# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T11:28:41+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 (1,1948-23,1967)') AND volume = 22 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
"2310011","5.697","","3.971","","5.72","","90","","90","","90","","129.402","","","","","","","","","","","","","3","B m m 2","B 2 -2","38","","","","- K Nb O3 -","- K Nb O3 -","- K2 Nb2 O6 -","2","0.25","","Katz, L.; Megaw, H. D.","The structure of potassium niobate at room temperature: the solution of a pseudosymmetric structure by Fourier methods","Acta Crystallographica","1967","22","5","639","","10.1107/S0365110X6700129X","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2310211","13.935","","8.8797","","11.6927","","90","","90","","90","","1446.84","","","","","","","","","","","","","2","C 2 2 21","C 2c 2","20","","","","- Na2 Tl -","- Na2 Tl -","- Na32 Tl16 -","16","2","","Hansen, D.A.; Smith, J.F.","Structure and bonding model for Na2 Tl","Acta Crystallographica (1,1948-23,1967)","1967","22","","836","845","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310216","8.915","","8.915","","6.541","","90","","90","","120","","450.212","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","","- Ho5 Pb3 -","- Ho5 Pb3 -","- Ho10 Pb6 -","2","0.0833333","","Jeitschko, W.; Parthe, E.","D8,8 phases of the rare earth elements with tin and lead","Acta Crystallographica (1,1948-23,1967)","1967","22","","551","555","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310217","8.847","","8.847","","6.458","","90","","90","","120","","437.745","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","","- Ho5 Sn3 -","- Ho5 Sn3 -","- Ho10 Sn6 -","2","0.0833333","","Jeitschko, W.; Parthe, E.","D8,8 phases of the rare earth elements with tin and lead","Acta Crystallographica (1,1948-23,1967)","1967","22","","551","555","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310263","14.352","","14.352","","14.218","","90","","90","","120","","2536.26","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Gd13 Zn58 -","- Gd13 Zn58 -","- Gd26 Zn116 -","2","0.166667","","Wang, F.E.","The crystal structure of Gd13 Zn58","Acta Crystallographica (1,1948-23,1967)","1967","22","","579","584","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310297","14.78","","14.78","","10.43","","90","","90","","90","","2278.42","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Ce5 Mg41 -","- Ce5 Mg41 -","- Ce10 Mg82 -","2","0.125","","Johnson, Q.; Smith, G.S.","The crystal structure of Ce5 Mg42","Acta Crystallographica (1,1948-23,1967)","1967","22","","360","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310346","6.44","","3.899","","7.651","","90","","90","","90","","192.113","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Pb F2","","- F2 Pb -","- F2 Pb -","- F8 Pb4 -","4","0.5","","Boldrini, P.; Loopstra, B.O.","Neutron diffraction investigation of orthorhombic lead(II) fluoride","Acta Crystallographica (1,1948-23,1967)","1967","22","","744","745","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310363","13.461","","7.783","","15.967","","90","","90","","90","","1672.81","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Cd (S C (N H2)2) S O4 (H2 O)2","","- C H4 Cd N2 O6 S2 -","- C H4 Cd N2 O6 S2 -","- C8 H32 Cd8 N16 O48 S16 -","8","1","","Cavalca, L.; Domiano, P.; Gasparri, G.F.; Boldrini, P.","The Crystal Structure of Monothiourea-cadmium Sulphate Dihydrate","Acta Crystallographica (1,1948-23,1967)","1967","22","","878","885","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310370","12.243","","12.243","","12.243","","90","","90","","90","","1835.12","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","(N D4) Al (S O4)2 (D2 O)12","","- Al D28 N O20 S2 -","- Al D28 N O20 S2 -","- Al4 D112 N4 O80 S8 -","4","0.166667","","Cromer, D.T.; Kay, M.I.","Refinement of the alum structures IV. Neutron diffraction study of deuterated ammonium alum, N D4 Al (S O4)2 (D2 O)12, an alpha-Alum","Acta Crystallographica (1,1948-23,1967)","1967","22","","800","805","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310374","7.97","","11.35","","8.36","","90","","105.4","","90","","729.089","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Pa