Crystallography Open Database

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Searching journal of publication like 'Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry'

COD ID: 1000175
CIF file Formula: - Al F4 Rb -
Comments: 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 36(9) (1980) 1997-2000
Space group: I -4 c 2
Cell volume: 1708.1
Cell parameters: 11.666; 11.666; 12.551; 90; 90; 90;  

COD ID: 1001000
CIF file Formula: - Ca H4 N2 O8 -
Comments: 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 32(4) (1976) 1496-1499
Space group: C c c a :2
Cell volume: 2468.8
Cell parameters: 11.827; 16.538; 12.622; 90; 90; 90;  

COD ID: 1001018
CIF file Formula: - Ca Cl2 H8 O4 -
Comments: Leclaire, A.; Borel, M. M. La forme β du dichlorure de calcium tétrahydraté Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 34(3) (1978) 900-902
Space group: P 1 21/c 1
Cell volume: 1059.7
Cell parameters: 8.923; 10.221; 12.787; 90; 114.68; 90;  

COD ID: 1001023
CIF file Formula: - Ca H4 N2 O8 -
Comments: 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 30(3) (1974) 605-607
Space group: C 1 2/c 1
Cell volume: 654.9
Cell parameters: 7.79; 6.88; 12.22; 90; 90; 90;  

COD ID: 1007008
CIF file Formula: - H8 N2 O13 P4 Si -
Comments: 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 32(11) (1976) 2957-2960
Space group: P -1
Cell volume: 554
Cell parameters: 15.14; 7.684; 4.861; 97.86; 96.74; 83.89;  

COD ID: 1008018
CIF file Formula: - C8 H10 Hf K4 O21 -
Comments: 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 33 (1977) 3126-3133
Space group: P 1 21/c 1
Cell volume: 2088.8
Cell parameters: 10.64; 12.35; 15.94; 90; 94.27; 90;  

COD ID: 1008031
CIF file Formula: - H O4 P Sr -
Comments: 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 34(9) (1978) 2692-2695
Space group: P -1
Cell volume: 340.8
Cell parameters: 7.184; 6.79; 7.256; 94.68; 104.97; 88.77;  

COD ID: 1008169
CIF file Formula: - Ba Cr2 O7 -
Comments: 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 35(11) (1979) 2685-2687
Space group: C 1 2/c 1
Cell volume: 2563.9
Cell parameters: 16.31; 16.67; 9.474; 90; 95.53; 90;  

COD ID: 1008182
CIF file Formula: - F10 Lu3 Rb -
Comments: 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 38(1) (1982) 75-79
Space group: A c a m
Cell volume: 1780.5
Cell parameters: 16.013; 13.182; 8.435; 90; 90; 90;  

COD ID: 1008837
CIF file Formula: - F7 Ho2 K -
Comments: 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 38(5) (1982) 1431-1436
Space group: C 1 m 1
Cell volume: 1114.9
Cell parameters: 14.287; 8.004; 11.95; 90; 125.33; 90;  

COD ID: 1100096
CIF file Formula: - H10 Mg O9 S -
Comments: 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 28(5) (1972) 1448-1455
Space group: P -1
Cell volume: 364.4
Cell parameters: 6.314; 10.565; 6.03; 81.12; 109.82; 105.08;  

COD ID: 1100276
CIF file Formula: - C17 H23 Br O2 -
Comments: 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 36(12) (1980) 3157-3159
Space group: P -1
Cell volume: 794.01
Cell parameters: 7.378; 9.74; 11.406; 80.83; 81.26; 81.88;  

COD ID: 1100292
CIF file Formula: - C11 H14 O5 -
Comments: 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 36(12) (1980) 3156-3157
Space group: P 21 21 21
Cell volume: 1100.18
Cell parameters: 8.116; 9.684; 13.998; 90; 90; 90;  

