# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-25T04:49:22+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry') 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
"1000175","11.666","0.005","11.666","0.005","12.551","0.006","90","","90","","90","","1708.1","","","","","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","Rubidium aluminium tetrafluoride - β","","- Al F4 Rb -","- Al F4 Rb -","- Al20 F80 Rb20 -","20","1.25","","Fourquet, J. L.; Plet, F.; de Pape, R.","RbAlF~4~: Structure of Its β Metastable Form and Description of the Mechanism of Its Irreversible and Topotactic Phase Transition β →α","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1980","36","9","1997","2000","10.1107/S0567740880007790","","","","","","0.0178","","","","","","","","","","","","","","","has coordinates","200141","2020-10-21","18:00:00",""
"1001000","11.827","0.009","16.538","0.014","12.622","0.012","90","0","90","0","90","0","2468.8","","","","","","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","Calcium nitrate dihydrate - α","","- Ca H4 N2 O8 -","- Ca H8 N2 O8 -","- Ca16 H128 N32 O128 -","16","1","","Leclaire, A.; Mitschler, A.; Monier, J.-C.","Structure cristalline de l'hydrate Ca(NO~3~)~2~.2H~2~ O α","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1976","32","4","1496","1499","10.1107/S0567740876005633","","","","","","0.084","","","","","","","","","","","","","","","has coordinates","200141","2020-10-21","18:00:00",""
"1001018","8.923","0.005","10.221","0.004","12.787","0.006","90","","114.68","0.04","90","","1059.7","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Calcium chloride tetrahydrate - β","","- Ca Cl2 H8 O4 -","- Ca Cl2 H8 O4 -","- Ca6 Cl12 H48 O24 -","6","1.5","","Leclaire, A.; Borel, M. M.","La forme β du dichlorure de calcium tétrahydraté","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1978","34","3","900","902","10.1107/S0567740878004288","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","200141","2020-10-21","18:00:00",""
"1001023","7.79","0.01","6.88","0.01","12.22","0.01","90","","90","0.3","90","","654.9","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Calcium nitrate dihydrate - β","","- Ca H4 N2 O8 -","- Ca H4 N2 O8 -","- Ca4 H16 N8 O32 -","4","0.5","","Leclaire, A.","Identification d'un nouvel hydrate du nitrate de calcium Ca(NO~3~)~2~.2H~2~O β","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1974","30","3","605","607","10.1107/S0567740874003384","","","","","","0.092","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1007008","15.14","0.01","7.684","0.005","4.861","0.005","97.86","0.01","96.74","0.01","83.89","0.01","554","","","","","","","","","","","","","5","P -1","-P 1","2","","Diammonium silicon tetraphosphate","","- H8 N2 O13 P4 Si -","- H8 N2 O13 P4 Si -","- H16 N4 O26 P8 Si2 -","2","1","","Durif, A.; Averbuch-Pouchot, M. T.; Guitel, J. C.","Structure cristalline de (NH~4~)~2~SiP~4~O~13~: un nouvel exemple de silicium hexacoordiné","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1976","32","11","2957","2960","10.1107/S0567740876009370","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","200141","2020-10-21","18:00:00",""
"1008018","10.64","0.005","12.35","0.006","15.94","0.006","90","","94.27","0.01","90","","2088.8","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium tetrakis(oxalato)hafnate pentahydrate","","- C8 H10 Hf K4 O21 -","- C8 H10 Hf K4 O21 -","- C32 H40 Hf4 K16 O84 -","4","1","","Tranqui, D.; Boyer, P.; Laugier, J.; Vulliet, P.","Structure cristalline du tetrakisoxalatohafniate de potassium pentahydrate K~4~ Hf (C~2~ O~4~)~4~ (H~2~ O)~5~","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1977","33","","3126","3133","10.1107/S0567740877010395","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","205550","2020-10-21","18:00:00",""
