# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T13:55:28+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta Crystallographica Section B') AND volume = 27 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
"1000062","4.738","0.0001","4.738","0.0001","3.1865","0.0002","90","","90","","90","","71.5","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Tin(IV) oxide","Cassiterite","- O2 Sn -","- O2 Sn -","- O4 Sn2 -","2","0.125","","Baur, W H; Khan, A A","Rutile-Type Compounds. VI. Si O2, Ge O2 and a Comparison with other Rutile-Type Structures","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2133","2139","10.1107/S0567740871005466","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001771","8.82","","12.992","","7.161","","90","","116.4","","90","","735","","","","","","","","","","","","sanidine - artificial from gel at 873 K, 1 kbar, for 7 d","4","C 1 2/m 1","-C 2y","12","Rubidium feldspar","Rubidium tecto-alumotrisilicate","","- Al O8 Rb Si3 -","- Al O8 Rb Si3 -","- Al4 O32 Rb4 Si12 -","4","0.5","","Gasperin, M","Structure cristalline de Rb Al Si3 O8","Acta Crystallographica B (24,1968-38,1982)","1971","27","","854","855","10.1107/S0567740871003078","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1200009","5.584","0.005","14.6","0.01","5.374","0.005","90","","90","","90","","438.1","","","","","","","","","","","","","4","I b m 2","I 2 -2b","46","","Calcium iron(III) aluminium oxide (2/1.5/0.5/5)","Brownmillerite","- Al Ca2 Fe O5 -","- Al Ca2 Fe O5 -","- Al4 Ca8 Fe4 O20 -","4","0.5","","Colville, A A; Geller, S","The Crystal Structure of Brownmillerite, Ca2 Fe Al O5","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2311","2315","10.1107/S056774087100579X","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2105364","12.67","","12.67","","9.332","","90","","90","","120","","1297.35","","","","","","","","","","","","","2","P 6/m","-P 6","175","","Gd Ag3.63","","- Ag3.63 Gd -","- Ag3.63 Gd -","- Ag50.82 Gd14 -","14","1.16667","","Kline, G.R.; Bailey, D.M.","The crystal structure of Gd Ag3.6","Acta Crystallographica B (24,1968-38,1982)","1971","27","","650","653","10.1107/S0567740871002711","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105410","6.151","","6.151","","6.151","","91.8","","91.8","","91.8","","232.37","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","B3 N3 Cl6","","- B3 Cl6 N3 -","- B3 Cl6 N3 -","- B3 Cl6 N3 -","1","0.166667","","Mueller, U.","Die Kristallstruktur von Hexachloroborazol","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1997","2003","10.1107/S0567740871005235","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105414","3.266","","17.177","","5.947","","90","","90","","90","","333.627","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Nb Co B","","- B Co Nb -","- B Co0.982 Nb -","- B10 Co9.82 Nb10 -","10","1.25","","Shoemaker, D.P.; Kripyakevich, P.I.; Kuz'ma, Yu.B.; Brink-Shoemaker, C.; Voroshilov, Yu.V.","The crystal structure of (Nb Co B)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","257","261","10.1107/S0567740871002061","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105425","13.714","","8.091","","8.631","","90","","90","","90","","957.696","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Zn (B4 O7)","","- B4 O7 Zn -","- B4 O7 Zn -","- B32 O56 Zn8 -","8","1","","Martinez-Carrera, S.; Martinez-Ripoll, M.; Garcia-Blanco, S.","The crystal structure of zinc diborate, Zn B4 O7","Acta Crystallographica B (24,1968-38,1982)","1971","27","","672","677","10.1107/S0567740871002759","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2106023","10.96","","7.132","","15.167","","90","","124.917","","90","","972.134","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","H (Cl O4) (H2 O)2.5","","- Cl H6 O6.5 -","- Cl H6 O6.5 -","- Cl8 H48 O52 -","8","2","","Almloef, J.; Lundgren, J.O.; Olovsson, I.","Hydrogen-bond studies. XLV. The crystal structure of H Cl O4 (H2 O)2.5","Acta Crystallographica B (24,1968-38,1982)","1971","27","","898","904","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106024","7.133","","6.085","","15.062","","90","","90","","90","","653.756","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)2 S2 O5","","- H8 N2 O5 S2 -","- H8 N2 O5 S2 -","- H32 N8 O20 S8 -","4","0.5","","Baggio, S.","The Crystal Structure of Ammonium Pyrosulphite","Acta Crystallographica B (24,1968-38,1982)","1971","27","","517","522","","","","","","","","","","","","","","","","","","","","","","has coordinates","140353","2020-10-21","18:00:00",""
"2106025","4.034","","4.034","","13.736","","90","","90","","90","","223.528","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ce2 Bi O2","","- Bi Ce2 O2 -","- Bi Ce2 O2 -","- Bi2 Ce4 O4 -","2","0.0625","","Benz, R.","Ce2 O2 Sb, Ce2 O2 Bi crystal structure","Acta Crystallographica B (24,1968-38,1982)","1971","27","","853","854","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106026","4.012","","4.012","","13.697","","90","","90","","90","","220.469","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ce2 Sb O2","","- Ce2 O2 Sb -","- Ce2 O2 Sb -","- Ce4 O4 Sb2 -","2","0.0625","","Benz, R.","Ce2 O2 Sb, Ce2 O2 Bi crystal structure","Acta Crystallographica B (24,1968-38,1982)","1971","27","","853","854","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106027","4.0705","","4.0705","","12.904","","90","","90","","90","","213.806","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ce2 O2 Te -","- Ce2 O2 Te -","- Ce4 O4 Te2 -","2","0.0625","","Benz, R.","Ce2 O2 Sb, Ce2 O2 Bi crystal structure","Acta Crystallographica B (24,1968-38,1982)","1971","27","","853","854","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106029","6.786","","10.371","","14.335","","90","","57.91","","90","","854.724","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","K4 (P O2 N H)4 (H2 O)4","","- H12 K4 N4 O12 P4 -","- H12 K4 N4 O12 P4 -","- H24 K8 N8 O24 P8 -","2","0.5","","Berking, B.; Mootz, D.","Die Kristallstrukturen von K4 (P O2 N H)4 (H2 O)4, Cs4 (P O2 N H)4 (H2 O)6 und die Konformationsisomerie des ringfoermigen Anions (P O2 N H)4(4-)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","740","747","","","","","","","","","","","","","","","","","","","","","","has coordinates","140382","2020-10-21","18:00:00",""
