# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T10:54:16+02:00
# 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') AND volume = 16 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
"1008915","6.042","0.001","6.042","","11.37","0.01","90","","90","","120","","359.5","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Lutetium manganese(III) trioxide","","- Lu Mn O3 -","- Lu Mn O3 -","- Lu6 Mn6 O18 -","6","0.5","","Yakel, H L; Koehler, W C; Bertaut, E F; Forrat, E F","On the crystal structure of the manganese(III) trioxides of the heavy lanthanides and yttrium","Acta Crystallographica (1,1948-23,1967)","1963","16","","957","962","10.1107/S0365110X63002589","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100020","5","","5.72","","11.12","","90","","90","","90","","318","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","Tin (II) oxide - red modification","","- O Sn -","- O Sn -","- O8 Sn8 -","8","1","","Donaldson, J D; Moser, W; Simpson, W B","The structure of the red modification of tin(II)oxide","Acta Crystallographica (1,1948-23,1967)","1963","16","","A22","A22","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"2310000","4.5618","0.0005","4.5618","0.0005","3.0205","0.0005","90","","90","","90","","62.857","0.014","","","298.15","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Magnesium hydride","","- D2 Mg -","- D4 Mg2 -","- D4 Mg2 -","","","A03803","W. H. Zachariasen; C. E. Holley; Stamper, Jnr, J. F.","Neutron Diffraction Study of Magnesium Deuteride","Acta Crystallographica","1963","16","","352","353","10.1107/S0365110X63000967","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310238","5.312","","5.312","","5.312","","90","","90","","90","","149.891","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Sc P","","- P Sc -","- P Sc -","- P4 Sc4 -","4","0.0208333","","Parthe, E.","Note on the structure of Sc P and Y P","Acta Crystallographica (1,1948-23,1967)","1963","16","","71","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310246","9.108","","9.108","","8.852","","90","","90","","90","","734.324","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- Mo Ni -","- Mo Ni -","- Mo28 Ni28 -","28","7","","Shoemaker, C.B.; Shoemaker, D.P.","The crystal structure of the delta phase, Mo-Ni","Acta Crystallographica (1,1948-23,1967)","1963","16","","997","1009","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310256","7.149","","7.149","","3.899","","90","","90","","120","","172.574","","","","","","","","","","","","","2","P -6 2 m","P -6 -2","189","","","","- Pd5 Th3 -","- Pd5 Th3 -","- Pd5 Th3 -","1","0.0833333","","Thomson, J.R.","The crystal strucure of Th3 Pd5 and Th3 Pt5","Acta Crystallographica (1,1948-23,1967)","1963","16","","320","321","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310266","9.6274","","9.6274","","5.015","","90","","90","","90","","464.824","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","(Re W)","","- Re W -","- Re W -","- Re15 W15 -","15","0.9375","","Wilson, C.G.","Order in binary sigma-phases","Acta Crystallographica (1,1948-23,1967)","1963","16","","734","737","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310289","9.2287","","9.2287","","4.8269","","90","","90","","90","","411.102","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Co2 Mo3 -","- Co2 Mo3 -","- Co12 Mo18 -","6","0.375","","Forsyth, J.B.; D'Alte da Veiga, L.M.","The structure of the sigma-phase Co2 Mo3","Acta Crystallographica (1,1948-23,1967)","1963","16","","509","512","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310298","4.308","","6.891","","7.303","","90","","90","","90","","216.8","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Cu2 Y -","- Cu2 Y -","- Cu8 Y4 -","4","0.25","","Kejriwal, P.K.; Ryba, E.","Crystal structure of Y Cu2","Acta Crystallographica (1,1948-23,1967)","1963","16","","853","853","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310303","3.475","","10.976","","9.22","","90","","90","","90","","351.666","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Co