb4 S4 -","4","1","","Kruglik, A.I.; Misjul', S.V.; Simonov, M.A.","Crystal structure of double lithium-rubidium sulfate","Kristallografiya","1979","24","","582","585","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530676","11.134","","16.18","","12.018","","90","","90","","101.7","","2120.04","","","","","","","","","","","","","4","P 1 1 21/n","-P 2n","14","","La2 V10 O28 (H2 O)20","","- H40 La2 O48 V10 -","- La2 O48 V10 -","- La4 O96 V20 -","2","0.5","","Saf'yanov, Yu.N.; Kuz'min, E.A.; Belov, N.V.","Crystal structure of lanthanum decavanadate La2 V10 O28 (H2 O)20","Doklady Akademii Nauk SSSR","1978","242","","603","605","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530807","7.374","","10.281","","15.763","","90","","90","","96.12","","1188.21","","","","","","","","","","","","","5","P 1 1 21/n","-P 2n","14","","C (N H2)3 I O3","","- C H6 I N3 O3 -","- C H6 I N3 O3 -","- C8 H48 I8 N24 O24 -","8","2","","Sorokina, N.I.; Ilyukhin, V.V.; Belov, N.V.","The crystal structure of guanido iodate C (N H2)3 I O3","Doklady Akademii Nauk SSSR","1977","236","","1361","1363","","","","","","","","","","","","","","","","","","","","","","has coordinates","189494","2020-10-21","18:00:00",""
"1531123","9.666","","6.66","","10.73","","90","","90","","109.5","","651.129","","","","","","","","","","","","","5","P 1 1 21/n","-P 2n","14","","Pb In (P O4) (P O3 (O H))","","- H In O8 P2 Pb -","- In O8 P2 Pb -","- In4 O32 P8 Pb4 -","4","1","","Belokoneva, E.L.; Gurbanova, O.A.; Dimitrova, O.V.; Al'-Ama, A.G.; Stefanovich, S.Yu.","Synthesis and crystal structure of the new indium lead phosphate Pb In (P O4) (P O3 (OH))","Zhurnal Neorganicheskoi Khimii","2001","46","","1121","1126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531215","11.32","","6.632","","11.549","","90","","90","","91.03","","866.892","","","","","","","","","","","","","4","P 1 1 21/n","-P 2n","14","","Pb2 (B5 O9) (O H) (H2 O)0.5","","- B5 H2 O10.5 Pb2 -","- B5 O10.5 Pb2 -","- B20 O42 Pb8 -","4","1","","Borisova, T.A.; Dimitrova, O.V.; Belokoneva, E.L.","A new centrosymmetric modification of synthetic hilgardite Pb2 (B5 O9) (O H) * 0.5(H2 O)","Kristallografiya","2002","47","","435","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531486","5.182","","7.696","","16.85","","90","","90","","94.07","","670.295","","","","","","","","","","","","","6","P 1 1 21/n","-P 2n","14","","Na In (B P2 O8 (O H))","","- B H In Na O9 P2 -","- B H In Na O9 P2 -","- B4 H4 In4 Na4 O36 P8 -","4","1","","Gurbanova, O.A.; Belokoneva, E.L.; Dimitrova, O.V.","Synthesis and crystal strucutre of the new borophosphate Na In (B P2 O8 (O H))","Zhurnal Neorganicheskoi Khimii","2002","47","","10","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533448","18.36","","6.164","","13.07","","90","","90","","92.2","","1478.06","","","","","","","","","","","","","5","P 1 1 21/n","-P 2n","14","","(N H (C H3)3)2 (Hg Cl4)","","- C6 H20 Cl4 Hg N2 -","- C6 H20 Cl4 Hg N2 -","- C24 H80 Cl16 Hg4 N8 -","4","1","","Amami, M.; Sebald, A.; van Smaalen, S.; Ben Salah, A.; Helluy, X.","Structural investigation of trimethylammonium tetrachloromercurate","Journal of Solid State Chemistry","2004","177","","2961","2970","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533544","7.423","","13.017","","9.534","","90","","90","","90.42","","921.2","","","","","","","","","","","","","3","P 1 1 21/n","-P 2n","14","","Rb2 (Zn Br4)","","- Br4 Rb2 Zn -","- Br4 Rb2 Zn -","- Br16 Rb8 Zn4 -","4","1","","Asahi, T.; Hasebe, K.","X-ray study of Rb2 