# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T03:59:51+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 C (39,1983-)') AND volume = 39 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
"1001255","18.315","0.003","24.506","0.004","7.296","0.002","90","","90","","90","","3274.6","","","","","","","","","","","","","3","A m a m","-A 2 2a","63","","Caesium niobium oxide (3/5.96/16.4)","","- Cs3 Nb5.96 O16.4 -","- Cs3 Nb5.96 O16.4 -","- Cs24 Nb47.68 O131.2 -","8","0.5","","Saine, M C; Gasperin, M","Synthese et Structure d'un Niobate de Cesium non Stoechiometrique, Cs~3~ Nb~5.96~ O~16.4~","Acta Crystallographica C (39,1983-)","1983","39","","1153","1156","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001843","8.022","0.005","8.022","0.005","16.51299","0.009","90","","90","","120","","920.3","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Sodium trineptunium(IV) fluoride","","- F13 Na Np3 -","- F13 Na Np3 -","- F52 Na4 Np12 -","4","0.166667","","Cousson, A; Abazli, H; Pages, M; Gasperin, M","Fluorure de neptunium et de sodium: Na Np3 F13","Acta Crystallographica C (39,1983-)","1983","39","","318","320","","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001844","8.455","0.008","8.858","0.009","8.396","0.01","113.83","","116.64","","58.03","","465.2","","","","","","","","","","","","","4","P 1","P 1","1","","Trineptunium(IV) fluoride hydrate","","- F12 H2 Np3 O -","- F12 H2 Np3 O -","- F24 H4 Np6 O2 -","2","2","","Cousson, A; Abazli, H; Pages, M; Gasperin, M","Tetrafluorure de Neptunium Hydrate, Np3 F12 1. 1H H2 O","Acta Crystallographica C (39,1983-)","1983","39","","425","427","","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007094","15.23","0.01","15.23","0.01","15.23","0.01","90","","90","","90","","3532.6","","","","","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Ammonium cerium cyclo-tetraphosphate","","- Ce H4 N O12 P4 -","- Ce H5.33333 N O12 P4 -","- Ce12 H64 N12 O144 P48 -","12","0.25","","Rzaigui, M; Averbuch-Pouchot, M T; Durif, A","Affinement de la Structure du Tetrametaphosphate d'Ammonium et de Cerium, Ce N H~4~ P~4~ O~12~. Relation Entre la Forme Cubique des Composes du Type Ln M^I^ P~4~ O~12~ et le Tetrametaphosphate d'Aluminium Al~4~ (P~4~ O~12~)~3~","Acta Crystallographica C (39,1983-)","1983","39","","1612","1613","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007095","9.734","0.002","8.889","0.002","4.963","0.001","90","","108.49","0.05","90","","407.3","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Zinc catena-phosphate","","- O6 P2 Zn -","- O6 P2 Zn -","- O24 P8 Zn4 -","4","0.5","","Averbuch-Pouchot, M T; Durif, A; Bagieu-Beucher, M","Structure d'un Polyphosphate de Zinc, Zn (P O~3~)~2~","Acta Crystallographica C (39,1983-)","1983","39","","25","26","","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007096","15.98","0.08","7.226","0.005","6.253","0.005","109.49","0.06","84.34","0.07","101.83","0.07","665.9","","","","","","","","","","","","","5","P -1","-P 1","2","","Potassium hydrogendiphosphate (telluric acid) hydrate","","- H9 K3 O14 P2 Te -","- H9 K3 O14 P2 Te -","- H18 K6 O28 P4 Te2 -","2","1","","Averbuch-Pouchot, M T; Durif, A","Structure of a potassium diphosphate tellurate hydrate (K~3~ H P~2~ O~7~) (Te (O H)~6~) (H~2~ O)","Acta Crystallographica C (39,1983-)","1983","39","","27","28","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007098","7.788","0.005","7.809","0.005","7.129","0.005","116.69","0.05","103.41","0.05","81.94","0.05","376.5","","","","","","","","","","","","","4","P -1","-P 1","2","","Disodium hydrogencyclo-triphosphate","","- H Na2 O9 P3 -","- H Na2 O9 P3 -","- H2 Na4 O18 P6 -","2","1","","Averbuch-Pouchot, M T; Guitel, J C; Durif, A","Structure d'un Trimetaphosphate Acide de Sodium: Na~2~ H P~3~ O~9~","Acta Crystallographica C (39,1983-)","1983","39","","809","810","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007099","9.838","0.005","9.838","0.005","5.003","0.003","90","","90","","90","","484.2","","","","","","","","","","","","","4","P 4/n b m :2","-P 4a 2b","125","","Strontium disodium cyclo-tetraphosphate","","- Na2 O12 P4 Sr -","- Na2 O12 P4 Sr -","- Na4 O24 P8 Sr2 -","2","0.125","","Averbuch-Pouchot, M