"1008031","7.184","0.001","6.79","0.001","7.256","0.001","94.68","0.01","104.97","0.01","88.77","0.01","340.8","","","","","","","","","","","","","4","P -1","-P 1","2","","Strontium hydrogenphosphate - α","","- H O4 P Sr -","- H0.5 O4 P Sr -","- H2 O16 P4 Sr4 -","4","2","","Boudjada, A; Masse, R; Guitel, J C","Structure cristalline de l'orthophosphate monoacide de strontium: SrHPO~4~α: forme triclinique","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1978","34","9","2692","2695","10.1107/S0567740878009036","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","200141","2020-10-21","18:00:00",""
"1008169","16.31","0.02","16.67","0.02","9.474","0.005","90","","95.53","0.05","90","","2563.9","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Barium dichromate - α","","- Ba Cr2 O7 -","- Ba Cr2 O7 -","- Ba16 Cr32 O112 -","16","2","","Blum, D.; Averbuch-Pouchot, M. T.; Guitel, J. C.","Structure du Dichromate de Baryum, Form α","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1979","35","11","2685","2687","10.1107/S0567740879010189","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","200141","2020-10-21","18:00:00",""
"1008182","16.013","0.004","13.182","0.002","8.435","0.003","90","","90","","90","","1780.5","","","","","","","","","","","","","3","A c a m","-A 2 2ab","64","","Rubidium trilutetium fluoride","","- F10 Lu3 Rb -","- F10 Lu3 Rb -","- F80 Lu24 Rb8 -","8","","","Arbus, A.; Fournier, M. T.; Cousseins, J. C.; Védrine, A.; Chevalier, R.","Structure Cristalline du Composé β-RbLu~3~F~10~","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1982","38","1","75","79","10.1107/S0567740882002088","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","200141","2020-10-21","18:00:00",""
"1008837","14.287","0.006","8.004","0.003","11.95","0.004","90","","125.33","0.03","90","","1114.9","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Potassium diholmium fluoride","","- F7 Ho2 K -","- F7 Ho2 K -","- F56 Ho16 K8 -","8","2","","le Fur, Y.; Aléonard, S.; Gorius, M. F.; Roux, M. T.","Structure des phases de type α-KEr~2~F~7~","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1982","38","5","1431","1436","10.1107/S0567740882006098","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","200141","2020-10-21","18:00:00",""
"1100096","6.314","0.005","10.565","0.018","6.03","0.006","81.12","0.2","109.82","0.2","105.08","0.05","364.4","","","","","","","","","","","","","4","P -1","-P 1","2","","Magnesium sulfate(VI) pentahydrate","Pentahydrite","- H10 Mg O9 S -","- H10 Mg O9 S -","- H20 Mg2 O18 S2 -","2","1","","Baur, W. H.; Rolin, J. L.","Salt hydrates. IX. The comparison of the crystal structure of magnesium sulfate pentahydrate with copper sulfate pentahydrate and magnesium chromate pentahydrate","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1972","28","5","1448","1455","10.1107/S0567740872004443","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","278162","2022-09-26","15:31:18",""
"1100276","7.378","0.004","9.74","0.005","11.406","0.006","80.83","0.04","81.26","0.04","81.88","0.04","794.01","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H23 Br O2 -","- C17 H23 Br O2 -","- C34 H46 Br2 O4 -","2","1","","Harms, K.; Jones, P. G.; Sheldrick, G. M.","(6aRS,9RS,10aRS)-4-Bromo-1-methoxy-6,6,9-trimethyl-6a,7,8,9,10,10a-hexahydro-6H-dibenzo[b,d]pyran","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1980","36","12","3157","3159","10.1107/S0567740880011132","","","","","","","","","","","","","","","","","","","","","has coordinates","176872","2020-10-21","18:00:00",""
"1100292","8.116","0.004","9.684","0.004","13.998","0.006","90","","90","","90","","1100.18","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O5 -","- C11 H14 O5 -","- C44 H56 O20 -","4","1","","Harms, K.; Jones, P. G.; Sheldrick, G. M.; Tietze, L. F.; Uzar, H. C.","Methyl (1S,5S,6S,7R)-6-formyl-7-methyl-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylate","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1980","36","12","3156","3157","10.1107/S0567740880011120","","","","","","","","","","","","","","","","","","","","","has coordinates","176912","2020-10-21","18:00:00",""