Pu3 -","- Co Pu3 -","- Co4 Pu12 -","4","0.25","","Larson, A.C.; Cromer, D.T.; Roof, R.B.jr.","The crystal structure of Pu3 Co","Acta Crystallographica (1,1948-23,1967)","1963","16","","835","836","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310318","4.346","","4.346","","3.807","","90","","90","","120","","62.272","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Cu2 La -","- Cu2 La -","- Cu2 La -","1","0.0416667","","Storm, A.R.; Benson, K.E.","Lanthanide-copper intermetallic compounds having the Ce Cu2 and Al B2 structures","Acta Crystallographica (1,1948-23,1967)","1963","16","","701","702","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310323","9.128","","9.128","","4.813","","90","","90","","90","","401.021","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Fe Mo -","- Fe Mo -","- Fe15 Mo15 -","15","0.9375","","Wilson, C.G.; Spooner, F.J.","Ordering of atoms in the sigma phase of Fe Mo","Acta Crystallographica (1,1948-23,1967)","1963","16","","230","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310371","12.43","","7.458","","7.175","","90","","91.18","","90","","665.003","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","K2 (N H (S O3)2)","","- H K2 N O6 S2 -","- H K2 N O6 S2 -","- H4 K8 N4 O24 S8 -","4","0.5","","Cruickshank, D.W.J.; Jones, D.W.","A refinement of the crystal structure of potassium imidodisulphate","Acta Crystallographica (1,1948-23,1967)","1963","16","","877","883","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310372","9.57","","11.79","","12.91","","90","","109.5","","90","","1373.09","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Br Mn (C O)4)2","","- C8 Br2 Mn2 O8 -","- C8 Br2 Mn2 O8 -","- C32 Br8 Mn8 O32 -","4","1","","Dahl, L.F.; Wei, C.H.","Crystal structure of (Br Mn (C O)4)2","Acta Crystallographica (1,1948-23,1967)","1963","16","","611","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","148747","2020-10-21","18:00:00",""
"2310376","6.89","","6.89","","19.94","","90","","90","","90","","946.594","","","","","","","","","","","","","2","I 41/a m d :2","-I 4bd 2","141","","U O3","","- O3 U -","- O3 U -","- O48 U16 -","16","0.5","","Engmann, R.; de Wolff, P.M.","The crystal structure of gamma-U O3","Acta Crystallographica (1,1948-23,1967)","1963","16","","993","996","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310379","8.99","","7.92","","4.13","","90","","105.53","","90","","283.323","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","(Zn (N2 H4)2) Cl2","","- Cl2 H8 N4 Zn -","- Cl2 H8 N4 Zn -","- Cl4 H16 N8 Zn2 -","2","0.25","","Ferrari, A.; Bigliardi, G.; Braibanti, A.","Chains of complexes in the crystal structure of bishydrazine zinc chloride","Acta Crystallographica (1,1948-23,1967)","1963","16","","498","502","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310380","3.483","","3.483","","17.4","","90","","90","","120","","182.804","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Ni Cl2","","- Cl2 Ni -","- Cl2 Ni -","- Cl6 Ni3 -","3","0.0833333","","Ferrari, A.; Braibanti, A.; Bigliardi, G.","Refinement of the crystal structure of Ni Cl2 and of unit-cell parameters of some anhydrous chlorides of divalent metals","Acta Crystallographica (1,1948-23,1967)","1963","16","","846","847","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310384","8.52","","11.09","","6.69","","90","","90","","90","","632.117","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","K H2 F3","","- F3 H2 K -","- F3 K -","- F24 K8 -","8","2","","Forrester, J.D.; Zalkin, A.; Senko, M.E.; Templeton, D.H.","Crystal Structure of K H2 F3 and Geometry of the H2 F3(-) Ion","Acta Crystallographica (1,1948-23,1967)","1963","16","","58","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310395","9.181","","12.459","","6.239","","90","","106.95","","90","","682.653","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(N H4)2 Ni (S O4)2 (H2 O)6","","- H20 N2 Ni O14 S2 -","- H20 N2 Ni O14 S2 -","- H40 N4 Ni2 O28 S4 -","2","0.5","","Grimes, N. W.; Kay, H. F.; Webb, M. W.","The crystal structure of ammonium nickel sulphate hexahydrate (N H4)2 Ni (S O4)2 (H2 O)6","Acta Crystallographica (1,1948-23,1967)","1963","16","","823","829","","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00",""