T; Durif, A","Structure d'un Tetrametaphosphate de Sodium-Strontium: Sr Na~2~ P~4~ O~12~","Acta Crystallographica C (39,1983-)","1983","39","","811","812","","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1007100","18.82","0.004","10.89","0.03","13.925","0.003","90","","90","","90","","2853.9","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Silver divanadate","","- Ag4 O7 V2 -","- Ag4 O7 V2 -","- Ag64 O112 V32 -","16","2","","Masse, R; Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Chemical Preparation and Crystal Structure of Silver Pyrovanadate, Ag~4~ V~2~ O~7~","Acta Crystallographica C (39,1983-)","1983","39","","1608","1610","","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007206","7.332","0.005","7.663","0.005","14.408","0.008","90","","90","","90","","809.5","","","","","","","","","","","","","5","I 2 m m","I -2 2","44","","Disodium strontium cyclo-tetraphosphate hexahydrate","","- H12 Na2 O18 P4 Sr -","- H12 Na2 O18 P4 Sr -","- H24 Na4 O36 P8 Sr2 -","2","0.25","","Durif, A; Averbuch-Pouchot, M T; Guitel, J C","Structure of Disodium Strontium Tetrametaphosphate Hexahydrate, Sr Na~2~ P~4~ O~12~ (H~2~ O)~6~","Acta Crystallographica C (39,1983-)","1983","39","","812","813","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","186636","2020-10-21","18:00:00",""
"1008202","11.16","","11.16","","17.86","","90","","90","","120","","1926.4","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Hexaammonium cyclo-triphosphate telluric acid","","- H30 N6 O24 P6 Te -","- H30 N6 O24 P6 Te -","- H90 N18 O72 P18 Te3 -","3","0.166667","","Boudjada, N; Boudjada, A; Guitel, J C","Structure du Trimetaphosphate-Tellurate d'Ammonium, 2(N H~4~)~3~ P~3~ O~9~ * Te (O H)~6~","Acta Crystallographica C (39,1983-)","1983","39","","656","658","","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008218","15.43","0.01","5.512","0.005","13.72","0.01","90","","108.53","0.05","90","","1106.4","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Lithium potassium catena-phosphate","","- K Li O6 P2 -","- K Li O6 P2 -","- K8 Li8 O48 P16 -","8","2","","El Horr, N; Bagieu, M; Tordjman, I","Structure d'un polyphosphate mixte de lithium et de potassium, Li K (P O~3~)~2~","Acta Crystallographica C (39,1983-)","1983","39","","1597","1599","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100078","9.324","0.002","14.461","0.004","6.862","0.001","90","","90","","90","","925.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Magnesium thiosulfate hexahydrate","","- H12 Mg O9 S2 -","- H12 Mg O9 S2 -","- H48 Mg4 O36 S8 -","4","0.5","","Elerman, Y; Bats, J W; Fuess, H","Deformation Density in Complex Anions. IV. Magnesium Thiosulfate Hexahydrate, Mg S~2~ O~3~ * 6H2 O","Acta Crystallographica C (39,1983-)","1983","39","","515","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100079","9.324","0.002","14.461","0.004","6.862","0.001","90","","90","","90","","925.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Magnesium thiosulfate hexahydrate","","- H12 Mg O9 S2 -","- H12 Mg O9 S2 -","- H48 Mg4 O36 S8 -","4","0.5","","Elerman, Y; Bats, J W; Fuess, H","Deformation Density in Complex Anions. IV. Magnesium Thiosulfate Hexahydrate, Mg S~2~ O~3~ * 6H2 O","Acta Crystallographica C (39,1983-)","1983","39","","515","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2018857","7.518","","12.809","","5.904","","90","","92.25","","90","","568.105","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Pb Ag Sb S3","","- Ag Pb S3 Sb -","- Ag Pb S3 Sb -","- Ag4 Pb4 S12 Sb4 -","4","1","","Fan, H.-F.; Woolfson, M.M.; Main, P.; Yao, J.