# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-01T13:25:35+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, Section B') AND volume = 30 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
"1000161","7.515","0.005","5.724","0.005","11.985","0.006","90","","90","","90","","515.5","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rubidium pentafluorochromate(III)","","- Cr F5 Rb2 -","- Cr F5 Rb2 -","- Cr4 F20 Rb8 -","4","0.5","","Jacoboni, C; de Pape, R; Poulain, M; le Marouille, J Y; Grandjean, D","La structure cristalline de Rb~2~ Cr F~5~","Acta Crystallographica B (24,1968-38,1982)","1974","30","","2688","2691","10.1107/S0567740874007813","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001024","7.82","0.02","9.46","0.02","7.4","0.02","90","","90","","90","","547.4","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","Thallium niobium borate *","","- B2 Nb O6 Tl -","- B2 Nb O6 Tl -","- B8 Nb4 O24 Tl4 -","4","1","","Gasperin, M","Synthese et structure d'un oxyde multiple d'un type nouveau: Tl Nb B~2~ O~6~","Acta Crystallographica B (24,1968-38,1982)","1974","30","","1181","1183","10.1107/S0567740874004523","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001025","7.89","0.02","7.89","0.02","26.52","0.02","90","","90","","120","","1429.7","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Sodium tetrachlorocadmate trihydrate","","- Cd Cl4 H6 Na2 O3 -","- Cd0.9995 Cl4 H0.5 Na1.999 O3 -","- Cd5.997 Cl24 H3 Na11.994 O18 -","6","0.166667","","Boistelle, R; Pepe, G; Simon, B; Leclaire, A","Structure cristalline du sel mixte Cd Cl~2~ (Na Cl)~2~ (H~2~ O)~3~","Acta Crystallographica B (24,1968-38,1982)","1974","30","","2200","2203","10.1107/S056774087400673X","","","","","","0.148","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007028","9.485","0.002","9.419","0.002","9.379","0.002","111.73","0.02","106.25","0.02","106.8","0.02","671","","","","","","","","","","","","","4","P -1","-P 1","2","","Dicopper dilithium cyclo-hexaphosphate","","- Cu2 Li2 O18 P6 -","- Cu2 Li2 O18 P6 -","- Cu4 Li4 O36 P12 -","2","1","","Laugt, M; Durif, A","Structure cristalline de l'hexametaphosphate de cuivrelithium, C U L P~6~ O~18~","Acta Crystallographica B (24,1968-38,1982)","1974","30","","2118","2121","10.1107/S0567740874006571","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007239","8.75","0.004","12.99","0.006","8.944","0.004","90","","90","","90.45","0.01","1016.6","","","","","","","","","","","","","3","P 1 1 21/b","-P 2bc","14","","Samarium pentaphosphate","","- O14 P5 Sm -","- O14 P5 Sm -","- O56 P20 Sm4 -","4","1","","Tranqui, D; Bagieu, M; Durif, A","Structure cristalline de l'ultraphosphate de Samarium Sm P5 O14","Acta Crystallographica B (24,1968-38,1982)","1974","30","","1751","1755","10.1107/S0567740874005747","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007266","6.886","0.002","9.494","0.003","6.797","0.002","110.07","0.02","104.69","0.02","86.68","0.02","403.5","","","","","","","","","","","","","4","P -1","-P 1","2","","Disodium potassium cyclo-triphosphate","","- K Na2 O9 P3 -","- K Na2 O9 P3 -","- K2 Na4 O18 P6 -","2","1","","Tordjman, I; Durif, A; Cavero-Ghersi, C","Structure cristalline du trimetaphosphate de sodiumpotassium: N A K P3 O9","Acta Crystallographica B (24,1968-38,1982)","1974","30","","2701","2704","10.1107/S0567740874007849","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100057","8.878","","8.878","","8.878","","90","","90","","90","","699.75","","","","","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Cu5 Zn8 -","- Cu5 Zn8 -","- Cu20 Zn32 -","4","0.0833333","","Brandon, J. K.; Brizard, R. Y.; Chieh, P. C.; McMillan, R. K.; Pearson, W. B.","New refinements of the γ brass type structures Cu~5~Zn~8~, Cu~5~Cd~8~ and Fe~3~Zn~10~","Acta Crystallographica Section B","1974","30","6","1412","1417","10.1107/S0567740874004997","","","","","","","","","","","","","","","","","","","","","has coordinates","209452","2020-10-21","18:00:00",""
