Crystallography Open Database

Result : There are 30 entries in the selection

You can download the COD numbers of the selection as a text file

You can download all files as a single ZIP archive

Searching journal of publication like 'Acta Crystallographica, Section B: Structural Science' volume of publication is 44

COD ID: 2107061
CIF file Formula: - Ba O3 Pu -
Comments: Christoph, G.G.; Larson, A.C.; Eller, P.G.; Purson, J.D.; Zahrt, J.D.; Rinehart, G.H.; Penneman, R.A. Structure of barium plutonate by neutron powder diffraction Acta Crystallographica B (39,1983-) 44 (1988) 575-580
Space group: P b n m
Cell volume: 336.769
Cell parameters: 6.219; 6.193; 8.744; 90; 90; 90;  

COD ID: 2107065
CIF file Formula: - O47 W17 -
Comments: Dobson, M.M.; Tilley, R.J.D. A new pseudo-binary tungsten oxide, W17 O47 Acta Crystallographica B (39,1983-) 44 (1988) 474-480
Space group: P 1 2/m 1
Cell volume: 858.288
Cell parameters: 18.84; 3.787; 12.33; 90; 102.67; 90;  

COD ID: 2107166
CIF file Formula: - Ca H2 K O5 P -
Comments: Louer, M.; Louer, D.; Plevert, J. Structure of K Ca P O4 H2 O from X-ray powder diffraction data Acta Crystallographica B (39,1983-) 44 (1988) 463-467
Space group: C 1 2/m 1
Cell volume: 461.366
Cell parameters: 7.5834; 8.1568; 7.6541; 90; 102.975; 90;  

COD ID: 2107184
CIF file Formula: - Cl4 K2 Pd -
Comments: Takazawa, H.; Ohba, S.; Saito, Y. Electron-density distribution in crystals of dipotassium tetrachloropalladate(II) and dipotassium hexachloropalladate (IV), K2(PdCl4) and K2(PdCl6) at 120K Acta Crystallographica B (39,1983-) 44 (1988) 580-585
Space group: P 4/m m m
Cell volume: 201.387
Cell parameters: 7.0259; 7.0259; 4.0797; 90; 90; 90;  

COD ID: 2107185
CIF file Formula: - Cl6 K2 Pd -
Comments: Takazawa, H.; Ohba, S.; Saito, Y. Electron-density distribution in crystals of dipotassium tetrachloropalladate(II) and dipotassium hexachloropalladate (IV), K2(PdCl4) and K2(PdCl6) at 120K Acta Crystallographica B (39,1983-) 44 (1988) 580-585
Space group: F m -3 m
Cell volume: 895.117
Cell parameters: 9.6374; 9.6374; 9.6374; 90; 90; 90;  

COD ID: 2107191
CIF file Formula: - Au Te2 -
Comments: Schutte, W.J.; de Boer, J.L. Valence fluctuations in the incommensurately modulated structure of calaverite Au Te2 Acta Crystallographica B (39,1983-) 44 (1988) 486-494
Space group: C 1 2/m 1
Cell volume: 161.041
Cell parameters: 7.1947; 4.4146; 5.0703; 90; 90.038; 90;  

COD ID: 2108040
CIF file Formula: - C4 H12 N2 O13 Si6 -
Comments: Andrews, S. J.; Papiz, M. Z.; McMeeking, R.; Blake, A. J.; Lowe, B. M.; Franklin, K. R.; Helliwell, J. R.; Harding, M. M. Piperazine Silicate (EU 19): the Structure of a Very Small Crystal Determined with Synchrotron Radiation Acta Crystallographica, Section B: Structural Science 44(1) (1988) 73-77
Space group: C 1 2/c 1
Cell volume: 1492.8
Cell parameters: 13.57; 4.9; 22.46; 90; 91.67; 90;  