-X.","On the Application of Phase Relationships to Complex Structures. XXIII. Automatic Determination of Crystal Structures having Pseudo-Translational Symmetry by a Modified MULTAN Procedure","Acta Crystallographica C (39,1983-)","1983","39","","566","569","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2018859","11.24","","12.278","","12.955","","90","","90","","90","","1787.85","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ag2 (Al4 Cl10 O2)","","- Ag2 Al4 Cl10 O2 -","- Ag2 Al4 Cl10 O2 -","- Ag8 Al16 Cl40 O8 -","4","0.5","","Jentsch, D.; Schwarzmann, E.; Sheldrick, G.M.; Jones, P.G.","Disilver(I) Decachlorodioxotetraaluminate(III), Ag2 (Al4 Cl10 O2)","Acta Crystallographica C (39,1983-)","1983","39","","1173","1174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018860","13.901","","11.073","","6.303","","90","","90","","90","","970.194","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Ag4 P2 S6 -","- Ag4 P2 S6 -","- Ag16 P8 S24 -","4","1","","Toffoli, P.; Rodier, N.; Khodadad, P.","Structure d'une Deuxieme Variete d'Hexathiodiphosphate(IV) d'Argent, Ag4 P2 S6. Comparaison des Structures des Deux Varietes","Acta Crystallographica C (39,1983-)","1983","39","","1485","1488","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2018873","7.021","","17.218","","10.952","","90","","90","","90","","1323.96","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Pb4 O (Pb2 (B O3)3 Cl)","","- B3 Cl O10 Pb6 -","- B3 Cl O10 Pb6 -","- B12 Cl4 O40 Pb24 -","4","0.5","","Behm, H.","Hexalead Chloride Triorthoborate Oxide, Pb4 O (Pb2 (B O3)3 Cl)","Acta Crystallographica C (39,1983-)","1983","39","","1317","1319","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2020033","14.146","","4.286","","5.702","","90","","90","","90","","345.711","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ni Th -","- Ni Th -","- Ni8 Th8 -","8","1","","Fornasini, M.L.","Structural redetermination of the Th Ni phase","Acta Crystallographica C (39,1983-)","1983","39","","946","947","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020034","12.484","","12.484","","12.484","","90","","90","","90","","1945.64","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","","- Ga7 Sr8 -","- Ga7 Sr8 -","- Ga28 Sr32 -","4","0.333333","","Fornasini, M.L.","Structures of Ba8 Ga7, Sr8 Ga7 and Sr8 Al7","Acta Crystallographica C (39,1983-)","1983","39","","943","946","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020133","6.968","","6.968","","6.41","","90","","90","","120","","269.529","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Ca S O4 (H2 O).8","","- Ca H1.6 O4.8 S -","- Ca H1.6 O4.8 S -","- Ca3 H4.8 O14.4 S3 -","3","0.5","","Abriel, W.","Calcium Sulfat Subhydrat, Ca S O4 (H2 O).8","Acta Crystallographica C (39,1983-)","1983","39","","956","958","","","","","","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2020134","5.875","","3.565","","6.781","","90","","90","","90","","142.024","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Yb D2","","- D2 Yb -","- D2 Yb -","- D8 Yb4 -","4","0.5","","Lebech, B.; Andersen, N.H.; Steenstrup, S.; Schroder Pedersen, A.","Neutron diffraction studies of ytterbium dihydride: The crystal structure at 300 K","Acta Crystallographica C (39,1983-)","1983","39","","1475","1480","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020135","10.576","","12.551","","10.027","","115.06","","99.51","","62.32","","1066.88","","","","","","","","","","","","","5","P -1","-P 1","2","","Na5 (H3 Pt W6 O24) (H2 O)20","","- H43 Na5 O44 Pt W6 -","- Na5 O44 Pt W6 -","- Na5 O44 Pt W6 -","1","0.5","","Lee, U.; Kobayashi, A.; Sasaki, Y.","Structure of Pentasodium Trihydrogenhexatungstoplatinate(IV) Icosahydrate, Na5 (H3 Pt W6 O24) (H2 O)20","Acta Crystallographica C (39,1983-)","1983","39","","817","819","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020136","12.257","","12.212","","14.79","","82.28","","73.75","","78.12","","2072.89","","","","","","","","","","","","","5","P -1","-P 1","2","","Cd3 Ca Cl8 (H2 O)8.5","","- Ca Cd3 Cl8 H17 O8.5 -","- Ca Cd3 Cl8 O8.5 -","- Ca4 Cd12 Cl32 O34 -","4","2","","Leligny, H.; Monier, J.C.","Structure de l'octachlorure de tricadmium et de calcium 8.5-hydrate, ((Ca (H2 O)7) (Cd6 Cl16 (H2 O)2)n (H2 O))2","Acta Crystallographica C (39,1983-)","1983","39","","947","952","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020137","6.66","","6.66","","11.65","","90","","90","","108.12","","491.116","","","","","","","","","","","","","2","B 1 1 b","B -2b","9","","","","- Ga2 Se3 -","- Ga2 Se3 -","- Ga8 Se12 -","4","1","","Ghemard, G.; Jaulmes, S.; Etienne, J.; Flahaut, J.","Structure de la phase ordonnee du sesquiseleniure de gallium, Ga2 Se3","Acta Crystallographica C (39,1983-)","1983","39","","968","971","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020140","9.2636","","7.2859","","12.7193","","90","","90","","90","","858.472","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb2 (Zn Cl4)","","- Cl4 Rb2 Zn -","- Cl4 Rb2 Zn -","- Cl16 Rb8 Zn4 -","4","0.5","","Secco, A.S.; Trotter, J.","Structure of Rubidium Tetrachlorozincate(II), Rb2 (Zn Cl4)","Acta Crystallographica C (39,1983-)","1983","39","","317","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020141","20.3475","","5.9114","","14.7733","","90","","104.38","","90","","1721.29","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","K5 (H S O3)3 (S2 O5)","","- H3 K5 O14 S5 -","- H3 K5 O14 S5 -","- H12 K20 O56 S20 -","4","0.5","","Magnusson, A.; Johansson, L.G.; Lindqvist, O.","Pentapotassium Disulfite Tris(hydrogensulfite), K5 (H S O3)3 (S2 O5)","Acta Crystallographica C (39,1983-)","1983","39","","819","822","","","","","","","","","","","","","","","","","","","","","","has coordinates","161952","2020-10-21","18:00:00",""
"2020142","6.988","","13.569","","15.431","","90","","90","","90","","1463.17","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Hg3 O2 (N O3)2","","- Hg3 N2 O8 -","- Hg3 N2 O8 -","- Hg24 N16 O64 -","8","1","","Behm, H.","Trimercury Dinitrate Dioxide, Hg3 O2 (N O3)2","Acta Crystallographica C (39,1983-)","1983","39","","1319","1321","","","","","","","","","","","","","","","","","","","","","","has coordinates","162229","2020-10-21","18:00:00",""
"2020143","12.41","","6.22","","10.88","","90","","90","","90","","839.829","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Ga2 Sn2 S5","","- Ga2 S5 Sn2 -","- Ga2 S5 Sn2 -","- Ga8 S20 Sn8 -","4","1","","Mazurier, A.; Thevet, F.; Jaulmes, S.","Structure de pentasulfure de digallium et de dietain, Ga2 Sn2 S5","Acta Crystallographica C (39,1983-)","1983","39","","814","816","","","","","","","","","","","","","","","","","","","","","","has coordinates","162365","2020-10-21","18:00:00",""
"2020144","3.3387","","14.298","","6.3961","","90","","105.1","","90","","294.787","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Li (N O2) (H2 O)","","- H2 Li N O3 -","- H2 Li N O3 -","- H8 Li4 N4 O12 -","4","1","","Hermansson, K.; Thomas, J.O.","The structure and electron deformation density of Li N O2 (H2 O) at 295K","Acta Crystallographica C (39,1983-)","1983","39","","930","936","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020145","13.8937","","9.6258","","10.9127","","90","","95.66","","90","","1452.33","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Al (N O3)3 (D2 O)9","","- Al D18 N3 O18 -","- Al D18 N3 O18 -","- Al4 D72 N12 O72 -","4","1","","Hermansson, K.","A Neutron Diffraction Determination of the Structure of Deuterated Aluminium Nitrate Nonahydrate, Al (N O3)3 (D2 O)9","Acta Crystallographica C (39,1983-)","1983","39","","925","930","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020146","11.085","","13.76","","8.919","","90","","90","","90","","1360.41","","","","","","","","","","","","","4","P b c 21","P 2c -2b","29","","(H3 O) Sb (S O4)2","","- H3 O9 S2 Sb -","- O9 S2 Sb -","- O72 S16 Sb8 -","8","2","","Mercier, R.; Douglade, J.; Sheldrick, G.M.; Jones, P.G.","Structure of an Oxonium Antimony(III) Sulphate, (H3 O)2 Sb2 (S O4)4","Acta Crystallographica C (39,1983-)","1983","39","","145","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"2020147","15.712","","7.772","","9.732","","90","","123.28","","90","","993.51","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","(Co (N H3)6) I3 (I2)2","","- Co H18 I7 N6 -","- Co H18 I7 N6 -","- Co2 H36 I14 N12 -","2","0.25","","Tebbe, K. F.","Untersuchungen an Polyhalogeniden. 6. Hexaammincobalt(III)heptaiodid, (Co (N H3)6) I3 I4","Acta Crystallographica C (39,1983-)","1983","39","","154","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","189064","2020-10-21","18:00:00",""