"2105381","7.005","","7.005","","17.75","","90","","90","","90","","870.993","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Ag8 S2 Si O4","","- Ag8 O4 S2 Si -","- Ag8 O4 S2 Si -","- Ag32 O16 S8 Si4 -","4","0.125","","Schultze-Rhonhof, E.","Die Kristallstruktur des Silbersulfidorthosilicates, Ag8 S2 Si O4","Acta Crystallographica B (24,1968-38,1982)","1974","30","","2553","2558","10.1107/S0567740874007588","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105396","7.765","","7.745","","9.076","","90","","100.3","","90","","537.034","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Pr Au6","","- Au6 Pr -","- Au6 Pr -","- Au24 Pr4 -","4","0.5","","Moreau, J.M.; Parthe, E.","The crystal structures of the rare-earth hexaaurides R Au6","Acta Crystallographica B (24,1968-38,1982)","1974","30","","1743","1748","10.1107/S0567740874005723","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105397","10.395","","10.395","","9.706","","90","","90","","90","","1048.79","","","","","","","","","","","","","2","P 42/n c m :2","-P 4ac 2ac","138","","Sm Au6","","- Au6 Sm -","- Au6 Sm -","- Au48 Sm8 -","8","0.5","","Moreau, J.M.; Flack, H.D.; Parthe, E.","Refinement of Sm Au6","Acta Crystallographica B (24,1968-38,1982)","1974","30","","820","821","10.1107/S0567740874003797","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105420","5.231","","5.231","","5.231","","69.5","","69.5","","69.5","","121.285","","","","","","","","","","","","","2","R -3 m :R","-P 3* 2","166","","B12 (P1.36 B0.64)","","- B12.64 P1.36 -","- B12.64 P1.36 -","- B12.64 P1.36 -","1","0.0833333","","Amberger, E.; Rauh, P.A.","Struktur des borreichen Borphosphids","Acta Crystallographica B (24,1968-38,1982)","1974","30","","2549","2553","10.1107/S0567740874007576","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105428","6.213","","8.521","","9.17","","90","","90","","90","","485.469","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Cs2 O (B2 O3)3","","- B6 Cs2 O10 -","- B6 Cs2 O10 -","- B12 Cs4 O20 -","2","0.5","","Krogh-Moe, J.","Refinement of the crystal structure of cesium triborate, Cs2 O (B2 O3)3","Acta Crystallographica B (24,1968-38,1982)","1974","30","","1178","1180","10.1107/S0567740874004511","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105437","7.324","","7.324","","4.181","","90","","90","","90","","224.273","","","","","","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","La B4","","- B4 La -","- B4 La -","- B16 La4 -","4","0.25","","Kato, K.; Kawai, S.; Oshima, C.; Kawada, I.","Lanthanum tetraboride","Acta Crystallographica B (24,1968-38,1982)","1974","30","","2933","2934","10.1107/S0567740874008570","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2106123","9.517","","16.067","","16.995","","90","","95.09","","90","","2588.45","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Ga30.75 Mo6 -","- Ga30.74 Mo6 -","- Ga122.96 Mo24 -","4","1","","Yvon, K.","The crystal structure of Mo6 Ga31, a hypersymmetrical structure solved by direct methods","Acta Crystallographica B (24,1968-38,1982)","1974","30","","853","861","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106154","4.9275","","4.9275","","48.7434","","90","","90","","120","","1024.94","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Ce5 Co19 -","- Ce5 Co19 -","- Ce15 Co57 -","3","0.0833333","","Khan, Y.","The crystal structure of R5 Co19","Acta Crystallographica B (24,1968-38,1982)","1974","30","","1533","1537","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106656","4.621","","12.644","","6.194","","90","","99.3","","90","","357.146","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sn P O3 F","","- F O3 P Sn -","- F O3 P Sn -","- F4 O12 P4 Sn4 -","4","1","","Berndt, A.F.","The crystal structure of Sn P O3 F","Acta Crystallographica B (24,1968-38,1982)","1974","30","","529","530","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106657","9.519","","11.309","","15.049","","90","","109.5","","90","","1527.11","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N H4)6 Mo8 O27 (H2 O)4","","- H32 Mo8 N6 O31 -","- Mo8 N6 O31 -","- Mo16 N12 O62 -","2","0.5","","Boeschen, I.; Buss, B.; Krebs, B.","Die Kristallstruktur des polymeren Oktamolybdats (N H4)6 Mo8 O27 (H2 O)4","Acta Crystallographica B (24,1968-38,1982)","1974","30","","48","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","154143","2020-10-21","18:00:00",""