"1100309","7.44","0.002","11.609","0.002","12.295","0.003","90","","90","","90","","1061.93","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H20 Cl N O -","- C9 H20 Cl N O -","- C36 H80 Cl4 N4 O4 -","4","1","","Harms, K.; Sheldrick, G. M.; Fischer, R.; Tietze, L. F.","[(1RS,2RS,3SR)-3-Hydroxy-2-methylcyclopentyl]trimethylammonium chloride","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1980","36","12","3206","3208","10.1107/S0567740880011338","","","","","","","","","","","","","","","","","","","","","has coordinates","176910","2020-10-21","18:00:00",""
"1100310","10.298","0.003","9.915","0.002","10.835","0.002","90","","114.62","0.04","90","","1005.73","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H28 O2 Se -","- C22 H28 O2 Se -","- C44 H56 O4 Se2 -","2","1","","Clegg, W.; Harms, K.; Sheldrick, G. M.; von Kiedrowski, G.; Tietze, L. F.","(2S,6aR,10aR)-6,6,9-Trimethyl-1-oxo-2-phenylseleno-1,2,3,4,6a,7,8,9,10,10a-decahydro-6H-dibenzo[b,d]pyran","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1980","36","12","3159","3162","10.1107/S0567740880011144","","","","","","","","","","","","","","","","","","","","","has coordinates","176913","2020-10-21","18:00:00",""
"2000047","12.009","0.003","19.943","0.006","20.823","0.008","90","","90","","90","","4987.02","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H32 Ir4 O12 P2 -","- C41 H32 Ir4 O12 P2 -","- C164 H128 Ir16 O48 P8 -","4","1","","Tranqui, D.; Durif, A.; Eddine, M. N.; Lieto, J.; Rafalko, J. J.; Gates, B. C.","Structure of a tetrairidium cluster with a bridging diop ligand: 2,3-μ-[(+)-4,5-bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane]- (P,P')-2,3;3,4;4,2-tri-m-carbonyl-1,1,1,2,3,4,4-heptacarbonyl- tetrahedro-tetrairidium","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1982","38","","1916","1920","10.1107/S0567740882007596","","","","","","","0.045","","","0.045","","","","","","","","","","","has coordinates","199646","2020-10-21","18:00:00",""
"2000112","9.3","0.05","33.25","0.15","6.75","0.04","90","","120","0.3","90","","1807.63","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Imino-5-phenyl-thiazolidin-4-one","","","- C9 H8 N2 O S -","- C9 N2 O S -","- C72 N16 O8 S8 -","8","2","","Mornon, J. P.; Raveau, B.","Structure cristalline de la molécule schématisée par l'équilibre tautomère: amino-2 phényl-5 thiazolinone-4 ⇌ imino-2 phényl-5 thiazolidinone-4","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1971","27","1","95","108","10.1107/S0567740871001754","","","","","","","0.11","","","0.11","","","","","","","","","","","has coordinates","189487","2020-10-21","18:00:00",""
"2000119","11.1","0.01","17.51","0.02","9.09","0.01","90","","118.62","0.05","90","","1550.87","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H28 Mn2 O16 -","- C10.6667 Mn4.66667 O22.6667 -","- C32 Mn14 O68 -","3","0.75","","Bertaut, E. F.; Duc, T. Q.; Burlet, P.; Burlet, P.; Thomas, M.; Moreau, J. M.","Crystal structure of manganese acetate tetrahydrate","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1974","30","9","2234","2236","10.1107/S0567740874006807","","","","","","","0.049","","","0.049","","","","","","","","","","","has coordinates","199647","2020-10-21","18:00:00",""
"2000120","6.488","0.003","9.873","0.007","9.999","0.006","130.11","0.04","87.1","0.04","100.32","0.05","480.141","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 N2 O7 Zn -","- C12 H14 N4 O15 Zn4 -","- C24 H28 N8 O30 Zn8 -","2","1","","Richard, P.; Qui, D. T.; Bertaut, E. F.","Structure cristalline du polychélate Zn-2,3-PYD.3H2O","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1974","30","3","628","633","10.1107/S0567740874003438","","","","","","","0.05","","","0.05","","","","","","","","","","","has coordinates","199647","2020-10-21","18:00:00",""