Zn Br4 under high pressure","Journal of the Physical Society of Japan","2002","71","","2925","2929","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533573","4.7472","","5.7453","","5.1496","","90","","90","","90.023","","140.451","","","","","","","","","","","","","3","P 1 1 21/n","-P 2n","14","","(Mn0.333 Ta0.667) O2","","- Mn0.333 O2 Ta0.667 -","- Mn0.333 O2 Ta0.667 -","- Mn1.332 O8 Ta2.668 -","4","1","","Tarakina, N.V.; Zainulin, Yu.G.; Tyutyunnik, A.P.; Zubkov, V.G.; Svensson, G.; Hannerz, H.; D'yachkova, T.V.","High temperature - high pressure synthesis and crystal structure of the incommensurately modulated, alpha-(Pb O2) related, compound Mn Ta2 O6","Solid State Sciences","2003","5","","983","994","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534829","7.985","","7.096","","6.814","","90","","90","","113.19","","354.897","","","","","","","","","","","","","4","P 1 1 21/n","-P 2n","14","","Co (H Se O3)2 (H2 O)2","","- Co H6 O8 Se2 -","- Co O8 Se2 -","- Co2 O16 Se4 -","2","0.5","","Gulya, A.P.; Biyushkin, V.N.; Shova, S.G.; Rudik, V.F.; Antosyak, B.M.","Molecular and crystal structure of cobalt(II) hydroselenite dihydrate","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1994","20","","368","370","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537603","15.35","","13.813","","7.177","","90","","90","","90.39","","1521.7","","","","","","","","","","","","","3","P 1 1 21/n","-P 2n","14","","(Te Cl3)2 (Pd Cl4)","","- Cl10 Pd Te2 -","- Cl10 Pd Te2 -","- Cl40 Pd4 Te8 -","4","1","","Rybakov, V.B.; Pekhn'o, V.I.; Aslanov, L.A.; Volkov, S.V.; Grafov, A.V.; Fokina, Z.A.","X-ray structural study of palladium(II) chlorochalcogenide complexes.","Zhurnal Neorganicheskoi Khimii","1991","36","","1197","1201","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538534","11.506","","7.27","","10.32","","90","","90","","97.64","","855.591","","","","","","","","","","","","","5","P 1 1 21/n","-P 2n","14","","Na Ga3 (P O4)2 (O H)4","","- Ga3 H4 Na O12 P2 -","- Ga3 H4 Na O12 P2 -","- Ga12 H16 Na4 O48 P8 -","4","1","","Ruchkina, E.A.; Dimitrova, O.V.; Belokoneva, E.L.","Gallium analogue of brazilianite Na Ga3 (P O4)2 (O H)4: synthesis and crystal structure","Zhurnal Neorganicheskoi Khimii","2003","48","","720","723","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540822","10.859","","11.217","","11.887","","90","","90","","108.55","","1372.68","","","","","","","","","","","","","5","P 1 1 21/n","-P 2n","14","","Cs (Dy (H2 O)2) (N O3)4 (H2 O)","","- Cs Dy H6 N4 O15 -","- Cs Dy H6 N4 O15 -","- Cs4 Dy4 H24 N16 O60 -","4","1","","Vigdorchik, A.G.; Malinovskii, Yu.A.; Dryuchko, A.G.","Synthesis and crystal sructure of cesium dysprosium nitrate Cs (Dy (N O3)4 (H2 O)2) (H2 O)","Kristallografiya","1989","34","","1396","1399","","","","","","","","","","","","","","","","","","","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1541723","8.717","","15.267","","8.043","","90","","90","","90.2","","1070.38","","","","","","","","","","","","","5","P 1 1 21/n","-P 2n","14","","Na (Zn.8 Fe.2) P O4","","- Fe0.2 Na O4 P Zn0.8 -","- Fe0.2 Na O4 P Zn0.8 -","- Fe2.4 Na12 O48 P12 Zn9.6 -","12","3","","Plakhov, G.F.; Belov, N.V.","Refined crystal structure of the Zn(Fe) analog of beryllonite allowing for anisotropy of atomic thermal vibrations; comparison with hurlbutite","Kristallografiya","1978","23","","709","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2005048","15.059","0.009","5.153","0.005","11.57","0.009","90","","90","","95.83","0.06","893.2","1.2","293","1","","","","","","","","","","6","P 1 1 21/n","-P 2n","14","","","","- C8 H26 Cl2 Cu N10 O2 -","- C8 H26 Cl2 Cu N10 O2 -","- C16 H52 Cl4 Cu2 N20 O4 -","2","0.5","PA1186","Lemoine, P.; Chiadmi, M.; Bissery, V.; Tomas, A.; Viossat, B.","Les Composés de la Metformine avec les Ions Co^II^, Cu^II^ et Ni^II^","Acta Crystallographica Section C","1996","52","6","1430","1436","10.1107/S0108270195008377","","","1.5418","CuKα","","","0.047","","","0.047","","","","","1.55","1.