"2310418","11.37","","6.01","","7.63","","90","","85.7","","90","","519.918","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Na (P O3)","","- Na O3 P -","- Na O3 P -","- Na8 O24 P8 -","8","2","","Jost, K.H.","Die Struktur des Kurrol'schen Na-Salzes (Na P O3)x, Typ B","Acta Crystallographica (1,1948-23,1967)","1963","16","","640","642","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310459","5.868","","5.624","","6.45","","90","","90","","90","","212.861","","","","","","","","","","","","","5","P m c m","-P 2c 2","51","","Na H C N4 H2 O","","- C H3 N4 Na O -","- C H3 N4 Na O -","- C2 H6 N8 Na2 O2 -","2","0.25","","Palenik, G.J.","The crystal and molecular structure of sodium tetrazolate monohydrate","Acta Crystallographica (1,1948-23,1967)","1963","16","","596","600","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310460","6.31","","7.08","","6.19","","90","","90","","90","","276.537","","","","","","","","","","","","","2","P c a b","-P 2bc 2ac","61","","N C C N","","- C2 N2 -","- C2 N2 -","- C8 N8 -","4","0.5","","Parkes, A.S.; Hughes, R.E.","The crystal structure of cyanogen","Acta Crystallographica (1,1948-23,1967)","1963","16","","734","736","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310499","7.676","","11.463","","11.396","","90","","109.63","","90","","944.457","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Eu2 (W O4)3","","- Eu2 O12 W3 -","- Eu2 O12 W3 -","- Eu8 O48 W12 -","4","0.5","","Templeton, D.H.; Zalkin, A.","Crystal structure of europium tungstate","Acta Crystallographica (1,1948-23,1967)","1963","16","","762","766","","","","","","","","","","","","","","","","","","","","","","has coordinates","150043","2020-10-21","18:00:00",""
"2310504","6.078","","11.145","","9.145","","90","","108.83","","90","","586.322","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Li Cu Cl3 (H2 O)2","","- Cl3 Cu O2 -","- Cl3 Cu H4 O2 -","- Cl12 Cu4 H16 O8 -","4","1","","Vossos, P.H.; Fitzwater, D.R.; Rundle, R.E.","The crystal structure of Li Cu Cl3 (H2 O)2","Acta Crystallographica (1,1948-23,1967)","1963","16","","1037","1045","","","","","","","","","","","","","","","","","","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2310540","14.339","","4.006","","9.873","","90","","95","","90","","564.967","","","","","","","","","","","","Synthetic","2","C 1 2/m 1","-C 2y","12","","","Kalgoorlieite","- As2 Te3 -","- As2 Te3 -","- As8 Te12 -","4","0.5","","Carron, G.J.","The crystal structure and powder data for arsenic telluride","Acta Crystallographica (1,1948-23,1967)","1963","16","","338","343","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"2310546","6.758","","6.758","","5.778","","90","","90","","120","","228.531","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Ba Ti S3","","- Ba S3 Ti -","- Ba S3 Ti -","- Ba2 S6 Ti2 -","2","0.166667","","Clearfield, A.","The synthesis and crystal structures of some alkaline earth titanium and zirkonium sulfides","Acta Crystallographica (1,1948-23,1967)","1963","16","","135","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310571","13.282","","14.351","","4.284","","90","","95.72","","90","","812.507","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","K (I Cl4) (H2 O)","","- Cl4 H2 I K O -","- Cl4 H2 I K O -","- Cl16 H8 I4 K4 O4 -","4","1","","Elema, R. J.; Vos, A.; de Boer, J. L.","The refinement of the crystal structure of K I Cl4 (H2 O)","Acta Crystallographica (1,1948-23,1967)","1963","16","","243","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","189208","2020-10-21","18:00:00",""