"2020148","6.635","","7.114","","6.548","","114.41","","95.52","","100.33","","271.836","","","","","","","","","","","","","5","P -1","-P 1","2","","(Pt Cl2 (N H3)4) (N O3)2","","- Cl2 H12 N6 O6 Pt -","- Cl2 H12 N6 O6 Pt -","- Cl2 H12 N6 O6 Pt -","1","0.5","","Britten, J.F.; Lock, C.J.L.","Trans-Tetraamminedichloroplatinum(IV)Dinitrate, (Pt Cl2 (N H3)4) (N O3)2","Acta Crystallographica C (39,1983-)","1983","39","","1589","1591","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020149","9.4245","","9.9759","","7.8877","","110.58","","103.27","","97.8","","656.388","","","","","","","","","","","","","3","P -1","-P 1","2","","Ba3 Te4 O11","","- Ba3 O11 Te4 -","- Ba3 O11 Te4 -","- Ba6 O22 Te8 -","2","1","","Hottentot, D.; Loopstra, B.O.","The Structure of Tribarium Tetratellurate(IV), Ba3 Te4 O11","Acta Crystallographica C (39,1983-)","1983","39","","320","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","163048","2020-10-21","18:00:00",""
"2020150","14.751","","11.695","","5.106","","90","","90.23","","90","","880.844","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Pb3 Ge Ga10 O20","","- Ga10 Ge O20 Pb3 -","- Ga10 Ge O20 Pb3 -","- Ga20 Ge2 O40 Pb6 -","2","0.25","","Cadee, M.C.; Verschoor, G.C.; Ijdo, D.J.W.","Structures of Pb3 Ge Ga10 O20 and Ba3 Sn Fe10 O20","Acta Crystallographica C (39,1983-)","1983","39","","921","925","","","","","","","","","","","","","","","","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"2020151","15.443","","11.9068","","5.2473","","90","","90.945","","90","","964.725","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ba3 Sn Fe10 O20","","- Ba3 Fe10 O20 Sn -","- Ba3 Fe10 O20 Sn -","- Ba6 Fe20 O40 Sn2 -","2","0.25","","Cadee, M.C.; Verschoor, G.C.; Ijdo, D.J.W.","Structures of Pb3 Ge Ga10 O20 and Ba3 Sn Fe10 O20","Acta Crystallographica C (39,1983-)","1983","39","","921","925","","","","","","","","","","","","","","","","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"2020152","10.78","","4.03","","19.95","","90","","90","","90","","866.696","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ga La3 O S5 -","- Ga La3 O S5 -","- Ga4 La12 O4 S20 -","4","0.5","","Jaulmes, S.; Guittard, M.; Mazurier, A.","Structure de l'Oxypentasulfur de Gallium et de Trilanthane, Ga La3 O S5","Acta Crystallographica C (39,1983-)","1983","39","","1594","1597","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020153","20.076","","7.323","","4.1164","","90","","90","","90","","605.179","","","","","","","","","","","","","3","P b a n :2","-P 2ab 2b","50","","U Mo2 O8","","- Mo2 O8 U -","- Mo2 O8 U -","- Mo8 O32 U4 -","4","0.5","","Cremers, T.L.; Eller, P.G.; Penneman, R.A.; Herrick, C.C.","Orthorombic Uranium(IV) Molybdenum(VI) Oxide, U Mo2 O8","Acta Crystallographica C (39,1983-)","1983","39","","1163","1165","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020154","10.318","","9.737","","14.475","","90","","90","","90","","1454.25","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Th (Mo O4)2","","- Mo2 O8 Th -","- Mo2 O8 Th -","- Mo16 O64 Th8 -","8","1","","Cremers, T.L.; Eller, P.G.; Penneman, R.A.","Orthorombic thorium(IV) molybdate, Th (Mo O4)2","Acta Crystallographica C (39,1983-)","1983","39","","1165","1167","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020155","3.615","","3.615","","5.88","","90","","90","","120","","66.546","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- C O -","- C0.9996 O0.9996 -","- C1.9992 O1.9992 -","2","0.0833333","","Cromer, D.T.; Mills, R.; Schiferl, D.; le Sar, R.","Room-Temperature Structure of Carbon Monoxide at 2.7 and 3.6 GPa","Acta Crystallographica C (39,1983-)","1983","39","","1146","1150","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020156","10.359","","8.1","","8.687","","90","","113.81","","90","","666.87","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","S4 N4 O2","","- N4 O2 S4 -","- N4 O2 S4 -","- N16 O8 S16 -","4","1","","Jones, P.G.; Pinkert, W.; Sheldrick, G.M.","Redetermination of the Structure of Tetrasulphurtetranitrogen Dioxide, S4 N4 O2","Acta Crystallographica C (39,1983-)","1983","39","","827","829","","","","","","","","","","","","","","","","","","","","","","has coordinates","163905","2020-10-21","18:00:00",""