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2103850","17.317","0.001","15.598","0.001","16.385","0.001","90","","90","","109.477","0.004","4172.5","0.5","105","","105","","","","","","","","","3","P 1 1 21/n","-P 2n","14","Tert-butyl-tris(trimethylsilyl)silane","","","- C13 H36 Si4 -","- C16.6 Si4 -","- C132.8 Si32 -","8","2","OS0101","Wunschel, Markus; Dinnebier, Robert E.; Carlson, Stefan; Bernatowicz, Piotr; van Smaalen, Sander","Influence of the molecular structures on the high-pressure and low-temperature phase transitions of plastic crystals","Acta Crystallographica Section B","2003","59","1","60","71","10.1107/S0108768102021791","","","0.399828","synchrotron","","0.068","0.048","","","0.05","0.065","","","0.58","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103851","17.0089","0.0009","15.3159","0.0008","15.9325","0.0008","90","","90","","110.343","0.003","3891.6","0.4","105","","105","","","","","","","","","3","P 1 1 21/n","-P 2n","14","Di-tert-butyl-bis(trimethylsilyl)silane","","","- C14 H36 Si3 -","- C17.5999 Si3 -","- C140.799 Si24 -","8","2","OS0101","Wunschel, Markus; Dinnebier, Robert E.; Carlson, Stefan; Bernatowicz, Piotr; van Smaalen, Sander","Influence of the molecular structures on the high-pressure and low-temperature phase transitions of plastic crystals","Acta Crystallographica Section B","2003","59","1","60","71","10.1107/S0108768102021791","","","0.399828","synchrotron","","0.078","0.043","","","0.056","0.078","","","0.63","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2107190","5.288","","9.105","","8.731","","90","","90","","90.09","","420.373","","","","","","","","","","","","","4","P 1 1 21/n","-P 2n","14","","Li Rb (S O4)","","- Li O4 Rb S -","- Li O4 Rb S -","- Li4 O16 Rb4 S4 -","4","1","","Tanisaki, S.; Mashiyama, H.; Shiroishi, Y.; Hasebe, K.; Sawada, S.","Room-temperature phase of lithium rubidium sulphate","Acta Crystallographica B (24,1968-38,1982)","1980","36","","3084","3085","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2201553","18.741","0.002","6.302","0.002","13.069","0.003","90","","90","","91.68","0.01","1542.9","0.6","343","2","343","2","","","","","","","","5","P 1 1 21/n","-P 2n","14","bis(trimethylammonium)tetrachloromerurate","trimethylammonium tetrachloromercurates(II)","","- C6 H20 Cl4 Hg N2 -","- C6 H2 Cl4 Hg N2 -","- C24 H8 Cl16 Hg4 N8 -","4","1","OB6148","Amami, Mongi; Van Smaalen, Sander; Ben Salah, Abdelhamid","Bis(trimethylammonium) tetrachloromercurate(II) at 343K","Acta Crystallographica Section E","2002","58","8","m416","m419","10.1107/S160053680201214X","","","0.5","Synchrotron","","0.0507","0.0507","","","0.0785","0.0785","","","","","","2.3","","","","has coordinates","176774","2020-10-21","18:00:00",""