"2000121","8.037","0.003","13.977","0.005","15.478","0.005","90","","90","","90","","1738.69","","","","","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C12 H12 Co2 N4 O12 -","- C24 H24 Co6 N10 O26 -","- C96 H96 Co24 N40 O104 -","4","0.5","","Richard, P.; Qui, D. T.; Bertaut, E. F.","Structure cristalline du polychélate Co-2,3-PYD.3H2O","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1973","29","5","1111","1115","10.1107/S056774087300395X","","","","","","","0.034","","","0.034","","","","","","","","","","","has coordinates","199647","2020-10-21","18:00:00",""
"2105790","4.3983","0.0003","4.3983","0.0003","2.873","0.0003","90","","90","","90","","55.578","0.008","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Manganese(IV) Oxide","Pyrolusite","- Mn O2 -","- Mn O2 -","- Mn2 O4 -","2","0.125","","Baur, W. H.","Rutile-type compounds. V. Refinement of MnO~2~ and MgF~2~","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1976","32","7","2200","2204","10.1107/S0567740876007371","","","","","","0.0144","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2105791","9.4146","0.0001","9.4146","0.0001","9.4146","0.0001","90","","90","","90","","834.46","0.015","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Manganese(III) Oxide - Ht","Bixbyite C","- Mn2 O3 -","- Mn2 O3 -","- Mn32 O48 -","16","0.333333","","Geller, S.","Structures of α-Mn~2~O~3~, (Mn~0.983~Fe~0.017~)~2~O~3~, (Mn~0.37~Fe~0.63~)~2O~3~ and relation to magnetic ordering","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1971","27","4","821","828","10.1107/S0567740871002966","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","176330","2020-10-21","18:00:00",""
"2105964","9.978","0.001","7.295","0.001","6.292","0.001","90","","107.07","0.03","90","","437.82","0.12","","","328","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C2 H2 Ca O5 -","- C2 H2 Ca O5 -","- C8 H8 Ca4 O20 -","4","0.5","","Deganello, S","The Structure of Whewellite, CaC~2~O~4~ . H~2~O, at 328 K","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1981","37","4","826","829","10.1107/s056774088100441x","","x-ray","0.71069","MoKα","","","0.047","","","0.055","","","","","","","","","","","has coordinates","200777","2020-10-21","18:00:00",""
"2106193","11.95","","12.19","","14.08","","90","","141.2","","90","","1285.19","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","K Mg (Nb (O2)4) (H2 O)7","","- H14 K Mg Nb O15 -","- H14 K Mg Nb O15 -","- H56 K4 Mg4 Nb4 O60 -","4","1","","Mathern, G.; Weiss, R.","Structure des complexes peroxydiques des metaux de transition. III. structure cristalline du tetraperoxoniobate de potassium et de magnesium a sept molecules d'eau, K Mg Nb (O2)4 (H2 O)7","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1971","27","8","1598","1609","10.1107/s0567740871004412","","","","","","","","","","","","","","","","","","","","","has coordinates","203505","2020-10-21","18:00:00",""
"2106697","8.1344","","8.2019","","6.8683","","96.238","","113.355","","106.192","","391.317","","","","","","","","","","","","","4","P -1","-P 1","2","","Ca2 V2 O7 (H2 O)2","","- Ca2 H4 O9 V2 -","- Ca2 H4 O9 V2 -","- Ca4 H8 O18 V4 -","2","1","","Konnert, Judith A.; Evans, Jr., Howard T.","Calcium divanadate dihydrate","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1975","31","11","2688","2690","10.1107/s0567740875008497","","","","","","","","","","","","","","","","","","","","","has coordinates","203505","2020-10-21","18:00:00",""