"2020157","5.77","","4.619","","12.819","","90","","90.12","","90","","341.646","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","(N H4) (Be F3)","","- Be F3 H4 N -","- Be F3 H4 N -","- Be4 F12 H16 N4 -","4","2","","Waskowska, A.","Ammonium trifluoroberyllate(II), (N H4) (Be F3), at room temperature","Acta Crystallographica C (39,1983-)","1983","39","","1167","1169","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020158","10.862","","8.426","","7.001","","128.27","","99.21","","88.84","","493.992","","","","","","","","","","","","","4","P -1","-P 1","2","","Na5 H2 (P O4) (P2 O7)","","- H2 Na5 O11 P3 -","- H2 Na5 O11 P3 -","- H4 Na10 O22 P6 -","2","1","","Wiench, D.M.; Jansen, M.","Structure of Pentasodium Dihydrogen Orthophosphate Diphosphate (V) Na5 H2 (P O4) (P2 O7)","Acta Crystallographica C (39,1983-)","1983","39","","1613","1615","","","","","","","","","","","","","","","","","","","","","","has coordinates","164354","2020-10-21","18:00:00",""
"2020159","9.88","","7.248","","24.171","","90","","98.46","","90","","1712.06","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ni (S O4) (D2 O)6","","- D12 Ni O10 S -","- Ni O10 S -","- Ni8 O80 S8 -","8","1","","Ptasiewicz-Bak, H.; McIntyre, G.J.; Olovsson, I.","Structure of Monoclinic Nickel Sulphate Hexadeuterate, Ni S O4 (D2 O)6","Acta Crystallographica C (39,1983-)","1983","39","","966","968","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020160","5.07","","5.07","","38.40799","","90","","90","","120","","855.004","","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","Ba Ce F (C O3)2","","- C2 Ba Ce F O6 -","- C2 Ba Ce F O6 -","- C12 Ba6 Ce6 F6 O36 -","6","0.333333","","Fan, H.-F.; Yao, J.-X.; Main, P.; Woolfson, M.M.","On the application of phase relationships to complex structures. XXIII. Automatic determination of crystal structures having pseudo-translational symmetry by a modified MULTAN procedure","Acta Crystallographica C (39,1983-)","1983","39","","566","569","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020161","6.0704","","6.0704","","15.3758","","90","","90","","120","","490.685","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Ba3 Sr Nb2 O9","","- Ba3 Nb2 O9 Sr -","- Ba3 Nb2 O9 Sr -","- Ba6 Nb4 O18 Sr2 -","2","0.166667","","Zandbergen, H.B.; Ijdo, D.J.W.","Barium strontium niobate and barium strontium tantalate, Ba3 Sr Nb2 O9 and Ba3 Sr Ta2 O9, a Rietveld refinement of neutron powder diffraction data","Acta Crystallographica C (39,1983-)","1983","39","","829","832","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020162","6.0776","","6.0776","","15.336","","90","","90","","120","","490.577","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Ba3 Sr Ta2 O9","","- Ba3 O9 Sr Ta2 -","- Ba3 O9 Sr Ta2 -","- Ba6 O18 Sr2 Ta4 -","2","0.166667","","Zandbergen, H.B.; Ijdo, D.J.W.","Barium Strontium Niobate and Barium Strontium Tantalate, Ba3 Sr Nb2 O9 and Ba3 Sr Ta2 O9, a Rietveld Refinement of Neutron Powder Diffraction Data","Acta Crystallographica C (39,1983-)","1983","39","","829","832","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020164","7.341","","8.579","","11.975","","90","","101.98","","90","","737.741","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K H2 P O3","","- H2 K O3 P -","- H2 K O3 P -","- H16 K8 O24 P8 -","8","2","","Kratochvil, B.; Podlahova, J.; Hasek, J.","Structure of Potassium Dihydrogenphosphite, K H2 P O3","Acta Crystallographica C (39,1983-)","1983","39","","326","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020165","6.846","","7.557","","8.81","","71.59","","82.8","","81.09","","425.82","","","","","","","","","","","","","5","P -1","-P 1","2","","Ca Cs (N3)3 (H2 O)","","- Ca Cs H2 N9 O -","- Ca Cs H2 N9 O -","- Ca2 Cs2 H4 N18 O2 -","2","1","","Krischner, H.; Mautner, F.A.; Kratky, C.","Calcium Cesium Triazide Monohydrate, Ca Cs (N3)3 (H2 O)","Acta Crystallographica C (39,1983-)","1983","39","","941","943","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020166","9.307","","11.747","","6.776","","91.11","","112.24","","109.15","","638.972","","","","","","","","","","","","","4","P -1","-P 1","2","","(Nd (N O3)3 (H2 O)4) (H2 O)2","","- H12 N3 Nd O15 -","- H12 N3 Nd O15 -","- H24 N6 Nd2 O30 -","2","1","","Rogers, D.J.; Taylor, N.J.; Toogood, G.E.","Tetraaquatrinitratoneodymium(III) Dihydrate, (Nd (N O3)3 (H2 O)4) (H2 O)2","Acta Crystallographica C (39,1983-)","1983","39","","939","941","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020232","19.054","","3.8463","","19.166","","90","","152.1","","90","","657.267","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","K In5 S8","","- In5 K S8 -","- In5 