COD ID: 1100309
CIF file Formula: - C9 H20 Cl N O -
Comments: 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 36(12) (1980) 3206-3208
Space group: P 21 21 21
Cell volume: 1061.93
Cell parameters: 7.44; 11.609; 12.295; 90; 90; 90;  

COD ID: 1100310
CIF file Formula: - C22 H28 O2 Se -
Comments: 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 36(12) (1980) 3159-3162
Space group: P 1 21 1
Cell volume: 1005.73
Cell parameters: 10.298; 9.915; 10.835; 90; 114.62; 90;  

COD ID: 2000047
CIF file Formula: - C41 H32 Ir4 O12 P2 -
Comments: 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 38 (1982) 1916-1920
Space group: P 21 21 21
Cell volume: 4987.02
Cell parameters: 12.009; 19.943; 20.823; 90; 90; 90;  

COD ID: 2000112
CIF file Formula: - C9 H8 N2 O S -
Comments: 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 27(1) (1971) 95-108
Space group: P 1 21/c 1
Cell volume: 1807.63
Cell parameters: 9.3; 33.25; 6.75; 90; 120; 90;  

COD ID: 2000119
CIF file Formula: - C8 H28 Mn2 O16 -
Comments: 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 30(9) (1974) 2234-2236
Space group: P 1 21/c 1
Cell volume: 1550.87
Cell parameters: 11.1; 17.51; 9.09; 90; 118.62; 90;  

COD ID: 2000120
CIF file Formula: - C6 H8 N2 O7 Zn -
Comments: 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 30(3) (1974) 628-633
Space group: P -1
Cell volume: 480.141
Cell parameters: 6.488; 9.873; 9.999; 130.11; 87.1; 100.32;  

COD ID: 2000121
CIF file Formula: - C12 H12 Co2 N4 O12 -
Comments: 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 29(5) (1973) 1111-1115
Space group: P c c a
Cell volume: 1738.69
Cell parameters: 8.037; 13.977; 15.478; 90; 90; 90;  

COD ID: 2105790
CIF file Formula: - Mn O2 -
Comments: Baur, W. H. Rutile-type compounds. V. Refinement of MnO~2~ and MgF~2~ Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 32(7) (1976) 2200-2204
Space group: P 42/m n m
Cell volume: 55.578
Cell parameters: 4.3983; 4.3983; 2.873; 90; 90; 90;  

COD ID: 2105791
CIF file Formula: - Mn2 O3 -
Comments: 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 27(4) (1971) 821-828
Space group: I a -3
Cell volume: 834.46
Cell parameters: 9.4146; 9.4146; 9.4146; 90; 90; 90;  

COD ID: 2105964
CIF file Formula: - C2 H2 Ca O5 -
Comments: 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 37(4) (1981) 826-829
Space group: I 1 2/m 1
Cell volume: 437.82
Cell parameters: 9.978; 7.295; 6.292; 90; 107.07; 90;  

COD ID: 2106193
CIF file Formula: - H14 K Mg Nb O15 -
Comments: 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 27(8) (1971) 1598-1609
Space group: P 1 21/c 1
Cell volume: 1285.19
Cell parameters: 11.95; 12.19; 14.08; 90; 141.2; 90;  

COD ID: 2106697
CIF file Formula: - Ca2 H4 O9 V2 -
Comments: Konnert, Judith A.; Evans, Jr., Howard T. Calcium divanadate dihydrate Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 31(11) (1975) 2688-2690
Space group: P -1
Cell volume: 391.317
Cell parameters: 8.1344; 8.2019; 6.8683; 96.238; 113.355; 106.192;  

COD ID: 2106703
CIF file Formula: - Fe11 S12 -
Comments: 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 31(12) (1975) 2759-2764
Space group: F 1 d 1
Cell volume: 2844.98
Cell parameters: 6.895; 11.9536; 34.518; 90; 90; 90;  

