Crystallography Open Database
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Result: there are 195 entries in the selection
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Searching journal of publication like 'Acta Crystallographica Section A'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2310330 | CIF | Al2 O5 Si | P b n m | 5.891; 7.443; 6.044 90; 90; 90 | 265.01 | Oganov, A. P.; Price, G. D.; Brodholt, J. P. Theoretical investigation of metastable Al~2~SiO~5~ polymorphs Acta Crystallographica Section A, 2001, 57, 548-557 |
| 2310396 | CIF | H3 O6 Rb Se2 | P 21 21 21 | 5.9192; 17.9506; 12.5038 90; 90; 90 | 1328.57 | Grimm, H.; Fitzgerald, W.J. A neutron investigation of the low-temperature structure of Rb H3 (Se O3)2 Acta Crystallographica A (24,1968-38,1982), 1978, 34, 268-274 |
| 2310399 | CIF | Al Ho O3 | P b n m | 5.182; 5.324; 7.37 90; 90; 90 | 203.331 | Hammann, J.; Ocio, M. Etude par diffraction neutronique a 0.04 K de la perovskite d'aluminium et d'holmium Acta Crystallographica A (24,1968-38,1982), 1977, 33, 975-978 |
| 2310464 | CIF | Fe2 O6 W | P b c n | 4.576; 16.766; 4.967 90; 90; 90 | 381.074 | Pinto, H.; Shaked, H.; Melamud, M. Magnetic structure of Fe2 W O6, a neutron diffraction study Acta Crystallographica A (24,1968-38,1982), 1977, 33, 663-667 |
| 2310494 | CIF | N3 Na | R -3 m :H | 3.646; 3.646; 15.223 90; 90; 120 | 175.252 | Stevens, E.D.; Hope, H. A study of the electron-density distribution in sodium azide, Na N3 Acta Crystallographica A (24,1968-38,1982), 1977, 33, 723-729 |
| 2310495 | CIF | K N3 | I 4/m c m | 6.1188; 6.1188; 7.1015 90; 90; 90 | 265.878 | Stevens, E.D. Experimental charge density distribution in potassium azide by diffraction methods Acta Crystallographica A (24,1968-38,1982), 1977, 33, 580-584 |
| 2310514 | CIF | O2.12 U | F m -3 m | 5.4411; 5.4411; 5.4411 90; 90; 90 | 161.087 | Willis, B.T.M. The defect structure of hyper-stoichiometric uranium dioxide Acta Crystallographica A (24,1968-38,1982), 1978, 34, 88-90 |
| 2310631 | CIF | K Mn O4 | P n m a | 9.0509; 5.6381; 7.3582 90; 90; 90 | 375.488 | Marabello, D.; Bianchi, R.; Cargnoni, F.; Gervasio, G. An experimental (120 K) and theoretical electron-density study of KMnO~4~ and KClO~4~ Acta Crystallographica Section A, 2004, 60, 494-501 |
| 2310687 | CIF | O3 Sr Ti | I 4/m c m | 5.511; 5.511; 7.796 90; 90; 90 | 236.773 | Tsuda, K.; Tanaka, M. Refinement of crystal structure parameters using convergent-beam electron diffraction: the low-temperature phase of SrTiO~3~ Acta Crystallographica Section A, 1995, 51, 7-19 |
| 2310707 | CIF | Co F12 H18 N6 P2 | F m -3 m | 11.753; 11.753; 11.753 90; 90; 90 | 1623.48 | Schiebel, P.; Prandl, W.; Papoular, R.; Paulus, W. Almost Free Rotation of NH~3~ Molecules in Crystals: Observation from a Maximum-Entropy Reconstruction of the Proton Density in [Co(NH~3~)~6~](PF~6~)~2~ Acta Crystallographica Section A, 1996, 52, 189-197 |
| 2310708 | CIF | Se Ti2 | P n n m | 11.752; 14.534; 3.453 90; 90; 90 | 589.785 | Albe, K.; Weirich, T. E. Structure and stability of α- and β-Ti~2~Se. Electron diffraction versus density-functional theory calculations Acta Crystallographica Section A, 2003, 59, 18-21 |
| 2310709 | CIF | Se Ti2 | P n m a | 17.923; 3.455; 9.517 90; 90; 90 | 589.33 | Albe, K.; Weirich, T. E. Structure and stability of α- and β-Ti~2~Se. Electron diffraction versus density-functional theory calculations Acta Crystallographica Section A, 2003, 59, 18-21 |
| 2310710 | CIF | O2 Ti | I 41/a m d :2 | 3.872; 3.872; 9.616 90; 90; 90 | 144.167 | Weirich, T. E.; Winterer, M.; Seifried, S.; Mayer, J. Structure of nanocrystalline anatase solved and refined from electron powder data Acta Crystallographica Section A, 2002, 58, 308-315 |
| 2310711 | CIF | O8.94 U4 | F -4 3 m | 5.45; 5.45; 5.45 90; 90; 90 | 161.879 | Cooper, R. I.; Willis, B. T. M. Refinement of the structure of β-U~4~O~9~ Acta Crystallographica Section A, 2004, 60, 322-325 |
| 2310712 | CIF | O8.938 U4 | I -4 3 d | 21.805; 21.805; 21.805 90; 90; 90 | 10367.4 | Cooper, R. I.; Willis, B. T. M. Refinement of the structure of β-U~4~O~9~ Acta Crystallographica Section A, 2004, 60, 322-325 |
| 2310713 | CIF | Se3 Ti8 | C 1 2/m 1 | 25.56; 3.44; 19.7 90; 122.7; 90 | 1457.62 | Weirich, T. E. First-principles calculations as a tool for structure validation in electron crystallography Acta Crystallographica Section A, 2004, 60, 75-81 |
| 2310714 | CIF | Se4 Ti11 | C 1 2/m 1 | 25.51; 3.43; 19.19 90; 117.9; 90 | 1483.94 | Weirich, T. E. First-principles calculations as a tool for structure validation in electron crystallography Acta Crystallographica Section A, 2004, 60, 75-81 |
| 2310715 | CIF | Se16 Ti45 | C 1 2/m 1 | 36.31; 3.45; 16.59 90; 92.1; 90 | 2076.82 | Weirich, T. E. First-principles calculations as a tool for structure validation in electron crystallography Acta Crystallographica Section A, 2004, 60, 75-81 |
| 2310716 | CIF | Na O3 Ta | P c m n | 5.513; 7.7508; 5.4941 90; 90; 90 | 234.764 | Ahtee, M.; Unonius, L. The structure of Na Ta O3 by X-ray powder diffraction Acta Crystallographica A (24,1968-38,1982), 1977, 33, 150-154 |
| 2310717 | CIF | F Tl | P m a 2 | 5.175; 6.092; 5.488 90; 90; 90 | 173.015 | Alcock, N.W. The crystal structure of thallous fluoride Acta Crystallographica A (24,1968-38,1982), 1969, 25, S101-S101 |
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