K S8 -","- In10 K2 S16 -","2","0.25","","Carre, D.; Pardo, M.P.","Structure de l'octasulfure de pentaindium et de potassium, In5 K S8","Acta Crystallographica C (39,1983-)","1983","39","","822","824","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020365","11.38","","9.281","","11.714","","90","","90","","90","","1237.21","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Tl2 S3 N3) (S4 N5)","","- N8 S7 Tl2 -","- N8 S7 Tl2 -","- N32 S28 Tl8 -","4","0.5","","Martan, H.; Weiss, J.","Dithalliumtrischwefeltrinitrid-tetraschwefelpentanitrid, Tl2 S7 N8","Acta Crystallographica C (39,1983-)","1983","39","","959","960","","","","","","","","","","","","","","","","","","","","","","has coordinates","172479","2020-10-21","18:00:00",""
"9007703","7.1615","","7.1615","","17.639","","90","","90","","90","","904.653","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- As D9 O10 U -","- As D9 O10 U -","- As4 D36 O40 U4 -","4","0.25","","Fitch, A. N.; Bernard, L.; Howe, A. T.; Wright, A. F.; Fender, B. E. F.","The room-temperature structure of DUO2AsO4*4D2O by powder neutron diffraction Locality: synthetic","Acta Crystallographica, Section C","1983","39","","159","162","10.1107/S0108270183003960","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007704","6.123","","6.293","","11.838","","101.34","","98.39","","103.21","","426.612","","","","","","","","","","","","Synthetic","3","P -1","-P 1","2","","","Weissbergite","- S2 Sb Tl -","- S2 Sb Tl -","- S8 Sb4 Tl4 -","4","2","","Rey, N.; Jumas, J. C.; Olivier-Fourcade J; Philippot, E.","Sur les composes III-V-VI: Etude structurale du disulfure d'antimoine et de thallium, TlSbS2","Acta Crystallographica, Section C","1983","39","","971","974","10.1107/S0108270183007040","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007705","9.224","","9.224","","9.224","","90","","90","","90","","784.798","","","","","","","","","","","","Hansonburg mining district, New Mexico, USA","5","F m -3 m","-F 4 2 3","225","","","Murdochite","- Br0.36 Cl0.64 Cu6 O7.52 Pb -","- Br0.36 Cl0.64 Cu6 O7.52 Pb -","- Br1.44 Cl2.56 Cu24 O30.08 Pb4 -","4","0.0208333","","Dubler, E.; Vedani, A.; Oswald, H. R.","New structure determination of murdochite, Cu6PbO8","Acta Crystallographica, Section C","1983","39","","1143","1146","10.1107/S0108270183007702","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9011340","7.0221","","7.0221","","18.0912","","90","","90","","90","","892.075","","","","","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","Uramphite (deuterated)","- D6 H4 N O9 P U -","- D10 N O9 P U -","- D40 N4 O36 P4 U4 -","4","0.25","","Fitch, A. N.; Fender, B. E. F.","The structure of deuterated ammomium uranyl phosphate trihydrate, ND4UO2PO4*3D2O by powder neutron diffraction","Acta Crystallographica, Section C","1983","39","","162","166","10.1107/S0108270183003972","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011341","9.119","","9.119","","9.119","","69.24","","69.24","","69.24","","639.924","","","","","","","","","","","","peridotite nodules, Bultfonten kimblerlite, South Africa","13","R -3 :R","-P 3*","148","","","Mathiasite","- Ba0.14 Ca0.3 Cr3.1 Fe2.2 K0.62 Mg1.333 Na0.14 Nb0.233 O38 Sr0.1 Ti12.9 V0.233 Zr0.7 -","- Ba0.14 Ca0.3 Cr3.1002 Fe2.2002 K0.62 Mg1.3334 Na0.14 Nb0.2334 O38 Sr0.1 Ti12.9 V0.2334 Zr0.7 -","- Ba0.14 Ca0.3 Cr3.1002 Fe2.2002 K0.62 Mg1.3334 Na0.14 Nb0.2334 O38 Sr0.1 Ti12.9 V0.2334 Zr0.7 -","1","0.166667","","Gatehouse, B. M.; Grey, I. E.; Smyth, J. R.","Structure refinement of mathiasite, (K0.62Na0.14Ba0.14Sr0.10) [Ti12.90Cr3.10Mg1.53Fe2.15Zr0.67Ca0.29V0.36]O38 locality: peridotite nodules, Bultfonten kimblerlite, South africa","Acta Crystallographica, Section C","1983","39","","421","422","10.1107/S0108270183004965","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9011342","11.955","","10.039","","5.639","","89.78","","100.36","","91.34","","665.556","","","","","","","","","","","","","6","P -1","-P 1","2","","","Demesmaekerite","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","1","0.5","","Ginderow, D.; Cesbron, F.","Structure de la demesmaekerite,Pb2Cu5(SeO3)6(UO2)2(OH)6*2H2O Locality: Musoni, Kolwezi, Shaba, Zaire Note: anisoB's from ICSD","Acta