COD ID: 2106784
CIF file Formula: - Bi H4 I10 O2 Rb5 -
Comments: Lazarini, F. Rubidium iodide triiodide hexaiodobismuthate(III) dihydrate Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 33(6) (1977) 1957-1959
Space group: R -3 m :H
Cell volume: 7081.45
Cell parameters: 23.38; 23.38; 14.959; 90; 90; 120;  

COD ID: 2106854
CIF file Formula: - C5 H4 Fe N6 O3 Sr -
Comments: 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 34(9) (1978) 2673-2676
Space group: C c m m
Cell volume: 1207.65
Cell parameters: 19.4; 7.5; 8.3; 90; 90; 90;  

COD ID: 2106858
CIF file Formula: - F6 N S Sb -
Comments: 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 37(3) (1981) 548-552
Space group: P b c a
Cell volume: 1225.53
Cell parameters: 13.999; 8.363; 10.468; 90; 90; 90;  

COD ID: 2106859
CIF file Formula: - F11 N S Sb2 -
Comments: 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 37(3) (1981) 548-552
Space group: P 1 21/c 1
Cell volume: 997.584
Cell parameters: 8.374; 11.792; 10.108; 90; 91.89; 90;  

COD ID: 2107035
CIF file Formula: - Cd Cl6 H24 Mg2 O12 -
Comments: Ledésert, M.; Monier, J. C. Structure de l'hexachlorure de cadmium et dimagnésium dodécahydraté Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 37(3) (1981) 652-654
Space group: P 3 1 c
Cell volume: 996.96
Cell parameters: 9.9809; 9.9809; 11.556; 90; 90; 120;  

COD ID: 2107095
CIF file Formula: - F6 H4 Li2 O2 Ti -
Comments: Marseglia, E. A.; Brown, I. D. Lithium hexafluorotitanate dihydrate and lithium hexafluorostannate dihydrate Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 29(6) (1973) 1352-1354
Space group: C 1 2/m 1
Cell volume: 293.401
Cell parameters: 10.294; 5.934; 4.8032; 90; 90.13; 90;  

COD ID: 2107096
CIF file Formula: - F6 H4 Li2 O2 Sn -
Comments: Marseglia, E. A.; Brown, I. D. Lithium hexafluorotitanate dihydrate and lithium hexafluorostannate dihydrate Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 29(6) (1973) 1352-1354
Space group: C 1 2/m 1
Cell volume: 283.106
Cell parameters: 9.818; 6.101; 4.727; 90; 90.96; 90;  

COD ID: 2107994
CIF file Formula: - Mn4 Na4 O18 Ti5 -
Comments: Mumme, W. G. The structure of Na~4~Mn~4~Ti~5~O~18~ Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 24(8) (1968) 1114-1120
Space group: P b a m
Cell volume: 712
Cell parameters: 9.268; 26.601; 2.888; 90; 90; 90;  

COD ID: 2107995
CIF file Formula: - Ga4 O48 Ti21 -
Comments: 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 32(6) (1976) 1756-1761
Space group: C 1 2/m 1
Cell volume: 1541.8
Cell parameters: 51.8; 2.975; 10.302; 90; 103.8; 90;  

COD ID: 5000039
CIF file Formula: - Ca H4 O6 S -
Comments: 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 30(4) (1974) 921-929
Space group: I 1 2/c 1
Cell volume: 494.4
Cell parameters: 5.67; 15.201; 6.533; 90; 118.6; 90;  

COD ID: 5000091
CIF file Formula: ?
Comments: 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 38(7) (1982) 1877-1887
Space group: P n m a
Cell volume: 111
Cell parameters: 5.716; 3.348; 5.799; 90; 90; 90;  

COD ID: 5000229
CIF file Formula: ?
Comments: 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 30(5) (1974) 1311-1317
Space group: P 1 21/n 1
Cell volume: 801.8
Cell parameters: 11.233; 10.142; 7.097; 90; 97.37; 90;  


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