"2106703","6.895","","11.9536","","34.518","","90","","90","","90","","2844.98","","","","","","","","","","","","","2","F 1 d 1","C -2yc (x+1/2*z,y,1/2*z)","9","","","","- Fe11 S12 -","- Fe11 S12 -","- Fe88 S96 -","8","","","Koto, K.; Morimoto, N.; Gyobu, A.","The superstructure of the intermediate pyrrhotite. I. Partially disordered distribution of metal vacancy in the 6C type, Fe~11~S~12~","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1975","31","12","2759","2764","10.1107/s0567740875008849","","","","","","","","","","","","","","","","","","","","","has coordinates","278039","2022-09-21","12:15:31",""
"2106784","23.38","","23.38","","14.959","","90","","90","","120","","7081.45","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Rb5 I (I3) (Bi I6) (H2 O)2","","- Bi H4 I10 O2 Rb5 -","- Bi H4 I10 O2 Rb5 -","- Bi9 H36 I90 O18 Rb45 -","9","0.25","","Lazarini, F.","Rubidium iodide triiodide hexaiodobismuthate(III) dihydrate","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1977","33","6","1957","1959","10.1107/s0567740877007407","","","","","","","","","","","","","","","","","","","","","has coordinates","203505","2020-10-21","18:00:00",""
"2106854","19.4","","7.5","","8.3","","90","","90","","90","","1207.65","","","","","","","","","","","","","6","C c m m","-C 2c 2c","63","","Sr (Fe (C N)5 N O) (H2 O)2","","- C5 H4 Fe N6 O3 Sr -","- C5 H4 Fe N6 O3 Sr -","- C20 H16 Fe4 N24 O12 Sr4 -","4","0.25","","Castellano, E. E.; Piro, O. E.; Podjarny, A. D.; Rivero, B. E.; Aymonino, P. J.; Lesk, J. H.; Varetti, E. L.","The Crystal and Molecular Structure of Strontium Nitroprusside Dihydrate","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1978","34","9","2673","2676","10.1107/s0567740878008997","","","","","","","","","","","","","","","","","","","","","has coordinates","209180","2020-10-21","18:00:00",""
"2106858","13.999","","8.363","","10.468","","90","","90","","90","","1225.53","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N S Sb F6","","- F6 N S Sb -","- F6 N S Sb -","- F48 N8 S8 Sb8 -","8","1","","Clegg, W.; Glemser, O.; Harms, K.; Hartmann, G.; Mews, R.; Noltemeyer, M.; Sheldrick, G. M.","Crystal Structures of Thionitrosyl Hexafluoroantimonate(V) and Thionitrosyl Undecafluorodiantimonate(V) at 293 K and of Thionitrosyl Undecafluorodiantimonate(V) at 121.5 K: The Effect of Thermal Motion on the Apparent NS Bond Length","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1981","37","3","548","552","10.1107/s0567740881003555","","","","","","","","","","","","","","","","","","","","","has coordinates","211061","2020-10-21","18:00:00",""
"2106859","8.374","","11.792","","10.108","","90","","91.89","","90","","997.584","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N S Sb2 F11","","- F11 N S Sb2 -","- F11 N S Sb2 -","- F44 N4 S4 Sb8 -","4","1","","Clegg, W.; Glemser, O.; Harms, K.; Hartmann, G.; Mews, R.; Noltemeyer, M.; Sheldrick, G. M.","Crystal Structures of Thionitrosyl Hexafluoroantimonate(V) and Thionitrosyl Undecafluorodiantimonate(V) at 293 K and of Thionitrosyl Undecafluorodiantimonate(V) at 121.5 K: The Effect of Thermal Motion on the Apparent NS Bond Length","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1981","37","3","548","552","10.1107/s0567740881003555","","","","","","","","","","","","","","","","","","","","","has coordinates","211061","2020-10-21","18:00:00",""
"2107035","9.9809","","9.9809","","11.556","","90","","90","","120","","996.96","","","","","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","Cd Mg2 Cl6 (H2 O)12","","- Cd Cl6 H24 Mg2 O12 -","- Cd Cl6 H24 Mg2 O12 -","- Cd2 Cl12 H48 Mg4 O24 -","2","0.333333","","Ledésert, M.; Monier, J. C.","Structure de l'hexachlorure de cadmium et dimagnésium dodécahydraté","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1981","37","3","652","654","10.1107/S0567740881003798","","","","","","","","","","","","","","","","","","","","","has coordinates","203505","2020-10-21","18:00:00",""