"2106661","10.74","","10.74","","10.2","","90","","90","","120","","1018.92","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Ba Cd4.43 -","- Ba Cd4.42857 -","- Ba7 Cd31 -","7","0.291667","","Bruzzone, G.; Fornasini, M.L.","The crystal structure of Ba Cd4.43","Acta Crystallographica B (24,1968-38,1982)","1974","30","","317","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106664","29.571","","7.818","","19.581","","90","","116.69","","90","","4044.52","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ag C (C N)2 N O2","","- C3 Ag N3 O2 -","- C3 Ag N3 O2 -","- C96 Ag32 N96 O64 -","32","4","","Chow, Y.M.; Britton, D.","The structure of silver dicyanonitromethanide, Ag C (C N) 2 N O2","Acta Crystallographica B (24,1968-38,1982)","1974","30","","147","151","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106665","14.352","","14.352","","4.852","","90","","90","","120","","865.518","","","","","","","","","","","","","7","P -3 m 1","-P 3 2""","164","","Na6 (Si15.96 Al1.98 (Be (O H)0.4 F0.6)2 O39) (H2 O)1.56","","- Al1.98 Be2 F1.2 H3.92 Na6 O41.36 Si15.96 -","- Al1.98 Be2 F1.2 Na6 O41.36 Si15.96 -","- Al1.98 Be2 F1.2 Na6 O41.36 Si15.96 -","1","0.0833333","","Coda, A.; Ungaretti, L.; Guista, A.D.","The crystal structure of leifite, Na6 Si16 Al2 (Be O H)2 O39 (H2 O)1.5","Acta Crystallographica B (24,1968-38,1982)","1974","30","","396","401","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106674","9.694","","10.031","","12.048","","90","","108.1","","90","","1113.58","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K4 P2 O7 (H2 O)3","","- H6 K4 O10 P2 -","- H6 K4 O10 P2 -","- H24 K16 O40 P8 -","4","1","","Dumas, Y.; Galigne, J.L.","Structure cristalline du pyrophsphate tetrapotassique trihydrate, K4 P2 O7 (H2 O)3","Acta Crystallographica B (24,1968-38,1982)","1974","30","","390","395","","","","","","","","","","","","","","","","","","","","","","has coordinates","154471","2020-10-21","18:00:00",""
"2106677","9.287","","7.691","","8.01","","90","","102.28","","90","","559.035","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Zn As2","","- As2 Zn -","- As2 Zn -","- As16 Zn8 -","8","2","","Fleet, M.E.","The crystal structure of Zn As2","Acta Crystallographica B (24,1968-38,1982)","1974","30","","122","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106679","13.266","","10.574","","7.94","","90","","90","","90","","1113.78","","","","","","","","","","","","","6","P n n m","-P 2 2n","58","","((N H3)5 Co O2 Co (N H3)5) (S C N)4","","- C4 H30 Co2 N14 O2 S4 -","- C4 H30 Co2 N14 O2 S4 -","- C8 H60 Co4 N28 O4 S8 -","2","0.25","","Fronczek, F.R.; Schaefer, W.P.; Marsh, R.E.","A reinvestigation of the crystal structure of decaammine mue-peroxodicobalt tetrathiocyanate","Acta Crystallographica B (24,1968-38,1982)","1974","30","","117","121","","","","","","","","","","","","","","","","","","","","","","has coordinates","154880","2020-10-21","18:00:00",""
"2106690","11.793","","6.548","","12.68","","90","","115.52","","90","","883.625","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Co Mo2 S4 -","- Co Mo2 S4 -","- Co8 Mo16 S32 -","8","2","","Guillevic, J.; Grandjean, D.; le Marouille, J.Y.","Etude structurale de combinaisons sulfurees et seleniees du molybdene. IV. Structures cristallines de Co M O S4 et de Fe M O S4.","Acta Crystallographica B (24,1968-38,1982)","1974","30","","111","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106691","11.781","","6.539","","13.008","","90","","114.37","","90","","912.798","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Fe Mo2 S4 -","- Fe Mo2 S4 -","- Fe8 Mo16 S32 -","8","2","","Guillevic, J.; le Marouille, J.Y.; Grandjean, D.","Etude structurale de combinaisons sulfurees et seleniees du molybdene. IV. Structures cristallines de Co M O S4 et de Fe M O S4","Acta Crystallographica B (24,1968-38,1982)","1974","30","","111","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106693","11.172","","8.533","","7.284","","90","","90","","90","","694.389","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Nd (P3 O9)","","- Nd O9 P3 -","- Nd O9 P3 -","- Nd4 O36 P12 -","4","0.5","","Hong, H.Y.-P.","Crystal structures of neodymium metaphosphate (Nd P3 O9) and ultraphosphate (Nd P5 O14)","Acta Crystallographica B (24,1968-38,1982)","1974","30","","468","474","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106694","8.771","","9.012","","13.057","","90","","89.58","","90","","1032.05","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Nd (P5 O14)","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Hong, H.Y.-P.","Crystal structures of neodymium metaphosphate (Nd P3 O9) and ultraphosphate (Nd P5 O14)","Acta Crystallographica B (24,1968-38,1982)","1974","30","","468","474","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106696","7.452","","12.767","","11.845","","90","","113.95","","90","","1029.9","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K3 (N Se O2)3","","- K3 N3 O6 Se3 -","- K3 N3 O6 Se3 -","- K12 N12 O24 Se12 -","4","1","","Kocman, V.; Rucklidge, J.C.","Crystal structure of potassium triselenylimide, K3 M(Nm Se Mo2 M K3 (N Se O2)3","Acta Crystallographica B (24,1968-38,1982)","1974","30","","6","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","155176","2020-10-21","18:00:00",""