COD ID: 5910043
CIF file

Original IUCr paper

 Formula: - C4 H7 N3 O2 -
Comments: M. Eisenstein Static deformation densities for cytosine and adenine Acta Crystallographica Section B 44(4) (1988) 412-426
Space group: P 1 21/c 1
Cell volume: 561
Cell parameters: 7.728; 9.817; 7.52; 90; 100.5; 90;  

COD ID: 9007676
CIF file Formula: - Al1.5 H4 Na1.875 O6.125 S1.125 Si1.5 -
Comments: Tarling, S. E.; Barnes, P.; Klinowski, J. The structure and Si,Al distribution of the ultramarines Note: disordered synthetic counterpart to lazurite Note: occupancies changed to match formula Acta Crystallographica, Section B 44(2) (1988) 128-135
Space group: I -4 3 m
Cell volume: 737.244
Cell parameters: 9.0338; 9.0338; 9.0338; 90; 90; 90;  

COD ID: 9011244
CIF file Formula: - C10 H22 O3 -
Comments: Marsh, E. R.; Herbstein, F. H. More space group changes Acta Crystallographica, Section B: Structural Science 44(1) (1988) 77-88
Space group: F d d 2
Cell volume: 4581.22
Cell parameters: 18.421; 22.791; 10.912; 90; 90; 90;  

COD ID: 9011245
CIF file Formula: - C3 H3.5 N -
Comments: Marsh, R. E.; Herbstein, F. H. More space group changes Acta Crystallographica, Section B: Structural Science 44(1) (1988) 77-88
Space group: F d d 2
Cell volume: 2187.91
Cell parameters: 13.635; 26.353; 6.089; 89.87; 90; 90;  

COD ID: 9011246
CIF file Formula: - C7 H10 S2 -
Comments: Marsh, R. E.; Herbstein, F. H. More space group changes Acta Crystallographica, Section B: Structural Science 44(1) (1988) 77-88
Space group: F d d 2
Cell volume: 3107.98
Cell parameters: 11.419; 41.077; 6.626; 90; 90; 90;  

COD ID: 9011247
CIF file Formula: - C11 H8 Ce N18 O19 -
Comments: Marsh, R. E.; Herbstein, F. H. More space group changes Acta Crystallographica, Section B: Structural Science 44(1) (1988) 77-88
Space group: C 1 2/c 1
Cell volume: 3333.86
Cell parameters: 16.05; 13.14; 16.631; 90; 108.1; 90;  

COD ID: 9011248
CIF file Formula: - C19 H9 -
Comments: Marsh, R. E.; Herbstein, F. H. More space group changes Acta Crystallographica, Section B: Structural Science 44(1) (1988) 77-88
Space group: P 1 21/a 1
Cell volume: 2118.72
Cell parameters: 31.276; 3.7818; 21.663; 90; 124.22; 90;  

COD ID: 9011249
CIF file Formula: - As2 O9 S2 -
Comments: Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science 44(1) (1988) 77-88
Space group: P 1 21/c 1
Cell volume: 734.831
Cell parameters: 6.65; 6.671; 16.612; 90; 94.34; 90;  

COD ID: 9011250
CIF file Formula: - F7 Ho2 K -
Comments: Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science 44(1) (1988) 77-88
Space group: C 1 2/m 1
Cell volume: 1114.85
Cell parameters: 14.287; 8.004; 11.95; 90; 125.33; 90;  

COD ID: 9011251
CIF file Formula: - C16 H25 N O -
Comments: Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science 44(1) (1988) 77-88
Space group: C 1 2/c 1
Cell volume: 2838.03
Cell parameters: 24.28; 8.76; 14.03; 90; 108; 90;  

COD ID: 9011252
CIF file Formula: - As3 Cd2 I -
Comments: Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science 44(1) (1988) 77-88
Space group: C 1 2/c 1
Cell volume: 632.509
Cell parameters: 8.436; 9.594; 7.952; 90; 100.65; 90;  

COD ID: 9011253
CIF file Formula: - C2 Br2 O Tl -
Comments: Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science 44(1) (1988) 77-88
Space group: C m c m
Cell volume: 1372.34
Cell parameters: 10.31; 8.56; 15.55; 90; 90; 90;  