Cl5","","- Cl5 Pa -","- Cl5 Pa -","- Cl20 Pa4 -","4","0.5","","Dodge, R.P.; Elson, R.E.; Smith, G.S.; Johnson, Q.","The crystal structure of protactinium pentachloride","Acta Crystallographica (1,1948-23,1967)","1967","22","","85","89","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310377","20.646","","5.129","","19.213","","90","","93.62","","90","","2030.47","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Fe3 (O H)2.5 (P O4)2 (H2 O)3","","- Fe3 H8.5 O13.5 P2 -","- Fe3 H8.5 O13.5 P2 -","- Fe24 H68 O108 P16 -","8","1","","Fanfani, L.; Zanazzi, P.F.","The crystal structure of beraunite","Acta Crystallographica (1,1948-23,1967)","1967","22","","173","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310383","12.34","","12.85","","6.29","","90","","90","","90","","997.399","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Zn (H2 O)6) (N O3)2","","- H12 N2 O12 Zn -","- H12 N2 O12 Zn -","- H48 N8 O48 Zn4 -","4","0.5","","Ferrari, A.; Tiripicchio, A.; Braibanti, A.; Lanfredi, A.M.M.","Crystal structures of nitrates of divalent hexaquocations I. Hexaquozinc nitrate","Acta Crystallographica (1,1948-23,1967)","1967","22","","240","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2310387","5.305","","27.24","","5.705","","90","","114","","90","","753.144","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ni (N O3)2 (H2 O)4","","- H8 N2 Ni O10 -","- H8 N2 Ni O10 -","- H32 N8 Ni4 O40 -","4","1","","Gallezot, P.; Prettre, M.; Weigel, D.","Structure du nitrate de nickel tetrahydrate","Acta Crystallographica (1,1948-23,1967)","1967","22","","699","705","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310388","8.38","","3.99","","6.02","","90","","90","","90","","201.286","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- La Si -","- La Si -","- La4 Si4 -","4","0.5","","Gaman, A.; Steinfink, H.","The Crystal Structures of Rare-Earth Monosilicides","Acta Crystallographica (1,1948-23,1967)","1967","22","","688","691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310390","6.63","","13.36","","14.43","","90","","90","","90","","1278.16","","","","","","","","","","","","","3","P c m n","-P 2n 2ac","62","","P3 N3 Br6","","- Br6 N3 P3 -","- Br6 N3 P3 -","- Br24 N12 P12 -","4","0.5","","Giglio, E.; Puliti, R.","Crystal structure of trimeric phosphonitrilic bromide","Acta Crystallographica (1,1948-23,1967)","1967","22","","304","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310391","13.39","","12.075","","5.294","","90","","89.17","","90","","855.867","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Na3 Fe5 O9","","- Fe5 Na3 O9 -","- Fe5 Na3 O9 -","- Fe20 Na12 O36 -","4","0.5","","Gomers, C.; Rooymans, C.J.M.; de Graaff, R.A.G.","The preparation, crystal structure and magnetic properties of Na3 Fe5 O9","Acta Crystallographica (1,1948-23,1967)","1967","22","","766","771","","","","","","","","","","","","","","","","","","","","","","has coordinates","149001","2020-10-21","18:00:00",""
"2310401","3.5315","","9.8989","","10.4","","90","","90","","90","","363.563","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Y2 Be O4","","- Be O4 Y2 -","- Be O4 Y2 -","- Be4 O16 Y8 -","4","0.5","","Harris, L.A.; Yakel, H.L.jr.","The crystal structure of Y2 Be O4","Acta Crystallographica (1,1948-23,1967)","1967","22","","354","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310407","6.507","","17.796","","8.377","","90","","96.57","","90","","963.674","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Na2 B8 O13","","- B8 Na2 O13 -","- B8 Na2 O13 -","- B32 Na8 O52 -","4","1","","Hyman, A.; Perloff, A.; Block, S.; Mauer, F.","The crystal structure of sodium tetraborate","Acta Crystallographica (1,1948-23,1967)","1967","22","","815","821","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310412","11.57","","5.96","","6.39","","90","","102.1","","90","","430.847","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Na2 (H2 Si O4) (H2 O)5","","- H12 Na2 O9 Si -","- Na2 O9 Si -","- Na4 O18 Si2 -","2","1","","Jamieson, P.B.; Dent Glasser, L.S.","Sodium silicate hydrates. III. The crystal structure of Na2 O Si O2 (H2 O)6 and of the isostructural Na2 O Ge O2 (H2 O)6","Acta