"2106030","9.693","","9.693","","11.306","","90","","90","","90","","1062.25","","","","","","","","","","","","","5","P 42/n m c :1","P 4n 2n -1n","137","","Cs4 (P O2 N H)4 (H2 O)6","","- Cs4 H16 N4 O14 P4 -","- Cs4 N4 O14 P4 -","- Cs8 N8 O28 P8 -","2","0.125","","Berking, B.; Mootz, D.","Die Kristallstrukturen von K4 (P O2 N H)4 (H2 O)4, Cs4 (P O2 N H)4 (H2 O)6 und die Konformationsisomerie des ringfoermigen Anions (P O2 N H)4(4-)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","740","747","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106031","22.16","","7.73","","7.08","","90","","90","","90","","1212.78","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Na2 (Zr (S O4)3) (H2 O)3","","- H6 Na2 O15 S3 Zr -","- Na2 O15 S3 Zr -","- Na8 O60 S12 Zr4 -","4","1","","Bear, I.J.; Mumme, W.G.","The Crystal Chemistry of Zirconium Sulphates. VII. The Structure of Na2 (Zr (S O4)3) (H2 O)3","Acta Crystallographica B (24,1968-38,1982)","1971","27","","494","500","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106032","4.576","","13.548","","5.785","","90","","98.68","","90","","354.537","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sn (H P O4)","","- H O4 P Sn -","- O4 P Sn -","- O16 P4 Sn4 -","4","1","","Berndt, A.F.; Lamberg, R.","The crystal structure of Sn H P O4","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1092","1094","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106033","3.4804","","3.4804","","12.4821","","90","","90","","90","","151.198","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ir (U C)2","","- C2 Ir U2 -","- C2 Ir U2 -","- C4 Ir2 U4 -","2","0.0625","","Bowman, A.L.; Arnold, G.P.; Krikorian, N.H.","The crystal structure of U2 Ir C2","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1067","1068","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106034","16.992","","28.634","","4.6556","","90","","90","","90","","2265.18","","","","","","","","","","","","","2","I m m m","-I 2 2","71","","(Mn81.5 Si18.5)1.86","","- Mn151.59 Si34.41 -","- Mn151.104 Si34.896 -","- Mn151.104 Si34.896 -","1","0.0625","","Brink-Shoemaker, C.; Shoemaker, D.P.","The Crystal Structure of the mue Phase, Mn81.5 Si18.5","Acta Crystallographica B (24,1968-38,1982)","1971","27","","227","235","","","","","","","","","","","","","","","","","","","","","","has coordinates","140457","2020-10-21","18:00:00",""
"2106036","8.2424","","8.2424","","16.412","","90","","90","","120","","965.605","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs (U6 F25)","","- Cs F25 U6 -","- Cs F25 U6 -","- Cs2 F50 U12 -","2","0.0833333","","Brunton, G.","The crystal structure of Cs U6 F25","Acta Crystallographica B (24,1968-38,1982)","1971","27","","245","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106038","4.942","","4.942","","4.164","","90","","90","","120","","88.074","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","(Tb Cu7)0.777","","- Cu5.439 Tb0.777 -","- Cu5.44 Tb0.78 -","- Cu5.44 Tb0.78 -","1","0.0416667","","Buschow, K.H.J.; van der Goot, A.S.","Composition and crystal structure of hexagonal Cu-rich rare earth-copper compunds","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1085","1088","","","","","","","","","","","","","","","","","","","","","","has coordinates","140497","2020-10-21","18:00:00",""
"2106041","5.42","","6.45","","9.31","","74.5","","80.4","","84.7","","308.847","","","","","","","","","","","","","6","P -1","-P 1","2","","Cu (O H)2 (C2 N4 H4)2 (H2 O)2 Cl2","","- C4 H8 Cl2 Cu N8 O2 -","- C4 H8 Cl2 Cu N8 O2 -","- C4 H8 Cl2 Cu N8 O2 -","1","0.5","","Chiesi, A.; Coghi, L.; Mangia, A.; Nardelli, M.; Pelizzi, G.","The Crystal and Molecular Structure of Dichlorodiaquobis(dicyanamide)copper(II)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","192","197","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106042","14.09","","6.998","","12.7","","90","","115.94","","90","","1126.08","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Na2 (H2 P2 O6) (H2 O)6","","- H14 Na2 O12 P2 -","- H14 Na2 O12 P2 -","- H56 Na8 O48 P8 -","4","0.5","","Collin, R.L.; Willis, M.","The Crystal Structure of Disodium Dihydrogen Hypophosphate Hexahydrate Na2 (H2 P2 O6) (H2 O)6 and Disodium Dihydrogen Pyrophosphate Hexahydrate Na2 (H2 P2 O7) (H2 O)6","Acta Crystallographica B (24,1968-38,1982)","1971","27","","291","302","","","","","","","","","","","","","","","","","","","","","","has coordinates","140604","2020-10-21","18:00:00",""
"2106043","14.009","","6.959","","13.455","","90","","117.69","","90","","1161.49","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Na2 (H2 P2 O7) (H2 O)6","","- H14 Na2 O13 P2 -","- H14 Na2 O13 P2 -","- H56 Na8 O52 P8 -","4","0.5","","Collin, R.L.; Willis, M.","The Crystal Structure of Disodium Dihydrogen Hypophosphate Hexahydrate Na2 (H2 P2 O6) (H2 O)6 and Disodium Dihydrogen Pyrophosphate Hexahydrate Na2 (H2 P2 O7) (H2 O)6","Acta Crystallographica B (24,1968-38,1982)","1971","27","","291","302","","","","","","","","","","","","","","","","","","","","","","has coordinates","140606","2020-10-21","18:00:00",""
"2106044","9.782","","6.738","","10.799","","90","","106.01","","90","","684.167","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ca3 (Si O4) Cl2","","- Ca3 Cl2 O4 Si -","- Ca3 Cl2 O4 Si -","- Ca12 Cl8 O16 Si4 -","4","1","","Czaya, R.; Bissert, G.","Die Kristallstruktur von Tricalciummonosilikatdichlorid, Ca2 Si O4 Ca Cl2","Acta Crystallographica B (24,1968-38,1982)","1971","27","","747","752","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106045","9.863","","7.791","","7.833","","90","","90","","90","","601.908","","","","","","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- Fe Si2 -","- Fe Si2 -","- Fe16 Si32 -","16","","","Dusausoy, Y.; Protas, J.","Structure cristalline du disilicure de fer, Fe Si2 beta","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1209","1218","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106046","6.671","","6.671","","12.288","","90","","90","","120","","473.58","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","","","- Ni31 Si12 -","- Ni31 Si12 -","- Ni31 Si12 -","1","0.166667","","Frank, K.; Schubert, K.","Kristallstruktur von Ni31 Si12","Acta Crystallographica B (24,1968-38,1982)","1971","27","","916","920","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106047","13.64","","18.24","","11.27","","90","","128","","90","","2209.51","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Na1.76 Ca4 (Al10.29 Si25.71 O72) (H2 O)29.4","","- Al10.29 Ca4 H58.8 Na1.76 O101.4 Si25.71 -","- Al10.29 Ca4 Na1.76 O101.4 Si25.71 -","- Al10.29 Ca4 Na1.76 O101.4 Si25.71 -","1","0.125","","Galli, E.","Refinement of the crystal structure of stilbite","Acta Crystallographica B (24,1968-38,1982)","1971","27","","833","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106048","15.38","","3.61","","7.37","","90","","102","","90","","400.254","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Cu1.82 V4 O11","","- Cu1.82 O11 V4 -","- Cu1.82 O11 V4 -","- Cu3.64 O22 V8 -","2","0.5","","Galy, J.; Lavaud, D.","Structure cristalline du Bronze de Vanadium Cu1.82 V4 O11","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1005","1009","","","","","","","","","","","","","","","","","","","","","","has coordinates","140764","2020-10-21","18:00:00",""