COD ID: 9011254
CIF file Formula: - C12 Cl3 Cr2 F2 N8 O14 -
Comments: Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science 44(1) (1988) 77-88
Space group: P -1
Cell volume: 780.18
Cell parameters: 10.71; 9.047; 8.785; 111.25; 100.44; 86.6;  

COD ID: 9011255
CIF file Formula: - C6 H13 I S -
Comments: Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science 44(1) (1988) 77-88
Space group: P n a m
Cell volume: 884.829
Cell parameters: 18.038; 6.611; 7.42; 90; 90; 90;  

COD ID: 9011256
CIF file Formula: - C24 H2 N2 O5 -
Comments: Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science 44(1) (1988) 77-88
Space group: C 1 2/c 1
Cell volume: 5210.03
Cell parameters: 18.943; 11.318; 24.376; 90; 94.5; 90;  

COD ID: 9011257
CIF file Formula: - Er2 F7 K -
Comments: Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science 44(1) (1988) 77-88
Space group: P n a m
Cell volume: 1231.77
Cell parameters: 11.82; 13.333; 7.816; 90; 90; 90;  

COD ID: 9011258
CIF file Formula: - Ag0.1 Au0.9 Te2 -
Comments: Schutte, W. J.; de Boer, J. L. Valence fluctuations in the incommensurately modulated structure of calaverite AuTe2 Locality: Cripple Creek, Colorado Sample: T = 298 K Acta Crystallographica, Section B 44(5) (1988) 486-494
Space group: C 1 2/m 1
Cell volume: 161.041
Cell parameters: 7.1947; 4.4146; 5.0703; 90; 90.038; 90;  

COD ID: 9011259
CIF file Formula: - Ag0.1 Au0.9 Te2 -
Comments: Schutte, W. J.; de Boer, J. L. Valence fluctuations in the incommensurately modulated structure of calaverite AuTe2 Locality: Cripple Creek, Colorado Sample: T = 100 K Acta Crystallographica, Section B 44(5) (1988) 486-494
Space group: C 1 2/m 1
Cell volume: 159.846
Cell parameters: 7.182; 4.402; 5.056; 90; 89.99; 90;  

COD ID: 9015024
CIF file Formula: - Mg0.125 O1.872 Zr0.875 -
Comments: Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Note: model 3, O displaced along [111] Acta Crystallographica, Section B 44(2) (1988) 116-120
Space group: F m -3 m
Cell volume: 131.546
Cell parameters: 5.0858; 5.0858; 5.0858; 90; 90; 90;  

COD ID: 9015117
CIF file Formula: - O0.984 Y0.065 Zr0.935 -
Comments: Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Acta Crystallographica, Section B 44(2) (1988) 116-120
Space group: P 42/n m c
Cell volume: 67.334
Cell parameters: 3.6055; 3.6055; 5.1797; 90; 90; 90;  

COD ID: 9015434
CIF file Formula: - Mg0.125 O1.872 Zr0.875 -
Comments: Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Note: model 2, O displaced along [100] Acta Crystallographica, Section B 44(2) (1988) 116-120
Space group: F m -3 m
Cell volume: 131.546
Cell parameters: 5.0858; 5.0858; 5.0858; 90; 90; 90;  

COD ID: 9015643
CIF file Formula: - Mg0.096 O1.904 Zr0.904 -
Comments: Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Note: model 1, O atom not displaced Acta Crystallographica, Section B 44(2) (1988) 116-120
Space group: F m -3 m
Cell volume: 131.546
Cell parameters: 5.0858; 5.0858; 5.0858; 90; 90; 90;  

COD ID: 9016714
CIF file Formula: - O2 Zr -
Comments: Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Acta Crystallographica, Section B 44(2) (1988) 116-120
Space group: P 1 21/c 1
Cell volume: 140.881
Cell parameters: 5.1505; 5.2116; 5.3173; 90; 99.23; 90;  


Back to the search form
Your own data is not in the COD? Deposit it, thanks!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.