"2106699","17.0689","","6.905","","14.752","","90","","110.34","","90","","1630.27","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Na4 P O3 N H P O3 (H2 O)10","","- H21 N Na4 O16 P2 -","- N Na4 O16 P2 -","- N4 Na16 O64 P8 -","4","0.5","","Larsen, M.L.; Willett, R.D.","Tetrasodium imidodiphosphate decahydrate","Acta Crystallographica B (24,1968-38,1982)","1974","30","","522","524","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106702","9.25","","3.776","","11.89","","90","","90","","90","","415.294","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cd Cl2 (H2 O)","","- Cd Cl2 H2 O -","- Cd Cl2 O -","- Cd4 Cl8 O4 -","4","0.5","","Leligny, H.; Monier, J.C.","Structure cristalline de Cd Cl2 H2 O","Acta Crystallographica B (24,1968-38,1982)","1974","30","","305","309","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106717","32.69","","3.327","","19.36","","90","","139.9","","90","","1356.26","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Ti8 S3","","- S3 Ti8 -","- S3 Ti8 -","- S24 Ti64 -","8","1","","Owens, J.P.; Franzen, H.F.","Preparation and structure determination of Ti8 S3","Acta Crystallographica B (24,1968-38,1982)","1974","30","","427","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","155649","2020-10-21","18:00:00",""
"2106727","14.886","","9.337","","8.23","","90","","124.4","","90","","943.841","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Hg2 (C F3 C O2)2","","- C4 F6 Hg2 O4 -","- C4 F6 Hg2 O4 -","- C16 F24 Hg8 O16 -","4","0.5","","Sikirica, M.; Grdenic, D.","The crystal structure of mercury(I) trifluoroacetate","Acta Crystallographica B (24,1968-38,1982)","1974","30","","144","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","155968","2020-10-21","18:00:00",""
"2106732","6.792","","7.416","","5.558","","108.46","","125.29","","88.43","","212.333","","","","","","","","","","","","","3","P -1","-P 1","2","","D2 U3 O10","","- D2 O10 U3 -","- D2 O10 U3 -","- D2 O10 U3 -","1","0.5","","Taylor, J.C.; Wilson, P.W.","The deuterium location in deuterium triuranate, D2 U3 O10, by neutron diffraction","Acta Crystallographica B (24,1968-38,1982)","1974","30","","151","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","156086","2020-10-21","18:00:00",""
"2106733","5.828","","8.534","","5.557","","90","","97.79","","90","","273.833","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","(U O2) Cl2 (H2 O)","","- Cl2 H2 O3 U -","- Cl2 H2 O3 U -","- Cl4 H4 O6 U2 -","2","0.5","","Taylor, J.C.; Wilson, P.W.","The structure of uranyl chloride monohydrate by neutron diffraction and the disorder of the water molecule","Acta Crystallographica B (24,1968-38,1982)","1974","30","","169","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106734","5.847","","8.596","","5.543","","90","","97.51","","90","","276.206","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","U O2 Cl2 D2 O","","- Cl2 D2 O3 U -","- Cl2 D2 O3 U -","- Cl4 D4 O6 U2 -","2","0.5","","Taylor, J.C.; Wilson, P.W.","The structure of Uranyl Chloride Monohydrate by neutron diffraction and the disorder of the water molecule","Acta Crystallographica B (24,1968-38,1982)","1974","30","","169","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106735","3.57","","3.57","","7.558","","90","","90","","90","","96.326","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Ca Ga N -","- Ca Ga N -","- Ca2 Ga2 N2 -","2","0.125","","Verdier, P.; l'Haridon, P.; Marchand, R.; Maunaye, M.","Etude structurale de Ca Ga N","Acta Crystallographica B (24,1968-38,1982)","1974","30","","226","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106996","8.217","","8.217","","8.217","","90","","90","","90","","554.804","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","Ba4 Li (Sb O4)3","","- Ba4 Li O12 Sb3 -","- Ba4 Li0.99 O12 Sb3.01 -","- Ba8 Li1.98 O24 Sb6.02 -","2","0.0208333","","Jacobson, A.J.; Collins, B.M.; Fender, B.E.F.","A