"2106050","10.483","","10.483","","6.381","","90","","90","","90","","701.229","","","","","","","","","","","","","3","P 42/n m c :2","-P 4ac 2a","137","","(As C F3)4","","- C4 As4 F12 -","- C4 As4 F12 -","- C8 As8 F24 -","2","0.125","","Mandel, N.; Donohue, J.","The Molecular and Crystal Structure of Trifluoromethylarsenic Tetramer (As C F3)4","Acta Crystallographica B (24,1968-38,1982)","1971","27","","476","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","141029","2020-10-21","18:00:00",""
"2106051","10.956","","10.956","","10.956","","90","","90","","90","","1315.09","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","Ti (Te3 O8)","","- O8 Te3 Ti -","- O8 Te3 Ti -","- O64 Te24 Ti8 -","8","0.166667","","Meunier, G.; Galy, J.","Sur une deformation inedite du reseau de type fluorine. Structure cristalline des phases M Te3 O8 (M = Ti, Sn, Hf, Zr)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","602","608","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106052","11.144","","11.144","","11.144","","90","","90","","90","","1383.96","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","Sn (Te3 O8)","","- O8 Sn Te3 -","- O8 Sn Te3 -","- O64 Sn8 Te24 -","8","0.166667","","Meunier, G.; Galy, J.","Sur une deformation inedite du reseau de type fluorine. structure cristalline des phases M Te3 O8 (M = Ti, Sn, Hf, Zr)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","602","608","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106053","11.291","","11.291","","11.291","","90","","90","","90","","1439.45","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","Hf Te3 O8","","- Hf O8 Te3 -","- Hf O8 Te3 -","- Hf8 O64 Te24 -","8","0.166667","","Meunier, G.; Galy, J.","Sur une deformation inedite du reseau de type fluorine. structure cristalline des phases M Te3 O8 (M = Ti, Sn, Hf, Zr)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","602","608","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106054","7.4","","13.96","","12.79","","90","","96.6","","90","","1312.5","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","K2 (Zr (S O4)3) (H2 O)2","","- H4 K2 O14 S3 Zr -","- H4 K2 O14 S3 Zr -","- H16 K8 O56 S12 Zr4 -","4","1","","Mumme, W.G.","The crystal chemistry of zirconium sulphates. IX. The structure of K2 (Zr (S O4)3) (H2 O)2","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1373","1378","","","","","","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2106055","5.941","","21.57","","7.53","","90","","103.967","","90","","936.421","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Na2 S2 O3 (H2 O)5","","- H10 Na2 O8 S2 -","- H10 Na2 O8 S2 -","- H40 Na8 O32 S8 -","4","1","","Padmanabhan, V.M.; Yadava, V.S.; Navarro, Q.O.; Garcia, A.; Karsono, L.; Suh, I.-H.; Chien, L.S.","Neutron Diffraction Study of Sodium Thiosulphate Pentahydrate, Na2 S2 O3 (H2 O)5","Acta Crystallographica B (24,1968-38,1982)","1971","27","","253","257","","","","","","","","","","","","","","","","","","","","","","has coordinates","141091","2020-10-21","18:00:00",""
"2106056","3.842","","3.842","","3.842","","90","","90","","90","","56.712","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Mo O2.4 F0.6","","- F0.6 Mo O2.4 -","- F0.6 Mo O2.4 -","- F0.6 Mo O2.4 -","1","0.0208333","","Pierce, J.W.; Vlasse, M.","The crystal structures of two oxyfluorides of molybdenum","Acta Crystallographica B (24,1968-38,1982)","1971","27","","158","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106057","3.878","","13.96","","3.732","","90","","90","","90","","202.039","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Mo4 O11.2 F0.8","","- F0.8 Mo4 O11.2 -","- F0.8004 Mo4 O11.1996 -","- F0.8004 Mo4 O11.1996 -","1","0.0625","","Pierce, J.W.; Vlasse, M.","The crystal structures of two oxyfluorides of molybdenum","Acta Crystallographica B (24,1968-38,1982)","1971","27","","158","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","141100","2020-10-21","18:00:00",""
"2106060","6.136","","47.4","","3.84","","90","","90","","90","","1116.85","","","","","","","","","","","","","3","C 2 m m","C -2 2","38","","W4 Ta22 O67","","- O67 Ta22 W4 -","- O67.0002 Ta22.0012 W3.9988 -","- O67.0002 Ta22.0012 W3.9988 -","1","0.125","","Stephenson, N.C.; Roth, R.S.","Structural Systematics in the Binary System Ta2 O5 W O3. I. The Structure of Ta22 W4 O67","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1010","1017","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2106061","6.172","","29.226","","3.85","","90","","90","","90","","694.474","","","","","","","","","","","","","3","C 2 m m","C -2 2","38","","(W2 Ta30 O81)0.5","","- O40.5 Ta15 W -","- O40.5024 Ta15.0016 W1.0016 -","- O40.5024 Ta15.0016 W1.0016 -","1","0.125","","Stephenson, N.C.; Roth, R.S.","Structural Systematics in the Binary System Ta2 O5 W O3. II. The Structure of Ta30 W2 O81","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1018","1024","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106062","29.2","","6.182","","3.876","","90","","90","","90","","699.674","","","","","","","","","","","","","4","P 1 2 1","P 2y","3","","(Al0.333 W0.667) Ta15 O40","","- Al0.333 O40 Ta15 W0.667 -","- Al0.3328 O40 Ta15 W0.6672 -","- Al0.3328 O40 Ta15 W0.6672 -","1","0.5","","Stephenson, N.C.; Roth, R.S.","Structural systematics in the binary system Ta2 O5 W O3. III. The structure of (Ta2 O5)45 (Al2 O3) (W O3)4","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1025","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","141131","2020-10-21","18:00:00",""
"2106063","6.188","","69.57","","3.88","","90","","90","","90","","1670.34","","","","","","","","","","","","","3","C 2 m m","C -2 2","38","","W Ta37 O95.487","","- O95.487 Ta37 W -","- O95.5 Ta37.0006 W0.9994 -","- O95.5 Ta37.0006 W0.9994 -","1","0.125","","Stephenson, N.C.; Roth, R.S.","Structural Systematics in the Binary System Ta2 O5 W O3. IV. The Structure of Ta38 W 98","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1031","1036","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106064","6.198","","40.29","","3.888","","90","","90","","90","","970.901","","","","","","","","","","","","","2","P 2 m m","P -2 2","25","","Ta2 O5","","- O5 Ta2 -","- O5 Ta2 -","- O55 Ta22 -","11","2.75","","Stephenson, N.C.; Roth, R.S.","Structural systematics in the binary system Ta2 O5 W O3. V. The structure of the low-temperature form of tantalum oxide L-Ta2 O5","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1037","1044","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2106065","3.265","","9.18","","8.316","","90","","101.05","","90","","244.632","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Li3 B O3","","- B Li3 O3 -","- B Li3 O3 -","- B4 Li12 O12 -","4","1","","Stewner, F.","Die Kristallstruktur von alpha-Li3 B O3","Acta Crystallographica B (24,1968-38,1982)","1971","27","","904","910","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106066","9.87","","8.27","","9.83","","139.9","","94.8","","93.8","","504.294","","","","","","","","","","","","","3","P 1","P 1","1","","Al Se Cl7","","- Al Cl7 Se -","- Al Cl7 Se -","- Al2 Cl14 Se2 -","2","2","","Stork-Blaisse, B.A.; Romers, C.","The Crystal Structure of Al Se Cl7","Acta Crystallographica B (24,1968-38,1982)","1971","27","","386","392","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106067","4.242","","10.302","","6.868","","90","","90","","90","","300.139","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","(U O2) (O H)2","","- H2 O4 U -","- O4 U -","- O16 U4 -","4","","","Taylor, J.C.","The structure of the alpha form of uranyl hydroxide","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1088","1091","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106068","12.94","","4.54","","5.92","","90","","90","","90","","347.786","","","","","","","","","","","","","3","B b m m","-B 2 2b","63","","K (P O3)","","- K O3 P -","- K O3 P -","- K4 O12 P4 -","4","0.25","","Jost, K.H.; Schulze, H.J.","Mechanismen der Phasentransformation des K (P O3) und die Struktur der Hoechsttemperatur Modifikation des K (P O3)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1345","1353","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106069","7.749","","6.736","","11.912","","90","","130.69","","90","","471.459","","","","","","","","","","","","","4","A 1 2/n 1","-A 2yab","15","","(C O)3 (N H)3","","- C3 H3 N3 O3 -","- C3 H3 N3 O3 -","- C12 H12 N12 O12 -","4","0.5","","Verschoor, G.C.; Keulen, E.","Electron density distribution in cyanuric acid. I. An x-ray diffraction study at low temperature","Acta Crystallographica B (24,1968-38,1982)","1971","27","","134","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2106071","8.13","","12.16","","5.42","","90","","101.5","","90","","525.069","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","N2 H6 Zr F6","","- F6 H6 N2 Zr -","- F6 N2 Zr -","- F24 N8 Zr4 -","4","0.5","","Kojic-Prodic, B.; Scavnicar, S.; Matkovic, B.","The Crystal Structure of Hydrazinium(2+) Hexafluorozirconate(IV), N2 H6 Zr F6","Acta Crystallographica B (24,1968-38,1982)","1971","27","","638","644","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106072","8.34","","8.34","","8.34","","90","","90","","90","","580.094","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mn (Cr Co) O4","","- Co Cr Mn O4 -","- Co Cr Mn O4 -","- Co8 Cr8 Mn8 O32 -","8","0.0416667","","Kulkarni, D.K.; Mande, C.","X-ray Study of the Structural and Ionic Configuration of the Co Mn Cr O4 Spinel","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1044","1047","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106138","5.03","","5.03","","4.09","","90","","90","","120","","89.617","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Cu5 Tb -","- Cu5 Tb -","- Cu5 Tb -","1","0.0416667","","Buschow, K.H.J.; van der Goot, A.S.","Composition and crystal structure of hexagonal Cu-rich rare earth-copper compounds","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1085","1088","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106139","5.005","","5.005","","4.097","","90","","90","","120","","88.88","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Cu5 Y -","- Cu5 Y -","- Cu5 Y -","1","0.0416667","","Buschow, K.H.J.; van der Goot, A.S.","Compositon abd crystal structure of hexagonal Cu-rich rare earth-copper compounds","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1085","1088","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106174","7.37","","8.26","","3.19","","90","","110.3","","90","","182.133","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Li (O H) (H2 O)","","- H3 Li O2 -","- H3 Li O2 -","- H12 Li4 O8 -","4","0.5","","Alcock, N.W.","Refinement of the crystal structure of lithium hydroxide monohydrate","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1682","1683","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106175","19.07","","24.42","","10.915","","90","","90","","90","","5083","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(N H4)10 (H2 W12 O42) (H2 O)10","","- H62 N10 O52 W12 -","- N10 O52 W12 -","- N40 O208 W48 -","4","0.5","","Allmann, R.","Die Struktur des Ammoniumparawolframates (N H4)10 (H2 W12 O42) (H2 O)10","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1393","1404","","","","","","","","","","","","","","","","","","","","","","has coordinates","146579","2020-10-21","18:00:00",""
"2106176","6.692","","11.04","","7.841","","90","","127.88","","90","","457.233","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(K (H2 P O3)) (H F)","","- F H3 K O3 P -","- F H3 K O3 P -","- F4 H12 K4 O12 P4 -","4","1","","Altenburg, H.; Mootz, D.","Die Wasserstoffbruecke vom Tyo F-H O. Die Kristallstruktur von K P H O2 (O H) (H F)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1982","1986","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106177","7.694","","11.916","","5.817","","102.3","","102.4","","105.9","","479.504","","","","","","","","","","","","","4","P -1","-P 1","2","","(Ni (H2 O)6) (N O3)2","","- H12 N2 Ni O12 -","- H12 N2 Ni O12 -","- H24 N4 Ni2 O24 -","2","1","","Bigoli, F.; Tiripicchio Camellini, M.; Tiripicchio, A.; Braibanti, A.","The crystal structures of nitrates of divalent hexaquocations. III. Hexaquonickel nitrate","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1427","1434","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106178","6.87","","5.08","","9.1","","90","","111.2","","90","","296.093","","","","","","","","","","","","","5","P 1 c 1","P -2yc","7","","Zn ((N2 H3) (C O2))2","","- C2 H6 N4 O4 Zn -","- C2 H6 N4 O4 Zn -","- C4 H12 N8 O8 Zn2 -","2","1","","Bigoli, F.; Braibanti, A.; Tiripicchio, A.; Tiripicchio Camellini, M.","Structures of Chelates of Hydrazinecaboxylic Acid. Bis(hydrazinecarboxylato-N,O)-zinc","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2453","2457","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106180","9.59","","9.426","","9.29","","90","","127.8","","90","","663.551","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ca ((N2 H3) (C O2))2","","- C2 H6 Ca N4 O4 -","- C2 H6 Ca N4 O4 -","- C8 H24 Ca4 N16 O16 -","4","1","","Braibanti, A.; Lanfredi, A.M.M.; Pellinghelli, M.A.; Tiripicchio, A.","Crystal and molecular structure of anhydrous calcium hydrazinecarboxylate","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2448","2452","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106182","15.293","","15.293","","10.449","","90","","90","","120","","2116.37","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","K7 (Th6 F31)","","- F31 K7 Th6 -","- F31 K7 Th6 -","- F93 K21 Th18 -","3","0.166667","","Brunton, G.","The crystal structure of K7 Th6 F31","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2290","2292","","","","","","","","","","","","","","","","","","","","","","has coordinates","146767","2020-10-21","18:00:00",""