Crystallographica (1,1948-23,1967)","1967","22","","507","522","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310413","11.51","","6.15","","6.36","","90","","102.1","","90","","440.2","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Na2 H2 Ge O4 (H2 O)5","","- Ge H12 Na2 O9 -","- Ge Na2 O9 -","- Ge2 Na4 O18 -","2","1","","Jamieson, P.B.; Dent Glasser, L.S.","Sodium silicate hydrates. III. The crystal structure of Na2 O Si O2 (H2 O)6 and of the isostructural Na2 O Ge O2 (H2 O)6","Acta Crystallographica (1,1948-23,1967)","1967","22","","507","522","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310425","9.22","","7.54","","10.35","","90","","109.2","","90","","679.497","","","","","","","","","","","","","2","A 1 2/a 1","-A 2ya","15","","","","- H2 O -","- H2 O -","- H56 O28 -","28","3.5","","Kamb, B.; Prakash, A.; Knobler, C.","Structure of Ice V","Acta Crystallographica (1,1948-23,1967)","1967","22","","706","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310442","17.01","","6.96","","14.85","","90","","112","","90","","1630.07","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Na4 P2 O7 (H2 O)10","","- H20 Na4 O17 P2 -","- H20 Na4 O17 P2 -","- H80 Na16 O68 P8 -","4","0.5","","McDonald, W.S.; Cruickshank, D.W.J.","A reinvestigation of the structure of Na4 P2 O7 (H2 O)10","Acta Crystallographica (1,1948-23,1967)","1967","22","","43","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","149528","2020-10-21","18:00:00",""
"2310447","9.42","","12.76","","6.22","","90","","107.2","","90","","714.203","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","V (N H4)2 (S O4)2 (H2 O)6","","- H20 N2 O14 S2 V -","- H20 N2 O14 S2 V -","- H40 N4 O28 S4 V2 -","2","0.5","","Montgomery, H.; Chastain, R.V.; Lingafelter, E.C.; Natt, J.J.; Witkowska, A.M.","The Crystal Structure of Tutton's Salts. VI. Vanadium(II), Iron(II) and Cobalt(II) Ammonium Sulfate Hexahydrates","Acta Crystallographica (1,1948-23,1967)","1967","22","","775","780","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310448","9.32","","12.65","","6.24","","90","","106.8","","90","","704.284","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Fe (N H4)2 (S O4)2 (H2 O)6","","- Fe H20 N2 O14 S2 -","- Fe H20 N2 O14 S2 -","- Fe2 H40 N4 O28 S4 -","2","0.5","","Montgomery, H.; Chastain, R.V.; Natt, J.J.; Witkowska, A.M.; Lingafelter, E.C.","The Crystal Structure of Tutton's Salts. VI. Vanadium(II), Iron(II) and Cobalt(II) Ammonium Sulfate Hexahydrates","Acta Crystallographica (1,1948-23,1967)","1967","22","","775","780","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310458","6.95","","5.95","","7.7","","90","","120.8","","90","","273.505","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N H3 (O H)) Cl","","- Cl H4 N O -","- Cl H4 N O -","- Cl4 H16 N4 O4 -","4","1","","Padmanabhan, V.M.; Smith, H.G.; Peterson, S.W.","Meutron diffraction study of hydroxylammonium chloride, N H3 O H Cl","Acta Crystallographica (1,1948-23,1967)","1967","22","","928","930","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310466","4.19","","10.35","","3.78","","90","","90","","90","","163.925","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Er Si -","- Er Si -","- Er4 Si4 -","4","0.25","","Raman, A.; Steinfink, H.","The Crystal Structures of Rare-Earth Monosilicides","Acta Crystallographica (1,1948-23,1967)","1967","22","","688","691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310469","5.033","","12","","4.493","","90","","90","","90","","271.359","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Sn Sr -","- Sn Sr -","- Sn4 Sr4 -","4","0.25","","Rieger, W.; Parthe, E.","Alkaline earth silicides, germanides and stannides with Cr B structure type","Acta Crystallographica (1,1948-23,1967)","1967","22","","919","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310483","12.42","","12.42","","12.42","","90","","90","","90","","1915.86","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ca4 Na4 (Al12 Si12 O48)","","- Al12 Ca4 Na4 O48 Si12 -","- Al12 Ca4 Na4 O48 Si12 -","- Al12 Ca4 Na4 O48 Si12 -","1","0.0208333","","Seff, K.; Shoemaker, D.P.","The structures of zeolite sorption complexes. I. The structures of dehydrated zeolite 5A and its iodine sorption complex","Acta Crystallographica (1,1948-23,1967)","1967","22","","162","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","149932","2020-10-21","18:00:00",""