"4107480","12.0086","0.0004","15.2553","0.0005","27.7796","0.0011","90","","90","","68.174","0.002","4724.3","0.3","293","2","223","2","","","","","","","","7","P 1 1 21/n","-P 2n","14","","Phenyltris(1-mesityl-imidazol-2-ylidene)boratoiron(ii) chloride","","- C16.73 H18.91 B0.36 Cl0.36 Fe0.36 N2.18 O0.36 -","- C16.7273 H18.9091 B0.363636 Cl0.363636 Fe0.363636 N2.18182 O0.363636 -","- C184 H208 B4 Cl4 Fe4 N24 O4 -","11","2.75","","Ismael Nieto; Feizhi Ding; Ranko P. Bontchev; Haobin Wang; Jeremy M. Smith","Thermodynamics of Hydrogen Atom Transfer to a High-Valent Iron Imido Complex","Journal of the American Chemical Society","2008","130","","2716","2717","10.1021/ja0776834","","","0.71073","MoKα","","0.0744","0.0666","","","0.2159","0.2299","","","","","","1.113","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4123981","12.3","","12.57","","6.98","","90","","90","","109.96","","1014.36","","","","","","","","","","","","","4","P 1 1 21/n","-P 2n","14","","Fe (N O)2 I","","- Fe I N2 O2 -","- Fe I N2 O2 -","- Fe8 I8 N16 O16 -","8","2","","Dahl, L.F.; Feltham, R.D.; de Gil, E.R.","The solid-state structures of dinitrosyliron iodide and dinitrosylcobalt iodide: the stereochemical consequences of strong metal-metal interactions in ligand-bridged complexes","Journal of the American Chemical Society","1969","91","","1653","1664","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343681","7.639","","9.231","","26.293","","90","","90","","108.45","","1758.77","","","","","","","","","","","","","4","P 1 1 21/n","-P 2n","14","","Ru3 (C O)10 (N O)2","","- C10 N2 O12 Ru3 -","- C10 N2 O12 Ru3 -","- C40 N8 O48 Ru12 -","4","1","","Norton, J.R.; Collman, J.P.; Robinson, W.T.; Dolcetti, G.","The preparation and structure of ruthenium and osmium nitrosyl carbonyl clusters containing double-nitrosyl bridges","Inorganic Chemistry","1972","11","","382","388","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344034","11.2986","0.0002","11.5422","0.0008","36.2597","0.0006","90","","90","","116.998","0.008","4213.3","0.4","123","","123","","","","","","","","","7","P 1 1 21/n","-P 2n","14","","","","- C49 H44 B F2 Fe N3 O4 -","- C49 H44 B F2 Fe N3 O4 -","- C196 H176 B4 F8 Fe4 N12 O16 -","4","1","","Zatsikha, Yuriy V.; Maligaspe, Eranda; Purchel, Anatolii A.; Didukh, Natalia O.; Wang, Yefeng; Kovtun, Yuriy P.; Blank, David A.; Nemykin, Victor N.","Tuning Electronic Structure, Redox, and Photophysical Properties in Asymmetric NIR-Absorbing Organometallic BODIPYs.","Inorganic chemistry","2015","54","16","7915","7928","10.1021/acs.inorgchem.5b00992","","","0.71075","MoKα","","0.0868","0.0784","","0.1644","0.155","0.1644","","","","","","0.994","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035123","11.414","0.008","15.79","0.009","18.041","0.007","90","","90","","106.06","0.04","3125","3","200","2","200","2","","","","","","","synthesis as described","6","P 1 1 21/n","-P 2n","14","","","","- C32 H43 Li N6 O Ti -","- C32 H43 Li N6 O Ti -","- C128 H172 Li4 N24 O4 Ti4 -","4","1","","Pedrosa, Sergio; Vidal, Fernando; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Imido-pyridine Ti(iv) compounds: synthesis of unusual imido-amido heterobimetallic derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11119","11128","10.1039/c5dt01320h","","x-ray","0.71069","MoKα","","0.1334","0.0844","","","0.156","0.1793","","","","","","1.086","","","","has coordinates","143626","2020-10-21","18:00:00",""