"2106188","8.195","","8.195","","8.195","","90","","90","","90","","550.36","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","Co As3","","- As3 Co -","- As3 Co -","- As24 Co8 -","8","0.166667","","Mandel, N.; Donohue, J.","The refinement of the crystal structure of skutterudite, Co As3","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2288","2289","","","","","","","","","","","","","","","","","","","","","","has coordinates","214433","2020-10-21","18:00:00",""
"2106190","10.759","","10.759","","5.656","","90","","90","","90","","654.716","","","","","","","","","","","","","1","P 42 n m","P 4n -2n","102","","","","- U -","- U -","- U30 -","30","3.75","","Donohue, J.; Einspahr, H.","The structure of beta-uranium","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1740","1743","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106192","8.95","","8.95","","8.902","","90","","90","","120","","617.539","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","(U Zn10.4)3.4","","- U3.4 Zn35.36 -","- U3.38 Zn35.24 -","- U3.38 Zn35.24 -","1","0.0416667","","Mason, J.T.; Chiotti, P.","The Crystal Structure of U Zn12","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1789","1792","","","","","","","","","","","","","","","","","","","","","","has coordinates","147035","2020-10-21","18:00:00",""
"2106197","6.8673","","6.8673","","17.062","","90","","90","","120","","696.839","","","","","","","","","","","","","2","P 31","P 31","144","","","","- Fe7 S8 -","- Fe7 S8 -","- Fe21 S24 -","3","1","","Fleet, M.E.","The crystal structure of a pyrrhotite, (Fe7 S8)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1864","1867","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106198","6.557","","11.634","","9.464","","90","","90","","90","","721.953","","","","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","(H3 O)2 (H2 P2 O6)","","- H8 O8 P2 -","- H8 O8 P2 -","- H32 O32 P8 -","4","0.5","","Mootz, D.; Altenburg, H.","Kristallstrukturen von Saeurehydraten und Oxoniumsalzen. VI. Dioxonium-dihydrogenhypophosphat, (H3 O)2 (H2 P2 O6)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1520","1523","","","","","","","","","","","","","","","","","","","","","","has coordinates","147137","2020-10-21","18:00:00",""
"2106199","3.88","","3.88","","4.12","","90","","90","","90","","62.024","","","","","","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","","","- Cs I -","- Cs I -","- Cs2 I2 -","2","0.125","","Morlin, Z.","Phase transformation of thin cesium iodide layers at low temperatures","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2493","2494","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106200","6.93","","11.86","","3.86","","90","","90","","90","","317.253","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Na2 (Mn Cl4)","","- Cl4 Mn Na2 -","- Cl4 Mn Na2 -","- Cl8 Mn2 Na4 -","2","0.25","","Goodyear, J.; Ali, S.A.D.; Steigmann, G.A.","The crystal structure of Na2 Mn Cl4","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1672","1674","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106202","9.185","","9.326","","5.749","","90","","90","","90","","492.455","","","","","","","","","","","","","3","P n 21 a","P -2ac -2n","33","","P O Cl3","","- Cl3 O P -","- Cl3 O P -","- Cl12 O4 P4 -","4","1","","Olie, K.","The crystal structure of P O Cl3","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1459","1460","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106203","4.24","","4.24","","47.845","","90","","90","","120","","744.902","","","","","","","","","","","","","2","P 3 m 1","P 3 -2""","156","","","","- Cd I2 -","- Cd I2 -","- Cd7 I14 -","7","1.16667","","Gulzari, L.; Chadha, G.K.; Trigunayat, G.C.","Crystal structures of six new polytypes of cadmium iodide","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2293","2298","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106204","4.24","","4.24","","54.68","","90","","90","","120","","851.316","","","","","","","","","","","","","2","P 3 m 1","P 3 -2""","156","","","","- Cd I2 -","- Cd I2 -","- Cd8 I16 -","8","1.33333","","Gulzari, L.; Chadha, G.K.; Trigunayat, G.C.","Crystal structures of six new polytypes of cadmium iodide","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2293","2298","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106205","4.24","","4.24","","68.35","","90","","90","","120","","1064.15","","","","","","","","","","","","","2","P 3 m 1","P 3 -2""","156","","","","- Cd I2 -","- Cd I2 -","- Cd10 I20 -","10","1.66667","","Gulzari, L.; Chadha, G.K.; Trigunayat, G.C.","Crystal structures of six new polytypes of cadmium iodide","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2293","2298","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106206","8.171","","12.815","","14.035","","90","","90","","90","","1469.62","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","S6 (N H)2","","- H2 N2 S6 -","- H2 N2 S6 -","- H16 N16 S48 -","8","1","","Postma, H.J.; van Bolhuis, F.; Vos, A.","The molecular and crystal structure of cyclohexasulphur-1,3-diimide, S6 (N H)2 isomer III","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2480","2486","","","","","","","","","","","","","","","","","","","","","","has coordinates","147419","2020-10-21","18:00:00",""
"2106208","9.43","","4.063","","18.378","","90","","109.34","","90","","664.402","","","","","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- In6 Se7 -","- In6 Se7 -","- In12 Se14 -","2","1","","Hogg, J.H.C.","The crystal structure of In6 Se7","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1630","1634","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106211","11.064","","12.104","","7.134","","90","","95.704","","90","","950.645","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(N H4)3 Ce F7 (H2 O)","","- Ce F7 H14 N3 O -","- Ce F7 H14 N3 O -","- Ce4 F28 H56 N12 O4 -","4","1","","Ryan, R.R.; Penneman, R.A.","The Crystal Structure of Ammonium Heptafluorocerate(IV) Monohydrate, Hydrogen Bonding to the Dimer Ce2 F14(6-)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1939","1943","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106213","11.034","","17.569","","5.024","","90","","90","","90","","973.934","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Cu3.85 Mo3 O12 -","- Cu3.85 Mo3 O12 -","- Cu15.4 Mo12 O48 -","4","1","","Katz, L.; Kasenally, A.; Kihlborg, L.","The Crystal Structure of the Reduced Copper Molybdate, Cu4-x Mo3 O12 (x=.15)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2071","2077","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106214","7.659","","14.613","","6.875","","90","","90","","90","","769.457","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Cu3 Mo2 O9 -","- Cu3 Mo2 O9 -","- Cu12 Mo8 O36 -","4","1","","Kihlborg, L.; Norrestam, R.; Olivecrona, B.","The crystal structure of Cu3 Mo2 O9","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2066","2070","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106215","5.6438","","6.2867","","9.9372","","90","","90","","90","","352.581","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(U