"2310484","12.29","","12.29","","12.29","","90","","90","","90","","1856.33","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","Na4 Ca4 Si12 Al12 O48 (I2)5.52","","- Al12 Ca4 I11.04 Na4 O48 Si12 -","- Al12 Ca4 I11.04 Na4 O48 Si12 -","- Al12 Ca4 I11.04 Na4 O48 Si12 -","1","0.0208333","","Seff, K.; Shoemaker, D.P.","The structures of zeolite sorption complexes. I. The structures of dehydrated zeolite 5A and its iodine sorption complex","Acta Crystallographica (1,1948-23,1967)","1967","22","","162","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","149933","2020-10-21","18:00:00",""
"2310812","3.82","","3.82","","50.07999","","90","","90","","120","","632.88","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","Zn S","","- S Zn -","- S Zn -","- S16 Zn16 -","16","1.33333","","Mardix, S.; Alexander, E.; Brafman, O.; Steinberger, I.T.","Polytype families in zinc sulfide crystals","Acta Crystallographica (1,1948-23,1967)","1967","22","","808","812","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310813","3.82","","3.82","","150.24","","90","","90","","120","","1898.64","","","","","","","","","","","","","2","R 3 m :H","R 3 -2""","160","","Zn S","","- S Zn -","- S Zn -","- S48 Zn48 -","48","2.66667","","Mardix, S.; Alexander, E.; Brafman, O.; Steinberger, I.T.","Polytype families in zinc sulfide crystals","Acta Crystallographica (1,1948-23,1967)","1967","22","","808","812","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310814","3.82","","3.82","","187.8","","90","","90","","120","","2373.3","","","","","","","","","","","","","2","R 3 m :H","R 3 -2""","160","","Zn S","","- S Zn -","- S Zn -","- S60 Zn60 -","60","3.33333","","Mardix, S.; Alexander, E.; Brafman, O.; Steinberger, I.T.","Polytype families in zinc sulfide crystals","Acta Crystallographica (1,1948-23,1967)","1967","22","","808","812","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310815","3.82","","3.82","","62.59999","","90","","90","","120","","791.1","","","","","","","","","","","","","2","P 3 m 1","P 3 -2""","156","","Zn S","","- S Zn -","- S Zn -","- S20 Zn20 -","20","3.33333","","Mardix, S.; Alexander, E.; Steinberger, I.T.; Brafman, O.","Polytype families in zinc sulfide crystals","Acta Crystallographica (1,1948-23,1967)","1967","22","","808","812","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310828","7.671","","7.671","","8.271","","90","","90","","90","","486.701","","","","","","","","","","","","","6","P 4/n :2","-P 4a","85","","N H4 Cu Ti F7 (H2 O)4","","- Cu F7 H12 N O4 Ti -","- Cu F7 N O4 Ti -","- Cu2 F14 N2 O8 Ti2 -","2","0.25","","Decian, A.; Fischer, J.; Weiss, R.","Structure Cristalline de l'Heptafluorotitanate de Cuivre et d'Ammonium Tetrahydrate N H4 Cu Ti F7 (H2 O)4","Acta Crystallographica (1,1948-23,1967)","1967","22","","340","343","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310856","5.509","","9.82","","7.413","","90","","104.25","","90","","388.692","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cu Ti F6 (H2 O)4","","- Cu F6 H8 O4 Ti -","- Cu F6 O4 Ti -","- Cu2 F12 O8 Ti2 -","2","0.5","","Fischer, J.; Keib, G.; Weiss, R.","Structure Cristalline du Fluorotitanate de Cuivre Tetrahydrate, Cu Ti F6 (H2 O)4","Acta Crystallographica (1,1948-23,1967)","1967","22","","338","340","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310925","10.28","","6.075","","8.648","","90","","90","","90","","540.076","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(N H4) (Br I Cl)","","- Br Cl H4 I N -","- Br Cl H4 I N -","- Br4 Cl4 H16 I4 N4 -","4","0.5","","Migchelsen, T.; Vos, A.","Reinvestigation of the crystal structure of ammonium bromochloroiodate(I), N H4 Br I Cl, at 140 K","Acta Crystallographica (1,1948-23,1967)","1967","22","","812","815","","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00",""