"7039459","7.1906","0.0006","12.6491","0.001","19.396","0.0016","90","","89.9973","0.0016","90","","1764.2","0.2","100","2","100.01","","","","","","","","","6","P 1 1 21/n","-P 2n","14","","","","- C18 H18 Au F3 N2 O3 -","- C18 H18 Au F3 N2 O3 -","- C72 H72 Au4 F12 N8 O12 -","4","1","","Holmsen, Marte Sofie Martinsen; Nova, Ainara; Balcells, David; Langseth, Eirin; Øien-Ødegaard, Sigurd; Tråseth, Eline Aasen; Heyn, Richard H.; Tilset, Mats","Small-molecule activation at Au(iii): metallacycle construction from ethylene, water, and acetonitrile.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14719","14724","10.1039/c6dt01648k","","x-ray","0.71073","MoKα","","0.0214","0.0187","","","0.0415","0.0424","","","","","","1.05","","","","has coordinates","187141","2020-10-21","18:00:00",""
"7103364","5.0448","0.0011","8.3551","0.0018","11.006","0.005","90","","90","","94.643","0.018","462.4","0.3","295","2","295","2","","","1200000","","","","","3","P 1 1 21/n","-P 2n","14","1,1,2-trichloroethane","1,1,2-trichloroethane","","- C2 H3 Cl3 -","- C2 H3 Cl3 -","- C8 H12 Cl12 -","4","1","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Energetics of conformational conversion between 1,1,2-trichloroethane polymorphs.","Chemical communications (Cambridge, England)","2008","","37","4439","4441","10.1039/b807372d","","","0.71073","MoKα","","0.0762","0.0488","","","0.0991","0.1028","","","","","","0.988","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103365","4.9978","0.0015","8.208","0.003","10.982","0.004","90","","90","","94.77","0.03","448.9","0.3","295","2","295","2","","","1200000","","","","","3","P 1 1 21/n","-P 2n","14","1,1,2-trichloroethane","1,1,2-trichloroethane","","- C2 H3 Cl3 -","- C2 H3 Cl3 -","- C8 H12 Cl12 -","4","1","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Energetics of conformational conversion between 1,1,2-trichloroethane polymorphs.","Chemical communications (Cambridge, England)","2008","","37","4439","4441","10.1039/b807372d","","","0.71073","MoKα","","0.0594","0.0419","","","0.1137","0.1151","","","","","","1.182","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7221070","8.608","","12.215","","8.929","","90","","90","","90.76","","938.772","","","","","","","","","","","","","4","P 1 1 21/n","-P 2n","14","","Li3 Fe2 (As O4)3","","- As3 Fe2 Li3 O12 -","- As3 Fe2 Li3 O12 -","- As12 Fe8 Li12 O48 -","4","1","","Mesa, J.L.; Moreno, N.O.; Goni, A.; Brandl, A.L.; Barberis, G.E.; Rojo, T.","Structure and magnetic properties of Li3 Fe2 (As O4)3-x (P O4)x (x=0, 1, 1.5, 2): two sublattice weak ferromagnets","Journal of Materials Chemistry","2000","10","","2779","2785","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222849","3.9733","","3.925","","17.432","","90","","90","","90","","271.856","","","","","","","","","","","","","3","P 1 1 21/n","-P 2n","14","","Gd As Se","","- As Gd Se -","- As0.966 Gd1.002 Se0.995 -","- As3.864 Gd4.008 Se3.98 -","4","1","","Hulliger, F.","On the Rare-Earth Pnigochalcogenides Ln As Se","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1981","36","","463","469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222850","4.0358","","4.0363","","17.645","","90","","90","","90","","287.432","","","","","","","","","","","","","3","P 1 1 21/n","-P 2n","14","","Nd As Se","","- As Nd Se -","- As1.014 Nd Se -","- As4.056 Nd4 Se4 -","4","1","","Hulliger, F.","On the Rare-Earth Pnigochalcogenides Ln As Se","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1981","36","","463","469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9002425","5.4095","","9.4232","","8.2629","","90","","90","","90.01","","421.2","","","","","","","","","","","","","4","P 1 1 21/n","-P 2n","14","","","","- Al O4 Si Tl -","- Al O4 Si Tl -","- Al4 O16 Si4 Tl4 -","4","1","","Kyono, A.; Kimata, M.; Shimizu, M.","The crystal structure of TlAlSiO4: The role of inert pairs in exclusion of Tl from