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Information card for entry 4313238
Preview
| Coordinates | 4313238.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | Ca Mg2 |
|---|---|
| Calculated formula | Ca Mg2 |
| SMILES | [Ca].[Mg].[Mg] |
| Title of publication | Laves-Phase Structural Changes in the System CaAl2-xMgx |
| Authors of publication | Shahrad Amerioun; Sergei I. Simak; Ulrich Häussermann |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 1467 - 1474 |
| a | 6.2613 ± 0.0005 Å |
| b | 6.2613 ± 0.0005 Å |
| c | 10.1573 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 344.86 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 194 |
| Hermann-Mauguin space group symbol | P 63/m m c |
| Hall space group symbol | -P 6c 2c |
| Residual factor for all reflections | 0.015 |
| Residual factor for significantly intense reflections | 0.0109 |
| Weighted residual factors for significantly intense reflections | 0.0233 |
| Weighted residual factors for all reflections included in the refinement | 0.0238 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.187 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4313238.cif |
| 288183 | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name. |
4313238.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4313238.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313238.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4313238.cif |
| 6307 | 2011-01-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4313238 via cif-deposit CGI script. |
4313238.cif |
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Users of the data should acknowledge the original authors of the
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