"2310967","7.99","","10.69","","8.48","","90","","91.5","","90","","724.055","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","(Cl4 U Cl2 U Cl4)","","- Cl10 U2 -","- Cl10 U2 -","- Cl20 U4 -","2","0.5","","Smith, G.S.; Johnson, Q.; Elson, R.E.","The Crystal Structure of Uranium Pentachloride","Acta Crystallographica (1,1948-23,1967)","1967","22","","300","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310978","5.31","","9.19","","40.57999","","90","","100.05","","90","","1949.87","","","","","","","","","","","","","7","C 1","C 1","1","","K.86 Mg2.31 Li.69 Al.16 Si3.84 O10 F2","","- Al0.16 F2 K0.86 Li0.69 Mg2.31 O10 Si3.84 -","- Al0.16 F2 K0.86 Li0.69 Mg2.31 O10 Si3.84 -","- Al1.28 F16 K6.88 Li5.52 Mg18.48 O80 Si30.72 -","8","","","Takeda, H.","Determination of the Layer Stacking Sequence of a New Complex Mica Polytype: A 4-layer Lithium Fluorophlogopite","Acta Crystallographica (1,1948-23,1967)","1967","22","","845","853","","","","","","","","","","","","","","","","","","","","","","has coordinates","209123","2020-10-21","18:00:00",""
"2311022","5.36","","11.76","","21.07999","","85.13","","90","","103.22","","1288.61","","","","","","","","","","","","","8","A -1","-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)","2","","H5 Na K2 Fe6 Mn Ti2 Si8 O31","","- Fe6 H5 K2 Mn Na O31 Si8 Ti2 -","- Fe6.01 K2 Mn0.99 Na O31 Si8 Ti2 -","- Fe12.02 K4 Mn1.98 Na2 O62 Si16 Ti4 -","2","","","Woodrow, P.J.","The Crystal Structure of Astrophyllite","Acta Crystallographica (1,1948-23,1967)","1967","22","","673","678","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311050","5.057","","11.942","","4.299","","90","","90","","90","","259.62","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ba Ge -","- Ba Ge -","- Ba4 Ge4 -","4","0.25","","Rieger, W.; Parthe, E.","Alkaline earth silicides, germanides and stannides with Cr B structure type","Acta Crystallographica (1,1948-23,1967)","1967","22","","919","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311051","5.028","","11.929","","4.131","","90","","90","","90","","247.773","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ba Si -","- Ba Si -","- Ba4 Si4 -","4","0.25","","Rieger, W.; Parthe, E.","Alkaline earth silicides, germanides and stannides with Cr B structure type","Acta Crystallographica (1,1948-23,1967)","1967","22","","919","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311052","5.31","","12.485","","4.65","","90","","90","","90","","308.273","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ba Sn -","- Ba Sn -","- Ba4 Sn4 -","4","0.25","","Rieger, W.; Parthe, E.","Alkaline earth silicides, germanides and stannides with Cr B structure type","Acta Crystallographica (1,1948-23,1967)","1967","22","","919","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311053","4.808","","11.36","","4.169","","90","","90","","90","","227.706","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Sr Ge","","- Ge Sr -","- Ge Sr -","- Ge4 Sr4 -","4","0.25","","Rieger, W.; Parthe, E.","Alkaline earth silicides, germanides and stannides with Cr B structure type","Acta Crystallographica (1,1948-23,1967)","1967","22","","919","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000160","8.992","0.002","14.322","0.003","9.446","0.002","90","","90","","90","","1216.49","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 O4 -","- C14 O4 -","- C56 O16 -","4","1","","Sax, M.; McMullan, R. K.","The crystal structure of dibenzoyl peroxide and the dihedral angle in covalent peroxides","Acta Crystallographica","1967","22","2","281","288","10.1107/S0365110X67000477","","","","","","","","","","","","","","","","","","","","","has coordinates","175365","2020-10-21","18:00:00",""
"9007490","9.502","","11.974","","3.24","","90","","98.75","","90","","364.347","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Malachite","- C H2 Cu2 O5 -","- C H2 Cu2 O5 -","- C4 H8 Cu8 O20 -","4","1","","Susse, P.","Verfeinerung der kristallstruktur des malachits, Cu2(OH)2CO3","Acta Crystallographica","1967","22","","146","151","10.1107/S0365110X67000222","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9011063","5.191","","10.82","","12.384","","90","","90","","90","","695.567","","","","","","","","","","","","","2","P 21 n b","P -2bc 2a","33","","","","- O3 S -","- O3 S -","- O36 S12 -","12","3","","McDonald, W. S.; Cruickshank, D. W. J.","A refinement of the structure