powder neutron-diffraction determination of the structure of Ba4 Sb3 Li O12: The preparation and structure of the perovskite-related compounds Ba4 M3 Li O12 (M = Sb, Bi) and Ba5 M3 Li2 O15-x (M = Te, U)","Acta Crystallographica B (24,1968-38,1982)","1974","30","","1705","1711","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106997","8.237","","8.237","","8.237","","90","","90","","90","","558.865","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba4 Te2.4 Li1.6 O12","","- Ba4 Li1.6 O12 Te2.4 -","- Ba4 Li1.6 O12 Te2.4 -","- Ba8 Li3.2 O24 Te4.8 -","2","0.0104167","","Jacobson, A.J.; Fender, B.E.F.; Collins, B.M.","A powder neutron-diffraction determination of the structure of Ba4 Sb3 Li O12: The preparation and structure of the perovskite-related compounds Ba4 M3 Li O12 (M = Sb, Bi) and Ba5 M3 Li2 O15-x (M = Te, U)","Acta Crystallographica B (24,1968-38,1982)","1974","30","","1705","1711","","","","","","","","","","","","","","","","","","","","","","has coordinates","165632","2020-10-21","18:00:00",""
"2107169","6.64","","6.64","","39.75","","90","","90","","120","","1517.76","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","","","- Na35 S6 Sn2 -","- Na35 S6 Sn2 -","- Na35 S6 Sn2 -","1","0.0833333","","Mark, W.; Lindqvist, O.; Jumas, J.C.; Philippot, E.","The OD structure of Na2 Sn S3. Determination and refinement of an MDO structure","Acta Crystallographica B (24,1968-38,1982)","1974","30","","2620","2628","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107215","5.984","","5.984","","11.85","","90","","90","","120","","367.479","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- B6 P0.79 -","- B6 P0.79 -","- B36 P4.74 -","6","0.166667","","Amberger, E.; Rauh, P.A.","Struktur des borreichen Borphosphids","Acta Crystallographica B (24,1968-38,1982)","1974","30","","2549","2553","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107231","16.65","","14.082","","17.82","","90","","143.3","","90","","2496.98","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","La3 Mn S6","","- La2.98364 Mn S5.45455 -","- La2.98364 Mn S5.45455 -","- La32.82 Mn11 S60 -","11","2.75","","Collin, G.; Laruelle, P.","Structure cristalline de La32,66 M11 S6 (M= Mn, Fe)","Acta Crystallographica B (24,1968-38,1982)","1974","30","","1134","1139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107433","15.25","","17.8","","3.996","","90","","90","","90","","1084.71","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","U O Cl2","","- Cl2 O U -","- Cl2 O U -","- Cl24 O12 U12 -","12","1.5","","Taylor, J.C.; Wilson, P.W.","The Structure of U O Cl2 by Neutron Diffraction","Acta Crystallographica B (24,1968-38,1982)","1974","30","","175","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000015","8.599","0.005","9.348","0.003","5.618","0.002","90","","90","","90","","451.59","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","","Kistenmacher, T. J.; Rand, G. A.; Marsh, R. E.","Refinements of the crystal structures of DL-serine and anhydrous L-serine","Acta Crystallographica Section B","1974","30","11","2573","2578","10.1107/S0567740874007618","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000084","11.319","0.002","22.803","0.004","7.381","0.002","90","","90","","90","","1905.09","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 F O4 -","- C22 H29 F O4 -","- C88 H116 F4 O16 -","4","1","","Dupont, L.; Dideberg, O.; Campsteyn, H.","Structure cristalline de la l7-désoxyméthasone, C~22~H~29~O~4~F","Acta Crystallographica Section B","1974","30","2","514","516","10.1107/S0567740874003086","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9007587","4.911","","12.464","","5.412","","90","","90","","90","","331.272","","","","","","","","","","","","Synthetic","2","P c c n","-P 2ab 2ac","56","","","Valentinite","- O3 Sb2 -","- O3 Sb2 -","- O12 Sb8 -","4","0.5","","Svensson, C.","The crystal structure of orthorhombic antimony trioxide, Sb2O3","Acta Crystallographica, Section B","1974","30","","458","461","10.1107/S0567740874002986","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007588","7.256","","7.9503","","7.8559","","105.096","","92.945","","96.952","","432.702","","","","","","","","","","","","Chuquicamata, Chile","4","P -1","-P 1","2","","","Bellingerite","- Cu3 H4 I6 O20 -","- Cu3 H4 I6 O20 -","- Cu3 H4 I6 O20 -","1","0.5","","Ghose, S.; Wan, C.","Structural