Crystallographica, Section C","1983","39","","824","827","10.1107/S0108270183006496","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9011343","8.1184","","8.1184","","8.1184","","90","","90","","90","","535.071","","","","","","","","","","","","Synthetic","3","P a -3","-P 2ac 2ab 3","205","","Barium nitrate","Nitrobarite","- Ba N2 O6 -","- Ba N2 O6 -","- Ba4 N8 O24 -","4","0.166667","","Nowotny, H.; Heger, G.","Structure refinement of strontium nitrate, Sr(NO3)2, and barium nitrate, Ba(NO3)2 Locality: synthetic","Acta Crystallographica, Section C","1983","39","","952","956","10.1107/S0108270183006976","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9011344","7.7813","","7.7813","","7.7813","","90","","90","","90","","471.147","","","","","","","","","","","","Synthetic","3","P a -3","-P 2ac 2ab 3","205","","","","- N2 O6 Sr -","- N2 O6 Sr -","- N8 O24 Sr4 -","4","0.166667","","Nowotny, H.; Heger, G.","Structure refinement of strontium nitrate, Sr(NO3)2, and barium nitrate, Ba(NO3)2 Locality: synthetic","Acta Crystallographica, Section C","1983","39","","952","956","10.1107/S0108270183006976","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9011345","3.595","","3.595","","5.845","","90","","90","","120","","65.42","","","","300","","","","2940000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","","","Nitrogen","- N2 -","- N1.99998 -","- N7.99992 -","4","0.166667","","Schiferl, D.; Cromer, D. T.; Ryan, R. R.; Larson, A. C.; LeSar, R.; Mills, R. L.","Structure of N2 at 2.94 GPa and 300 K Sample: at T = 300 K and P = 2.94 GPa","Acta Crystallographica, Section C","1983","39","","1151","1153","10.1107/S0108270183007726","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011346","11.152","","11.152","","16.24","","90","","90","","90","","2019.72","","","","","","","","","","","","","5","I 4/m","-I 4","87","","","Paceite","- C8 H24 Ca Cu O14 -","- C8 H24 Ca Cu O14 -","- C32 H96 Ca4 Cu4 O56 -","4","0.25","","Klop, E. A.; Duisenberg, A. J. M.; Spek, A. L.","Reinvestigation of the structure of calcium copper acetate hexahydrate, CaCu(C2H3O2)4*6H2O","Acta Crystallographica, Section C","1983","39","","1342","1344","10.1107/S010827018300846X","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9011347","20.397","","5.412","","9.161","","90","","90","","90","","1011.27","","","","","","","","","","","","Synthetic","4","P n 21 a","P -2ac -2n","33","","","Buchwaldite","- Ca Na O4 P -","- Ca Na O4 P -","- Ca12 Na12 O48 P12 -","12","3","","Ben Amara, M.; Vlasse, M.; Le Flem, G.; Hagenmuller, P.","Structure of the low-temperature variety of calcium sodium orthophosphate, NaCaPO4 Locality: synthetic","Acta Crystallographica, Section C","1983","39","","1483","1485","10.1107/S0108270183008963","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011348","5.57","","19.088","","5.965","","90","","90","","90","","634.2","","","","","","","","","","","","Musoni, Shaba, Ziare","5","P n 21 m","P -2 -2bc","31","","","Derriksite","- Cu4 H6 O14 Se2 U -","- Cu4 H6 O14 Se2 U -","- Cu8 H12 O28 Se4 U2 -","2","0.5","","Ginderow, D.; Cesbron, F.","Structure da la derriksite, Cu4(UO2)(SeO3)2(OH)6 Note: anisoB's from ICSD","Acta Crystallographica, Section C","1983","39","","1605","1607","10.1107/S0108270183009439","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9015032","6.628","","7.467","","22.607","","115.32","","80.56","","95.49","","997.26","","","","","","","","","","","","synthetic at 2 GPa and 1523 K for 20 h","3","P -1","-P 1","2","","","Ferrosilite III","- Fe O3 Si -","- Fe O3 Si -","- Fe18 O54 Si18 -","18","9","","Weber, H. P.","Ferrosilite III, the high-temperature polymorph of FeSiO3","Acta Crystallographica, Section C","1983","39","","1","3","10.1107/S010827018300339X","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9017339","6.968","","6.968","","6.41","","90","","90","","120","","269.529","","","","","","","","","","","","Synthetic","4","P 31 2 1","P 31 2""","152","","","Bassanite","- Ca H1.62 O4.81 S -","- Ca H1.62 O4.81 S -","- Ca3 H4.86 O14.43 S3 -","3","0.5","","Abriel, W.","Calcium sulfat subhydrat, CaSO4.0,8H2O","Acta Crystallographica, Section C","1983","39","","956","958","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""