of S3O9","Acta Crystallographica","1967","22","","48","51","10.1107/S0365110X6700009X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011064","12.213","","12.213","","12.213","","90","","90","","90","","1821.66","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","Sodium alum","- Al H24 Na O20 S2 -","- Al H24 Na O20 S2 -","- Al4 H96 Na4 O80 S8 -","4","0.166667","","Cromer, D. T.; Kay, M. I.; Larson, A. C.","Refinement of the alum structures. II. X-ray and neutron diffraction of NaAl(SO4)2*12H2O, gamma alum Locality: synthetic","Acta Crystallographica","1967","22","","182","187","10.1107/S0365110X67000313","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9011066","15.81","","3.942","","7.895","","90","","102.72","","90","","479.964","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Hoelite","- C7 H4 O -","- C7 H4 O -","- C28 H16 O4 -","4","1","","Prakash, A.","Refinement of the crystal structure of anthraquinone","Acta Crystallographica","1967","22","","439","440","10.1107/S0365110X67000878","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011067","5.36","","11.76","","21.07999","","85.13","","90","","103.22","","1288.61","","","","","","","","","","","","El Paso County, Colorado, USA","10","A -1","-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)","2","","","Astrophyllite","- Fe6.3 K1.8 Mn0.7 Na1.2 Nb0.2 O31 Si8 Sn0.1 Ti1.6 Zr0.1 -","- Fe6.3 K1.8 Mn0.7 Na1.2 Nb0.2 O31 Si8 Sn0.1 Ti1.6 Zr0.1 -","- Fe12.6 K3.6 Mn1.4 Na2.4 Nb0.4 O62 Si16 Sn0.2 Ti3.2 Zr0.2 -","2","","","Woodrow, P. J.","The crystal structure of astrophyllite","Acta Crystallographica","1967","22","","673","678","10.1107/S0365110X67001331","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011068","8.9125","","8.9125","","8.9125","","90","","90","","90","","707.944","","","","298","","","","","","","","","1","I -4 3 m","I -4 2 3","217","Manganese","","Manganese-alpha","- Mn -","- Mn -","- Mn58 -","58","1.20833","","Gazzara, C. P.; Middleton, R. M.; Weiss, R. J.; Hall, E. O.","A refinement of the parameters of alpha manganese Localilty: synthetic Sample: at T = 298K","Acta Crystallographica","1967","22","","859","862","10.1107/S0365110X67001689","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9013391","6.6","","6.6","","8.81","","90","","90","","90","","383.764","","","","","","","","","","","","Synthetic","2","P -4 21 c","P -4 2n","114","Adamantane","","Adamantane","- C5 H8 -","- C5 H8 -","- C20 H32 -","4","0.5","","Donohue, J.; Goodman, S. H.","The crystal structure of adamantane: An example of a false minimum in least squares Note: low temperature phase","Acta Crystallographica","1967","22","3","352","354","10.1107/S0365110X67000696","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9014255","12.157","","12.157","","12.157","","90","","90","","90","","1796.71","","","","","","","","","","","","Synthetic","5","P a -3","-P 2ac 2ab 3","205","","","Alum-(K)","- Al H24 K1.3 O20 S2 -","- Al H24 K1.3 O20 S2 -","- Al4 H96 K5.2 O80 S8 -","4","0.166667","","Larson, A. C.; Cromer, D. T.","Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O","Acta Crystallographica","1967","22","","793","800","10.1107/S0365110X67001586","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9014781","12.243","","12.243","","12.243","","90","","90","","90","","1835.12","","","","","","","","","","","","Synthetic","5","P a -3","-P 2ac 2ab 3","205","","","Alum-(Na)","- Al H24 O20 Rb S2 -","- Al H24 O20 Rb S2 -","- Al4 H96 O80 Rb4 S8 -","4","0.166667","","Larson, A. C.; Cromer, D. T.","Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O","Acta Crystallographica","1967","22","","793","800","10.1107/S0365110X67001586","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9016346","12.24","","12.24","","12.24","","90","","90","","90","","1833.77","","","","","","","","","","","","Synthetic","5","P a -3","-P 2ac 2ab 3","205","","","Tschermigite","- Al H24 N O20 S2 -","- Al H24 N O20 S2 -","- Al4 H96 N4 O80 S8 -","4","0.166667","","Larson, A. C.; Cromer, D. T.","Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O","Acta Crystallographica","1967","22","","793","800","10.1107/S0365110X67001586","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""