chemistry of copper and zinc minerals. II. Stereochemistry of copper(II) and iodine(V) in bellingerite, 3Cu(IO3)2.2H2O","Acta Crystallographica, Section B","1974","30","","965","974","10.1107/S0567740874004110","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007589","13.511","","13.511","","7.462","","90","","90","","120","","1179.67","","","","","","","","","","","","Candoglia, Italy","9","P -6 2 m","P -6 -2","189","","","Wenkite","- Al9 Ba3.5 Ca5.5 H2 K0.5 Na0.5 O55 S3 Si11 -","- Al9 Ba3.5 Ca5.5002 H2 K0.5 Na0.4998 O55 S3 Si11 -","- Al9 Ba3.5 Ca5.5002 H2 K0.5 Na0.4998 O55 S3 Si11 -","1","0.0833333","","Merlino, S.","The crystal structure of wenkite","Acta Crystallographica, Section B","1974","30","","1262","1266","10.1107/S056774087400464X","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45",""
"9007590","4.264","","4.264","","30.458","","90","","90","","120","","479.586","","","","302.15","","","","","","","","Synthetic","2","R -3 m :H","-R 3 2""","166","","","Tellurantimony","- Sb2 Te3 -","- Sb2 Te3 -","- Sb6 Te9 -","3","0.0833333","","Anderson, T. L.; Krause, H. B.","Refinement of the Sb2Te3 and Sb2Te3Se structures and their relationship to nonstoichiometric Sb2Te(3-y)Se(y) compounds Sample: T = 29 C","Acta Crystallographica, Section B","1974","30","","1307","1310","10.1107/S0567740874004729","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007591","4.188","","4.188","","29.937","","90","","90","","120","","454.729","","","","302.15","","","","","","","","Synthetic","3","R -3 m :H","-R 3 2""","166","","","","- Sb2 Se Te2 -","- Sb2 Se Te2 -","- Sb6 Se3 Te6 -","3","0.0833333","","Anderson, T. L.; Krause, H. B.","Refinement of the Sb2Te3 and Sb2Te3Se structures and their relationship to nonstoichiometric Sb2Te(3-y)Se(y) compounds Sample: T = 29 C","Acta Crystallographica, Section B","1974","30","","1307","1310","10.1107/S0567740874004729","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007592","11.233","","10.142","","7.097","","90","","97.37","","90","","801.847","","","","","","","","","","","","Corrego Frio pegmatite, Minas Gerais, Brazil","5","P 1 21/n 1","-P 2yn","14","","","Brazilianite","- Al3 H4 Na O12 P2 -","- Al3 H4 Na O12 P2 -","- Al12 H16 Na4 O48 P8 -","4","1","","Gatehouse, B. M.; Miskin, B. K.","The crystal structure of brazilianite, NaAl3(PO4)2(OH)4","Acta Crystallographica, Section B","1974","30","5","1311","1317","10.1107/S0567740874004730","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007593","8.442","","13.025","","9.356","","90","","124.98","","90","","842.915","","","","","","","","","","","","Synthetic","1","P 1 2/c 1","-P 2yc","13","","","Rosickyite","- S8 -","- S8 -","- S32 -","4","1","","Watanabe, Y.","The crystal structure of monoclinic gamma-sulfur","Acta Crystallographica, Section B","1974","30","","1396","1401","10.1107/S0567740874004961","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007594","17.63","","6.734","","23.47","","90","","90.6","","90","","2786.22","","","","","","","","","","","","Synthetic","4","P 1 21/n 1","-P 2yn","14","","","Guerinite","- As5 Ca6.25 H20 O30 -","- As5 Ca6.25 H20 O30 -","- As20 Ca25 H80 O120 -","4","1","","Catti, M.; Ferraris, G.","Crystal structure of Ca5(HAsO4)2(AsO4)2*9H2O (guerinite)","Acta Crystallographica, Section B","1974","30","","1789","1794","10.1107/S0567740874005814","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007595","5.627","","11.6486","","4.9973","","90","","90","","90","","327.556","","","","","","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- O4 Sn W -","- O4 Sn W -","- O16 Sn4 W4 -","4","0.5","","Jeitschko, W.; Sleight, A. W.","Alpha stannous tungstate: Properties, crystal structure and relationship to ferroelectric SbTaO4 type compounds","Acta Crystallographica, Section B","1974","30","","2088","2094","10.1107/S0567740874006534","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007596","8.3479","","10.6068","","6.4447","","98.846","","108.981","","105.581","","501.239","","","","","","","","","","","","California, USA","4","P -1","-P 1","2","","","Kurnakovite","- B3 H15 Mg O13 -","- B3 H15 Mg O13 -","- B6 H30 Mg2 O26 -","2","1","","Corazza, E.","The crystal structure of kurnakovite: a refinement","Acta Crystallographica, Section B","1974","30","","2194","2199","10.1107/S0567740874006728","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007597","27.755","","27.755","","27.755","","90","","90","","90","","21380.8","","","","","","","","","","","","Synthetic","5","F