"2107095","10.294","","5.934","","4.8032","","90","","90.13","","90","","293.401","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Li2 Ti F6 (H2 O)2","","- F6 H4 Li2 O2 Ti -","- F6 H4 Li2 O2 Ti -","- F12 H8 Li4 O4 Ti2 -","2","0.25","","Marseglia, E. A.; Brown, I. D.","Lithium hexafluorotitanate dihydrate and lithium hexafluorostannate dihydrate","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1973","29","6","1352","1354","10.1107/s0567740873004498","","","","","","","","","","","","","","","","","","","","","has coordinates","203505","2020-10-21","18:00:00",""
"2107096","9.818","","6.101","","4.727","","90","","90.96","","90","","283.106","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Li2 Sn F6 (H2 O)2","","- F6 H4 Li2 O2 Sn -","- F6 H4 Li2 O2 Sn -","- F12 H8 Li4 O4 Sn2 -","2","0.25","","Marseglia, E. A.; Brown, I. D.","Lithium hexafluorotitanate dihydrate and lithium hexafluorostannate dihydrate","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1973","29","6","1352","1354","10.1107/s0567740873004498","","","","","","","","","","","","","","","","","","","","","has coordinates","203505","2020-10-21","18:00:00",""
"2107994","9.268","0.005","26.601","0.005","2.888","0.002","90","","90","","90","","712","0.6","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","Na4Mn4Ti5O18, W.G. Mumme, Acta Cryst.,","","","- Mn4 Na4 O18 Ti5 -","- Mn4 Na6 O18 Ti5 -","- Mn8 Na12 O36 Ti10 -","2","0.25","","Mumme, W. G.","The structure of Na~4~Mn~4~Ti~5~O~18~","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1968","24","8","1114","1120","10.1107/s0567740868003778","","","","","","","","","","","","","","","","","","","","","has coordinates","200777","2020-10-21","18:00:00",""
"2107995","51.8","0.02","2.975","0.001","10.302","0.004","90","","103.8","0.02","90","","1541.8","1","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","Ga4Ti21O48","","","- Ga4 O48 Ti21 -","- Ga3.28 O48 Ti21.54 -","- Ga6.56 O96 Ti43.08 -","2","0.25","","Lloyd, D. J.; Grey, I. E.; Bursill, L. A.","The structure of Ga~4~Ti~21~O~48~","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1976","32","6","1756","1761","10.1107/s0567740876006341","","","","","","","","","","","","","","","","","","","","","has coordinates","200777","2020-10-21","18:00:00",""
"5000039","5.67","0.002","15.201","0.002","6.533","0.002","90","","118.6","0.07","90","","494.4","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","Calcium sulfate dihydrate","Gypsum","- Ca H4 O6 S -","- Ca H4 O6 S -","- Ca4 H16 O24 S4 -","4","0.5","","Cole, W. F.; Lancucki, C. J.","A refinement of the crystal structure of gypsum CaSO~4~.2H~2~O","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1974","30","4","921","929","10.1107/S0567740874004055","","","","","","0.011","","","","","","","","","","","","","","","has coordinates","199780","2020-10-21","18:00:00",""
"5000091","5.716","0.009","3.348","0.004","5.799","0.007","90","","90","","90","","111","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Iron sulfide","Pyrrhotite","?","- Fe S -","- Fe4 S4 -","4","0.5","","King, H. E.; Prewitt, C. T.","High-pressure and high-temperature polymorphism of iron sulfide (FeS)","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1982","38","7","1877","1887","10.1107/S0567740882007523","","","","","","","","","","","","","","","","","","","","","has coordinates","199780","2020-10-21","18:00:00",""
"5000229","11.233","0.006","10.142","0.005","7.097","0.004","90","","97.37","0.02","90","","801.8","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Pentalead tris(vanadate) chloride","Vanadinite, Brazilianite","?","- Al3 H4 Na O12 P2 -","- Al12 H16 Na4 O48 P8 -","4","1","","Gatehouse, B. M.; Miskin, B. K.","The crystal structure of brazilianite, NaAl~3~(PO~4~)~2~(OH)~4~","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1974","30","5","1311","1317","10.1107/S0567740874004730","","","","","","","","","","","","","","","","","","","","","has coordinates","199780","2020-10-21","18:00:00",""