O2) (O H)2","","- H2 O4 U -","- H2 O4 U -","- H8 O16 U4 -","4","0.5","","Taylor, J.C.; Hurst, H.J.","The hydrogen atom locations in the alpha and beta forms of uranyl hydroxide","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2018","2022","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106216","9.467","","9.938","","6.192","","90","","90","","90","","582.562","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","P O Br3","","- Br3 O P -","- Br3 O P -","- Br12 O4 P4 -","4","0.5","","Templeton, L.K.; Templeton, D.H.","The crystal structure of P O Br3. Space group and refinement by least squares","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1678","1679","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106217","15.482","","15.482","","15.482","","90","","90","","90","","3710.92","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","Y Cd6","","- Cd6 Y -","- Cd5.99767 Y -","- Cd143.944 Y24 -","24","0.5","","Larson, A.C.; Cromer, D.T.","The crystal structure of Y Cd6","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1875","1879","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106222","11.81","","9.054","","8.911","","118.88","","109.89","","89.42","","770.683","","","","","","","","","","","","","5","P -1","-P 1","2","","Cs3 Cu2 Cl7 (H2 O)2","","- Cl7 Cs3 Cu2 H4 O2 -","- Cl7 Cs3 Cu2 H4 O2 -","- Cl14 Cs6 Cu4 H8 O4 -","2","1","","Vogt, W.; Haas, H.","Kristallstruktur und Kernmagnetische Resonanz von Cs3 Cu2 Cl7 (H2 O)2","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1528","1532","","","","","","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2106223","11.43","","5.96","","6.34","","90","","102.1","","90","","422.303","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Na2 Si O3 (H2 O)6","","- H12 Na2 O9 Si -","- H12 Na2 O9 Si -","- H24 Na4 O18 Si2 -","2","1","","Williams, P.P.; Dent Glasser, L.S.","Sodium Silicate Hydrates. IV. Location of Hydrogen Atoms in (Na2 O) (Si O2) (H2 O)6 by Neutron Diffraction","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2269","2275","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106224","12.273","","13.646","","12.777","","90","","90","","90","","2139.86","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Cu3 (C N)4 (N H3)3","","- C4 H9 Cu3 N7 -","- C4 Cu3 N7.01 -","- C32 Cu24 N56.08 -","8","","","Williams, R.J.; Cromer, D.T.; Larson, A.C.","The Crystal Structure of a Mixed Valence Copper Cyanide Complex, Cu3 (N H3)3 (C N)4","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1701","1706","","","","","","","","","","","","","","","","","","","","","","has coordinates","148229","2020-10-21","18:00:00",""
"2106365","10.404","","10.404","","10.404","","90","","90","","90","","1126.16","","","","","","","","","","","","","4","I a -3","-I 2b 2c 3","206","","(N2 H6) (Ti F6)","","- F6 H6 N2 Ti -","- F6 N2 Ti -","- F48 N16 Ti8 -","8","0.166667","","Kojic-Prodic, B.; Matkovic, B.; Scavnicar, S.","The crystal structure of hydrazinium(+2) hexafluorotitanate(IV), N2 H6 Ti F6","Acta Crystallographica B (24,1968-38,1982)","1971","27","","635","637","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106414","13.944","","7.928","","7.041","","90","","90","","90","","778.369","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)3 Th F7","","- F7 H12 N3 Th -","- F7 N3 Th -","- F28 N12 Th4 -","4","0.5","","Penneman, R.A.; Ryan, R.R.; Kressin, I.K.","The Crystal Structure of Ammonium Heptafluorothorate, Ammonium Catena-di-mue-fluoro-pentafluorothorate(IV)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2279","2283","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106427","7.848","","12.84","","10.785","","90","","90","","90","","1086.79","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","K5 Th F9","","- F9 K5 Th -","- F9 K5 Th -","- F36 K20 Th4 -","4","0.5","","Ryan, R.R.; Penneman, R.A.","The Crystal Structure of Potassium Enneafluorothorate","Acta Crystallographica B (24,1968-38,1982)","1971","27","","829","833","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106473","14.919","","14.919","","7.609","","90","","90","","90","","1693.58","","","","","","","","","","","","","3","I 4","I 4","79","","Ba (Fe F5)","","- Ba F5 Fe -","- Ba F5 Fe -","- Ba16 F80 Fe16 -","16","2","","von der Muehll, R.; Andersson, S.; Galy, J.","Sur quelques fluometallates alcalino-terreux. I. Structure cristalline de Ba Fe F5 et Sr Al F5","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2345","2353","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106474","14.089","","14.089","","7.617","","90","","90","","90","","1511.97","","","","","","","","","","","","","3","I 4","I 4","79","","Sr (Al F5)","","- Al F5 Sr -","- Al F5 Sr -","- Al16 F80 Sr16 -","16","2","","von der Muehll, R.; Andersson, S.; Galy, J.","Sur quelques fluometallates alcalino-terreux. I. Structure cristalline de Ba Fe F5 et Sr Al F5","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2345","2353","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106787","8.649","","8.176","","7.4453","","90","","90","","90","","526.489","","","","","","","","","","","","","3","P 21 m a","P -2a 2a","26","","Rb Th3 F13","","- F13 Rb Th3 -","- F13 Rb Th3 -","- F26 Rb2 Th6 -","2","0.5","","Brunton, G.","The Crystal Structure of Rb Th3 F13","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1823","1826","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106788","11.52","","11.222","","7.868","","90","","98.3","","90","","1006.5","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Rb5 Zr4 F21","","- F21 Rb5 Zr4 -","- F21 Rb5 Zr4 -","- F42 Rb10 Zr8 -","2","1","","Brunton, G.","The Crystal Structure of Rb5 Zr4 F21","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1944","1948","","","","","","","","","","","","","","","","","","","","","","has coordinates","158752","2020-10-21","18:00:00",""
"2107066","3.875","","3.875","","27.39","","90","","90","","120","","356.177","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Th3 N4","","- N4 Th3 -","- N4 Th3 -","- N12 Th9 -","3","0.0833333","","Bowman, A.L.; Arnold, G.P.","The crystal structure of Th3 N4","Acta Crystallographica B (24,1968-38,1982)","1971","27","","243","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","166240","2020-10-21","18:00:00",""