"2310572","9.19","","6.9","","8.92","","90","","101.2","","90","","554.854","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","As (C N)3","","- C3 As N3 -","- C3 As N3 -","- C12 As4 N12 -","4","1","","Emerson, K.; Britton, D.","The Crystal and Molecular Structure of Arsenic Tricyanide","Acta Crystallographica (1,1948-23,1967)","1963","16","","113","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310586","4.47","","5.75","","17.07999","","90","","91.12","","90","","438.915","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cu5 (P O4)2 (O H)4","","- Cu5 H4 O12 P2 -","- Cu5 O12 P2 -","- Cu10 O24 P4 -","2","0.5","","Ghose, S.","The crystal structure of pseudomalachite, Cu5 (P O4) (O H)4","Acta Crystallographica (1,1948-23,1967)","1963","16","","124","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310612","5.76","","8.537","","9.121","","90","","90","","90","","448.508","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Al4 O4 C","","- C Al4 O4 -","- C Al4 O4 -","- C4 Al16 O16 -","4","0.5","","Jeffrey, G.A.; Slaughter, M.","The structure of aluminium tetroxycarbide","Acta Crystallographica (1,1948-23,1967)","1963","16","","177","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310623","4.412","","16.19","","9.69","","90","","90","","90","","692.159","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","K Hg (C N)2 I","","- C2 Hg I K N2 -","- C2 Hg I K N2 -","- C8 Hg4 I4 K4 N8 -","4","0.25","","Kruse, F.H.","The crystal structure of K I Hg (C N)2","Acta Crystallographica (1,1948-23,1967)","1963","16","","105","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310642","8.02","","7.26","","11.54","","90","","124.7","","90","","552.414","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Zn (C2 H5 N3 O2)2) Cl2","","- C4 H10 Cl2 N6 O4 Zn -","- C4 H10 Cl2 N6 O4 Zn -","- C8 H20 Cl4 N12 O8 Zn2 -","2","0.5","","Nardelli, M.; Fava, G.; Giraldi, G.","The crystal and molecular structure of bis-biuret-zinc chloride","Acta Crystallographica (1,1948-23,1967)","1963","16","","343","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310651","5.851","","5.851","","11.702","","90","","90","","90","","400.609","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Zn Sn As2","","- As2 Sn Zn -","- As2 Sn Zn -","- As8 Sn4 Zn4 -","4","0.25","","Pfister, H.","Kristallstruktur von Zn Sn As2","Acta Crystallographica (1,1948-23,1967)","1963","16","","153","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310676","5.49","","5.49","","7.085","","90","","90","","120","","184.933","","","","","","","","","","","","","4","P 3 1 m","P 3 -2","157","","Fe3 ((Fe Si) O4 (O H)5)","","- Fe4 H5 O9 Si -","- Fe4 O9 Si -","- Fe4 O9 Si -","1","0.166667","","Steadman, R.; Nuttall, P.M.","Polymorphism in cronstedtite","Acta Crystallographica (1,1948-23,1967)","1963","16","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310677","5.49","","5.49","","14.17","","90","","90","","120","","369.867","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Fe3 ((Fe Si) O4 (O H)5)","","- Fe4 H5 O9 Si -","- Fe4 O9 Si -","- Fe8 O18 Si2 -","2","0.166667","","Steadman, R.; Nuttall, P.M.","Polymorphism in cronstedtite","Acta Crystallographica (1,1948-23,1967)","1963","16","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310678","5.49","","5.49","","21.21","","90","","90","","120","","553.625","","","","","","","","","","","","","4","P 31","P 31","144","","Fe3 ((Fe Si) O4 (O H)5)","","- Fe4 H5 O9 Si -","- Fe4 O9 Si -","- Fe12 O27 Si3 -","3","1","","Steadman, R.; Nuttall, P.M.","Polymorphism in cronstedtite","Acta Crystallographica (1,1948-23,1967)","1963","16","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310679","5.49","","5.49","","42.5","","90","","90","","120","","1109.34","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Fe3 ((Fe Si) O4 (O H)5)","","- Fe4 H5 O9 Si -","- Fe4 O9 Si -","- Fe24 O54 Si6 -","6","0.666667","","Steadman, R.; Nuttall, P.M.","Polymorphism in cronstedtite","Acta Crystallographica (1,1948-23,1967)","1963","16","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310688","11.94","","11.94","","8.06","","90","","90","","90","","1149.06","","","","","","","","","","","","","3","P 42 n m","P 4n -2n","102","","((N H3)5 Co O2 Co (N H3)5) (N O3)5","","- Co2 N15 O11 -","- Co2 H30 N15 O11 -","- Co4 H60 N30 O22 -","2","0.25","","Vannerberg, N. G.; Brosset, C.","The crystal structure of decammine-mue-peroxodicobalt pentanitrate","Acta Crystallographica (1,1948-23,1967)","1963","16","","247","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00",""