d -3 c :2","-F 4ud 2vw 3","228","","","Natrophosphate","- F H28 Na7 O27 P2 -","- F H26 Na7 O27 P2 -","- F32 H832 Na224 O863.999 P64 -","32","0.166667","","Baur, W. H.; Tillmanns, E.","Salt hydrates. X. The crystal structure determinations of heptasodium fluoride bisphosphate 19-hydrate and heptasodium fluoride bisarsenate 19-hydrate and the computer simulation of the isomorphous vanadate salt Note: not all H were located Locality: synthetic","Acta Crystallographica, Section B","1974","30","","2218","2224","10.1107/S0567740874006777","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9007598","28.12","","28.12","","28.12","","90","","90","","90","","22235.5","","","","","","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- As2 F H28 Na7 O27 -","- As2 F H38 Na7 O27 -","- As64 F32 H1216 Na224 O863.999 -","32","0.166667","","Baur, W. H.; Tillmanns, E.","Salt hydrates. X. The crystal structure determination of heptasodium fluoride bisphosphate 19-hydrate and heptasodium fluoride bisarsenate 19-hydrate and the computer simulation of the isomorphous vanadate salt","Acta Crystallographica, Section B","1974","30","","2218","2224","10.1107/S0567740874006777","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9007599","13.767","","5.414","","4.912","","81.42","","106.82","","130.33","","266.795","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- Mg2 O7 V2 -","- Mg2 O7 V2 -","- Mg4 O14 V4 -","2","1","","Gopal, R.; Calvo, C.","Crystal structure of magnesium divanadate, Mg2V2O7 Note: There is likely a minor typo in coordinates of O6 because bond lengths cannot be reproduced","Acta Crystallographica, Section B","1974","30","","2491","2493","10.1107/S0567740874007400","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007600","6.594","","8.38","","9.47","","90","","100.17","","90","","515.069","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Co2 O7 V2 -","- Co2 O7 V2 -","- Co8 O28 V8 -","4","1","","Sauerbrei, E. E.; Faggiani, R.; Calvo, C.","Cobalt vanadate, Co2V2O7, and nickel vanadate, Ni2V2O7","Acta Crystallographica, Section B","1974","30","","2907","2909","10.1107/S0567740874008466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007601","6.515","","8.303","","9.35","","90","","99.86","","90","","498.309","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ni2 O7 V2 -","- Ni2 O7 V2 -","- Ni8 O28 V8 -","4","1","","Sauerbrei, E. E.; Faggiani, R.; Calvo, C.","Cobalt vanadate, Co2V2O7, and nickel vanadate, Ni2V2O7 Note: x-coordinate of O7 altered to reproduce reported bond lengths","Acta Crystallographica, Section B","1974","30","","2907","2909","10.1107/S0567740874008466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9011147","10.636","","6.9187","","6.4359","","90.46","","97.87","","109.2","","442.331","","","","","","","","","","","","guano deposits","5","P -1","-P 1","2","","","Stercorite","- H9 N Na O8 P -","- H9 N Na O8 P -","- H18 N2 Na2 O16 P2 -","2","1","","Ferraris, G.; Franchini-Angela M","Hydrogen bonding in the crystalline state. Crystal structure and twinning of NaNH4HPO4*4H2O (Stercorite)","Acta Crystallographica, Section B","1974","30","","504","510","10.1107/S0567740874003062","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011148","6.3313","","10.1178","","6.5029","","90","","114.407","","90","","379.341","","","","","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","Hydrohalite","- Cl H4 Na O2 -","- Cl H4 Na O2 -","- Cl4 H16 Na4 O8 -","4","1","","Klewe, B.; Pedersen, B.","The crystal structure of sodium chloride dihydrate","Acta Crystallographica, Section B","1974","30","","2363","2371","10.1107/S0567740874007138","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011149","9.865","","14.3","","8.668","","90","","124.2","","90","","1011.35","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","Phillipsite-Ca","- Al2.672 Ca0.82 H12 K O22 Si5.328 -","- Al2.672 Ca0.82 H12 K O22 Si5.328 -","- Al5.344 Ca1.64 H24 K2 O44 Si10.656 -","2","0.5","","Rinaldi, R.; Pluth, J. J.; Smith, J. V.","Zeolites of the phillipsite family. Refinement of the crystal structure of phillipsite and harmotome","Acta Crystallographica, Section