"5000140","11.02","0.004","6.795","0.001","14.964","0.004","90","","124.15","0.02","90","","927.31","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H2 Cl N3 O6 -","- C6 H2 Cl N3 O6 -","- C24 H8 Cl4 N12 O24 -","4","1","","Willis, J. S.; Stewart, J. M.; Ammon, H. L.; Preston, H. S.; Gluyas, R. E.; Harris, P. M.","The crystal structure of picryl chloride","Acta Crystallographica Section B","1971","27","4","786","793","10.1107/S0567740871002929","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9007518","5.9745","","15.434","","6.2797","","90","","114.83","","90","","525.525","","","","","","","","","","","","Andreasberg, Harz Mts, Lower Saxony, Germany","4","I 1 a 1","I -2ya","9","","","Pharmacolite","- As Ca H5 O6 -","- As Ca H5 O6 -","- As4 Ca4 H20 O24 -","4","1","","Ferraris, G.; Jones, D. W.; Yerkess, J.","Determination of hydrogen atom positions in the crystal structure of pharmacolite, CaHAsO4(H2O)2, by neutron diffraction","Acta Crystallographica, Section B","1971","27","","349","354","10.1107/S0567740871002206","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007519","18.331","","9.012","","5.949","","90","","90","","90","","982.769","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","Ylid","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","","Christensen, A. T.; Thom, E.","The crystal structure of 2-dimenthylsulfuranylidene-1,3-indanedione","Acta Crystallographica, Section B","1971","27","","581","586","10.1107/S0567740871002590","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007520","9.4157","","9.4233","","9.4047","","90","","90","","90","","834.45","","","","","","","","","","","","","2","P c a b","-P 2bc 2ac","61","","","","- Mn2 O3 -","- Mn2 O3 -","- Mn32 O48 -","16","2","","Geller, S.","Structures of alpha-Mn203, (MnO.983Fe0.017)203 and (Mn0.37Fe0.63)2O3 and relation to magnetic ordering","Acta Crystallographica, Section B","1971","27","","821","828","10.1107/S0567740871002966","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007521","9.4146","","9.4146","","9.4146","","90","","90","","90","","834.46","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","Bixbyite","- Fe0.034 Mn1.966 O3 -","- Fe0.034 Mn1.966 O3 -","- Fe0.544 Mn31.456 O48 -","16","0.333333","","Geller, S.","Structures of alpha-Mn203, (MnO.983Fe0.017)203 and (Mn0.37Fe0.63)2O3 and relation to magnetic ordering Sample: (MnO.983Fe0.017)203","Acta Crystallographica, Section B","1971","27","","821","828","10.1107/S0567740871002966","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007522","9.4126","","9.4126","","9.4126","","90","","90","","90","","833.928","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","Bixbyite","- Fe1.26 Mn0.74 O3 -","- Fe1.26 Mn0.74 O3 -","- Fe20.16 Mn11.84 O48 -","16","0.333333","","Geller, S.","Structures of alpha-Mn203, (MnO.983Fe0.017)203 and (Mn0.37Fe0.63)2O3 and relation to magnetic ordering Sample: (Mn0.37Fe0.63)2O3","Acta Crystallographica, Section B","1971","27","","821","828","10.1107/S0567740871002966","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007523","11.526","","11.526","","13.589","","90","","90","","120","","1563.42","","","","","","","","","","","","Synthetic","4","R 3 c :H","R 3 -2""c","161","","","Acetamide","- C2 H5 N O -","- C2 H5 N O -","- C36 H90 N18 O18 -","18","1","","Denne, W. A.; Small, R. W. H.","A refinement of the structure of rhombohedral acetamide","Acta Crystallographica, Section B","1971","27","","1094","1098","10.1107/S0567740871003583","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007524","11.608","","4.0279","","11.275","","90","","90","","90","","527.172","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","Aikinite","- Bi Cu Pb S3 -","- Bi Cu Pb S3 -","- Bi4 Cu4 Pb4 S12 -","4","0.5","","Kohatsu, I.; Wuensch, B. J.","The crystal structure of aikinite, PbCuBiS3 Note: B(3,3) altered for Pb and Cu, in order to reproduce Biso","Acta Crystallographica, Section B","1971","27","","1245","1252","10.1107/S0567740871003819","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007525","7.437","","5.664","","18.843","","90","","101.38","","90","","778.122","","","","","","","","","","","","Kangerdluarsuk, Greenland","12","P 1 21/c 1","-P 2ybc","14","","","Rinkite","- Al0.089 Ca3.368 Ce1.048 F3 Fe0.212 K0.064 Na2.178 Nb0.327 O15 Si4 Ti0.515 Zr0.069 -","- Al0.089 Ca3.368 Ce1.048 F3 Fe0.212 K0.064 Na2.178 Nb0.327 O15 Si4 Ti0.515 Zr0.069 -","- Al0.178 Ca6.736 Ce2.096 F6 Fe0.424 K0.128 Na4.356 Nb0.654 O30 Si8 Ti1.03 Zr0.138 -","2","0.5","","Galli, E.; Alberti, A.","The crystal structure of rinkite","Acta Crystallographica, Section B","1971","27","","1277","1284","10.1107/S056774087100387X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007526","7.0069","","7.0069","","6.4637","","90","","90","","90","","317.346","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","Willemite","- O4 Si Zn2 -","- O4 Si Zn2 -","- O16 Si4 Zn8 -","4","0.25","","Marumo, F.; Syono, Y.","The crystal structure of Zn2SiO4-II, a high-pressure phase of willemite","Acta Crystallographica, Section B","1971","27","","1868","1870","10.1107/S0567740871005004","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007527","11.89","","11.89","","12.671","","90","","90","","120","","1551.33","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- H15.479 Na6.335 O32.335 P2 -","- H48 Na6.335 O32.335 P2 -","- H96 Na12.67 O64.67 P4 -","2","0.166667","","Tillmanns, E.; Baur, W. H.","On the crystal chemistry of salt hydrates. VII. The crystal structures of pseudo trisodium orthoarsenate dodecahydrate and the isomorphous phosphate and vanadate salts","Acta Crystallographica, Section B","1971","27","","2124","2132","10.1107/S0567740871005454","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9007528","12.038","","12.038","","12.833","","90","","90","","120","","1610.53","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- H15.454 Na6.31 O32.31 V2 -","- H48 Na6.31 O32.31 V2 -","- H96 Na12.62 O64.62 V4 -","2","0.166667","","Tillmanns, E.; Baur, W. H.","On the crystal chemistry of salt hydrates. VII. The crystal structures of pseudo trisodium orthoarsenate dodecahydrate and the isomorphous phosphate and vanadate salts","Acta Crystallographica, Section B","1971","27","","2124","2132","10.1107/S0567740871005454","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9007529","12.017","","12.017","","12.783","","90","","90","","120","","1598.66","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- As2 H15.404 Na6.26 O32.26 -","- As2 H48 Na6.26 O32.26 -","- As4 H96 Na12.52 O64.52 -","2","0.166667","","Tillmanns, E.; Baur, W. H.","On the crystal chemistry of salt hydrates. VII. The crystal structures of pseudo trisodium orthoarsenate dodecahydrate and the isomorphous phosphate and vanadate salts","Acta Crystallographica, Section B","1971","27","","2124","2132","10.1107/S0567740871005454","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9007530","4.179","","4.179","","2.6649","","90","","90","","90","","46.54","","","","","","","","","","","","Meteor Crater, Arizona, USA","2","P 42/m n m","-P 4n 2n","136","","","Stishovite","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007531","4.5941","","4.5941","","2.9589","","90","","90","","90","","62.45","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","Rutile","- O2 Ti -","- O2 Ti -","- O4 Ti2 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007532","4.3975","","4.3975","","2.8625","","90","","90","","90","","55.355","","","","","","","","","","","","Synthetic","2","P 42/m n m","-P 4n 