"2310697","9.193","","9.193","","4.299","","90","","90","","90","","363.314","","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","(N S F)4","","- F4 N4 S4 -","- F4 N4 S4 -","- F8 N8 S8 -","2","0.25","","Wiegers, G.A.; Vos, A.","Refinement of the structure of tetrathiazylfluoride, (N S F)4","Acta Crystallographica (1,1948-23,1967)","1963","16","","152","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","151891","2020-10-21","18:00:00",""
"2310751","10.59","","7.1","","10.66","","90","","103.58","","90","","779.107","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Sn Br4","","- Br4 Sn -","- Br4 Sn -","- Br16 Sn4 -","4","1","","Brand, P.; Sackmann, H.","Die Kristallstruktur von Sn Br4","Acta Crystallographica (1,1948-23,1967)","1963","16","","446","451","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310879","4.3007","","4.3007","","11.222","","90","","90","","120","","179.754","","","","","","","","","","","","","1","R -3 m :H","-R 3 2""","166","","","","- Sb -","- Sb -","- Sb6 -","6","0.166667","","Barrett, C.S.; Cucka, P.; Haefner, K.","The Crystal Structure of Antimony at 4.2, 78 and 298 K","Acta Crystallographica (1,1948-23,1967)","1963","16","","451","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310880","3.3012","","3.3012","","11.232","","90","","90","","120","","106.006","","","","","","","","","","","","","1","R -3 m :H","-R 3 2""","166","","","","- Sb -","- Sb -","- Sb6 -","6","0.166667","","Barrett, C.S.; Cucka, P.; Haefner, K.","The crystal structure of antimony at 4.2, 78 and 298 K","Acta Crystallographica (1,1948-23,1967)","1963","16","","451","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310945","3.288","","3.288","","12.9","","90","","90","","120","","120.777","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mo Se2 -","- Mo Se2 -","- Mo2 Se4 -","2","0.0833333","","James, P.B.; Lavik, M.T.","The crystal structure of Mo Se2","Acta Crystallographica (1,1948-23,1967)","1963","16","","1183","1183","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310981","9.5788","","9.5788","","4.9741","","90","","90","","90","","456.391","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Mo Re2 -","- Mo Re2 -","- Mo10 Re20 -","10","0.625","","Wilson, C.G.","Order in binary sigma-phases","Acta Crystallographica (1,1948-23,1967)","1963","16","","724","730","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310994","4.5025","","4.5025","","3.0123","","90","","90","","90","","61.067","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Mg (D1.8 H0.2)","","- D1.8 H0.2 Mg -","- D1.8 H0.2 Mg -","- D3.6 H0.4 Mg2 -","2","0.125","","Zachariasen, W.H.; Holley, C.E.jr.; Stamper, J.F.jr.","Neutron diffraction study of magnesium deuteride","Acta Crystallographica (1,1948-23,1967)","1963","16","","352","353","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311043","11.83","","10.449","","9.227","","90","","138.65","","90","","753.522","","","","","","","","","","","","","1","C 1 2/m 1","-C 2y","12","","","","- Pu -","- Pu -","- Pu34 -","34","4.25","","Zachariasen, W.H.; Ellinger, F.H.","The crystal structure of beta plutonium metal","Acta Crystallographica (1,1948-23,1967)","1963","16","","369","375","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311056","25.04","","7.94","","25.16","","90","","160.6","","90","","1661.55","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Pb3 As5 S10","","- As5 Pb3 S10 -","- As5 Pb3 S10 -","- As20 Pb12 S40 -","4","1","","Nowacki, W.; Marumo, F.","Investigations on sulphosalts from Binnatal (Ct. Wallis, Switzerland). part 7","Acta Crystallographica (1,1948-23,1967)","1963","16","","A11","A12","","","","","","","","","","","","","","","","","","","","","","has coordinates","172629","2020-10-21","18:00:00",""