B","1974","30","","2426","2433","10.1107/S0567740874007242","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011150","9.879","","14.139","","8.693","","90","","124.81","","90","","996.944","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","Harmotome","- Al2.48 Ba Ca0.3 H12 O22 Si5.52 -","- Al2.48 Ba Ca0.3 H12 O22 Si5.52 -","- Al4.96 Ba2 Ca0.6 H24 O44 Si11.04 -","2","0.5","","Rinaldi, R.; Pluth, J. J.; Smith, J. V.","Zeolites of the phillipsite family. Refinement of the crystal structure of phillipsite and harmotome","Acta Crystallographica, Section B","1974","30","","2426","2433","10.1107/S0567740874007242","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9013891","4.3939","","4.3939","","7.2248","","90","","90","","90","","139.485","","","","","","","","","","","","Synthetic","3","P 4/n m m :2","-P 4a 2a","129","","","Zhangpeishanite","- Ba Cl F -","- Ba Cl F -","- Ba2 Cl2 F2 -","2","0.125","","Sauvage, M.","Refinement of the structures of SrFCl and BaFCl Note: matlockite structure","Acta Crystallographica, Section B","1974","30","","2786","2787","10.1107/S0567740874008132","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9013892","4.1259","","4.1259","","6.9579","","90","","90","","90","","118.445","","","","","","","","","","","","Synthetic","3","P 4/n m m :2","-P 4a 2a","129","","","","- Cl F Sr -","- Cl F Sr -","- Cl2 F2 Sr2 -","2","0.125","","Sauvage, M.","Refinement of the structures of SrFCl and BaFCl Note: matlockite structure","Acta Crystallographica, Section B","1974","30","","2786","2787","10.1107/S0567740874008132","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014545","15.1725","","5.6283","","3.711","","90","","104.631","","90","","306.626","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","","Kalicinite","- C H K O3 -","- C H K O3 -","- C4 H4 K4 O12 -","4","1","","Thomas, J. O.; Tellgren, R.; Olovsson, I.","Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 298 K","Acta Crystallographica, Section B","1974","30","","1155","1166","10.1107/S0567740874004481","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014660","15.1948","","5.6307","","3.7107","","90","","104.567","","90","","307.272","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","","Kalicinite","- C D K O3 -","- C D K O3 -","- C4 D4 K4 O12 -","4","1","","Thomas, J. O.; Tellgren, R.; Olovsson, I.","Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 298 K","Acta Crystallographica, Section B","1974","30","","1155","1166","10.1107/S0567740874004481","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014844","15.17","","5.6183","","3.6885","","90","","104.297","","90","","304.633","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","","Kalicinite","- C D K O3 -","- C D K O3 -","- C4 D4 K4 O12 -","4","1","","Thomas, J. O.; Tellgren, R.; Olovsson, I.","Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 219 K","Acta Crystallographica, Section B","1974","30","","1155","1166","10.1107/S0567740874004481","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9016039","15.115","","5.6044","","3.6609","","90","","103.98","","90","","300.931","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","","Kalicinite","- C H K O3 -","- C H K O3 -","- C4 H4 K4 O12 -","4","1","","Thomas, J. O.; Tellgren, R.; Olovsson, I.","Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 95 K Note z-coordinate of O3 has been modified with a negative sign","Acta Crystallographica, Section B","1974","30","","1155","1166","10.1107/S0567740874004481","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016304","15.1538","","5.6186","","3.6868","","90","","104.356","","90","","304.104","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","","Kalicinite","- C H K O3 -","- C H K O3 -","- C4 H4 K4 O12 -","4","1","","Thomas, J. O.; Tellgren, R.; Olovsson, I.","Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 219 K","Acta Crystallographica, Section B","1974","30","","1155","1166","10.1107/S0567740874004481","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016501","15.1311","","5.6054","","3.6644","","90","","103.953","","90","","301.629","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","","Kalicinite","- C D K O3 -","- C D K O3 -","- C4 D4 K4 O12 -","4","1","","Thomas, J. O.; Tellgren, R.; Olovsson, I.","Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 95 K","Acta Crystallographica, Section B","1974","30","","1155","1166","10.1107/S0567740874004481","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""