2n","136","","","Argutite","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007533","4.738","","4.738","","3.1865","","90","","90","","90","","71.533","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","Cassiterite","- O2 Sn -","- O2 Sn -","- O4 Sn2 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007534","4.6213","","4.6213","","3.0159","","90","","90","","90","","64.409","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","Sellaite","- F2 Mg -","- F2 Mg -","- F4 Mg2 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007535","4.8738","","4.8738","","3.3107","","90","","90","","90","","78.642","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- F2 Mn -","- F2 Mn -","- F4 Mn2 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007536","4.6945","","4.6945","","3.3097","","90","","90","","90","","72.94","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- F2 Fe -","- F2 Fe -","- F4 Fe2 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007537","4.6954","","4.6954","","3.1774","","90","","90","","90","","70.051","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Co F2 -","- Co F2 -","- Co2 F4 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007538","4.6498","","4.6498","","3.0838","","90","","90","","90","","66.674","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- F2 Ni -","- F2 Ni -","- F4 Ni2 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007539","4.7048","","4.7048","","3.1338","","90","","90","","90","","69.367","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- F2 Zn -","- F2 Zn -","- F4 Zn2 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007540","4.421","","4.421","","2.917","","90","","90","","90","","57.013","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Cr O2 -","- Cr O2 -","- Cr2 O4 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Note: data from Cloud et al (1962)","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007541","4.4919","","4.4919","","3.1066","","90","","90","","90","","62.682","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- O2 Ru -","- O2 Ru -","- O4 Ru2 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Note: data from Boman (1970)","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007542","4.5003","","4.5003","","3.1839","","90","","90","","90","","64.483","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- O2 Os -","- O2 Os -","- O4 Os2 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Note: data from Boman (1970)","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007543","4.9568","","4.9568","","3.3866","","90","","90","","90","","83.208","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","Plattnerite","- O2 Pb -","- O2 Pb -","- O4 Pb2 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Note: data from Leciejewicz and Padlo (1962)","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007544","8.195","","8.195","","8.195","","90","","90","","90","","550.36","","","","","","","","","","","","Bou-Azzer, Morocco","4","I m -3","-I 2 2 3","204","","","Skutterudite","- As3 Co0.87 Fe0.11 Ni0.13 -","- As3 Co0.87 Fe0.11 Ni0.13 -","- As24 Co6.96 Fe0.88 Ni1.04 -","8","0.166667","","Mandel, N.; Donohue, J.","The refinement of the crystal structure of skutterudite, CoAs3","Acta Crystallographica, Section B","1971","27","","2288","2289","10.1107/S0567740871005727","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9011110","11.37","","11.37","","11.37","","90","","90","","90","","1469.88","","","","973.15","","","","","","","","Synthetic","3","P a -3","-P 2ac 2ab 3","205","","","Cliffordite","- O9 Te3 U -","- O9 Te3 U -","- O72 Te24 U8 -","8","0.333333","","Galy, J.; Meunier, G.","A propos de la cliffordite UTe3O8. Le Systeme UO3-TeO2 a 700 C. Structure cristalline de UTe3O9 Sample: T = 700 C","Acta Crystallographica, Section B","1971","27","","608","616","10.1107/S0567740871002632","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011111","16.07999","","6.69","","7.95","","90","","104.9","","90","","826.466","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Hexahydroborite","- B2 Ca H12 O10 -","- B2 Ca H12 O10 -","- B8 Ca4 H48 O40 -","4","0.5","","Sedlacek, P.; Dornberger-Schiff K","An OD-Disordered modification of the calcium monoborate dihydrate Ca[B(OH)4]2*2H2O Sample: MDO (1)","Acta Crystallographica, Section B","1971","27","","1532","1541","10.1107/S0567740871004357","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011112","8.04","","6.69","","7.95","","90","","104.9","","90","","413.233","","","","","","","","","","","","Synthetic","4","P 1 2/c 1","-P 2yc","13","","","Hexahydroborite","- B2 Ca H12 O10 -","- B2 Ca H12 O10 -","- B4 Ca2 H24 O20 -","2","0.5","","Sedlacek, P.; Dornberger-Schiff K","An OD-Disordered modification of the calcium monoborate dihydrate Ca[B(OH)4]2*2H2O Sample: MDO (2)","Acta Crystallographica, Section B","1971","27","","1532","1541","10.1107/S0567740871004357","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011113","5.584","","14.6","","5.374","","90","","90","","90","","438.123","","","","","","","","","","","","Synthetic","4","I b m 2","I 2 -2b","46","","","Brownmillerite","- Al Ca2 Fe O5 -","- Al Ca2 Fe O5 -","- Al4 Ca8 Fe4 O20 -","4","0.5","","Colville, A. A.; Geller, S.","The crystal structure of brownmillerite, Ca2FeAlO5 Note: no bond lengths could be reproduced","Acta Crystallographica, Section B","1971","27","12","2311","2315","10.1107/S056774087100579X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011114","16.51","","11.277","","3.645","","90","","96.8","","90","","673.864","","","","","","","","","","","","Synthetic","4","P 1 21/n 1","-P 2yn","14","","","Guanine","- C5 H7 N5 O2 -","- C5 H7 N5 O2 -","- C20 H28 N20 O8 -","4","1","","Thewalt, U.; Bugg, C. E.; Marsh, R. E.","The crystal structure of guanine monohydrate","Acta Crystallographica, Section B","1971","27","","2358","2362","10.1107/S0567740871005880","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9013890","11.484","","11.484","","5.62","","90","","90","","90","","741.178","","","","","","","","","","","","Synthetic","3","I -4 2 d","I -4 2bw","122","","","Santarosaite","- B2 Cu O4 -","- B2 Cu O4 -","- B24 Cu12 O48 -","12","0.75","","Martinez-Ripoll M; Martinez-Carrera S; Garcia-Blanco S","The crystal structure of copper metaborate, CuB2O4","Acta Crystallographica, Section B","1971","27","","677","681","10.1107/S0567740871002760","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9015028","9.077","","5.679","","7.279","","90","","90","","90","","375.22","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Barberiite","- B F4 H4 N -","- B F4 H4 N -","- B4 F16 H16 N4 -","4","0.5","","Caron, A. P.; Ragle, J. L.","Refinement of the structure of orthorhombic ammonium tetrafluoroborate, NH4BF4","Acta Crystallographica, Section B","1971","27","","1102","1107","10.1107/S0567740871003601","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""