"5000040","6.991","","6.996","","6.238","","90","","90","","90","","305.1","","","","","","","","","","","","Madagascar","3","A m m a","-A 2a 2a","63","","Calcium sulfate","Anhydrite","- Ca O4 S -","- Ca O4 S -","- Ca4 O16 S4 -","4","0.25","","Cheng, G C H; Zussman, J","The crystal structure of anhydrite (Ca S O4)","Acta Crystallographica (1,1948-23,1967)","1963","16","","767","769","10.1107/S0365110X63001997","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"5000214","4.3084","0.0002","4.3084","0.0002","11.274","0.006","90","","90","","120","","181.2","","","","","","","","","","","","","1","R -3 m :H","-R 3 2""","166","Antimony","Antimony","Antimony","- Sb -","- Sb -","- Sb6 -","6","0.166667","","Barrett, C S; Cucka, P; Haefner, K","The Crystal Structure of Antimony at 4.2, 78 and 298 K","Acta Crystallographica (1,1948-23,1967)","1963","16","","451","453","10.1107/S0365110X63001262","","","","","","0.0225","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"9007474","10.992","","8.185","","5.671","","93.95","","91.32","","89.85","","508.87","","","","","","","","","","","","Bultfontein mine, Kimberley, South Africa","5","P -1","-P 1","2","","","Bultfonteinite","- Ca2 F H3 O5 Si -","- Ca2 F H3 O5 Si -","- Ca8 F4 H12 O20 Si4 -","4","2","","McIver, E. J.","The structure of bultfonteinite, Ca4Si2O10F2H6","Acta Crystallographica","1963","16","","551","558","10.1107/S0365110X63001456","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007475","4.13","","4.13","","8.49","","90","","90","","120","","125.412","","","","","","","","","","","","Synthetic, preferred structure model","3","P 63/m m c","-P 6c 2c","194","","","Vaterite","- C Ca O3 -","- C0.99999 Ca O2.99997 -","- C1.99998 Ca2 O5.99994 -","2","0.0833333","","Kamhi, S. R.","On the structure of vaterite, CaCO3","Acta Crystallographica","1963","16","","770","772","10.1107/S0365110X63002000","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9011054","8.886","","8.886","","8.886","","90","","90","","90","","701.647","","","","","","","","","","","","Synthetic","3","P -4 3 n","P -4n 2 3","218","","","Metaborite","- B H O2 -","- B H O2 -","- B24 H24 O48 -","24","1","","Zachariasen, W. H.","The crystal structure of cubic metaboric acid","Acta Crystallographica","1963","16","","380","384","10.1107/S0365110X63001018","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9015212","9.42","","9.42","","9.42","","94.28","","94.28","","94.28","","828.533","","","","","","","","","","","","Synthetic","5","R -3 m :R","-P 3* 2","166","","","Chabazite-Ca","- Al3.9 Ca1.95 H26 O37 Si8.1 -","- Al3.9 Ca1.95 H26 O37 Si8.1 -","- Al3.9 Ca1.95 H26 O37 Si8.1 -","1","0.0833333","","Smith, J. V.; Rinaldi, F.; Dent Glasser, L. S.","Crystal structures with a chabazite framework. II. Hydrated Ca-chabazite at room temperature","Acta Crystallographica","1963","16","","45","53","10.1107/S0365110X63000074","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015871","7.122","","8.842","","6.771","","90","","93.26","","90","","425.698","","","","","","","","","","","","Synthetic","3","P 1 21/a 1","-P 2yab","14","","","Clinometaborite","- B H O2 -","- B12 H12 O24 -","- B12 H12 O24 -","","","","Zachariasen, W. H.","The crystal structure of monoclinic metaboric acid","Acta Crystallographica","1963","16","","385","389","10.1107/S0365110X6300102X","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017290","8.48","","12.97","","7.18","","90","","115.98","","90","","709.895","","","","","","","","","","","","Unknown","4","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Ribbe, P. H.","A refinement of the crystal structure of sanidinised orthoclase Note: Occupancies not provided, estimated using Kroll & Ribbe, 1983","Acta Crystallographica","1963","16","","426","427","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""