silicate minerals","American Mineralogist","2000","85","","1287","1293","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9008245","7.446","","12.461","","10.05","","90","","90","","90.11","","932.484","","","","","","","","","","","","","4","P 1 1 21/n","-P 2n","14","","","","- Ca N O9 P3 -","- Ca N O9 P3 -","- Ca4 N4 O36 P12 -","4","1","","Masse, R.; Durif, A.; Guitel, J. C.","Structure cristalline du trimetaphosphate CaNH4P3O9; Trimetaphosphates: CaKP3O9, CaCsP3O9 et CaNH4P3O9*3H2O Note: x(P2) adjusted to match reported bond lengths","Zeitschrift fur Kristallographie","1975","141","","113","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9009537","6.927","","9.836","","12.331","","90","","90","","97.81","","832.367","","","","","","","","","","","","","4","P 1 1 21/n","-P 2n","14","","","Uralborite","- B2 Ca H4 O6 -","- B2 Ca H4 O6 -","- B16 Ca8 H32 O48 -","8","2","","Simonov, M. A.; Egorov-Tismenko Y K; Belov, N. V.","Accurate crystal structure of uralborite, Ca2[B4O4(OH)8]","Doklady Akademii Nauk SSSR","1977","234","","822","825","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9011773","8.783","","15.432","","8.252","","90","","90","","90.09","","1118.47","","","","","","","","","","","","Synthetic","4","P 1 1 21/n","-P 2n","14","","","","- Al Ge Na O4 -","- Al Ge Na O4 -","- Al12 Ge12 Na12 O48 -","12","3","","Sandomirskii, P. A.; Meshalkin, S. S.; Rozhdestvenskaya, I. V.; Dem'yanets, L. N.; Uvarova, T. G.","Crystal structures of the D-phase of K(AlGeO4) and the C-phase of Na(AlGeO4) to match reported bond lengths Note: z coordinate of O8 changed from .05135 to .15135 to match reported bond lengths Note: y coordinate of O11 changed from .04154 to .05154 to match reported bond lengths","Kristallografiya","1986","31","","522","527","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011873","6.243","","9.484","","12.467","","90","","90","","112.067","","684.08","","","","","","","","","","","","Synthetic","5","P 1 1 21/n","-P 2n","14","","","Nickelboussingaultite","- H20 N2 Ni O14 S2 -","- H20 N2 Ni O14 S2 -","- H40 N4 Ni2 O28 S4 -","2","0.5","","Treushnikov, E. N.; Kuskov, V. I.; Soboleva, L. V.; Belov, N. V.","Distribution of electron density in nickel ammonium sulphate hexahydrate [Ni*6H2O](NH4)2(SO4)2 from x-ray diffraction data","Soviet Physics Crystallography","1978","23","","30","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011892","10.343","","7.294","","11.093","","90","","90","","96.917","","830.785","","","","","","","","","","","","Russia","6","P 1 1 21/n","-P 2n","14","","","Thalenite-(Y)","- Al0.15 Fe0.15 H O11 Si2.85 Y2.85 -","- Al0.15 Fe0.15 H O11 Si2.85 Y2.85 -","- Al0.6 Fe0.6 H4 O44 Si11.4 Y11.4 -","4","1","","Kornev, A. N.; Batalieva, N. G.; Maksimov, B. A.; Ilyukhin, V. V.; Belov, N. V.","Crystal structure of the talenite Y3 [Si3O10](OH)","Soviet Physics Doklady","1972","17","","88","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9013697","6.6902","","11.4497","","6.4525","","90","","90","","90.242","","494.262","","","","","","","","","","","","Joachimstal, Bohemia, Czech Republic, type sample","3","P 1 1 21/n","-P 2n","14","","","Argentopyrite","- Ag Fe2 S3 -","- Ag Fe2 S3 -","- Ag4 Fe8 S12 -","4","1","","Yang, H.; Pinch, W. W.; Downs, R. T.","Crystal structure of argentopyrite, AgFe2S3, and its relationship with cubanite Locality: Joachimstal, Bohemia, Czech Republic, type sample","American Mineralogist","2009","94","","1727","1730","10.2138/am.2009.3324","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""