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Information card for entry 4313239
Preview
| Coordinates | 4313239.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Al0.44 Ca Mg1.56 |
|---|---|
| Calculated formula | Ca Mg2 |
| SMILES | [Mg].[Mg].[Ca] |
| 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 | 6.0755 ± 0.0004 Å |
| b | 6.0755 ± 0.0004 Å |
| c | 9.7708 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 312.34 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.053 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0478 |
| Weighted residual factors for all reflections included in the refinement | 0.1029 |
| Goodness-of-fit parameter for all reflections included in the refinement | 6.642 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288183 (current) | 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. |
4313239.cif |
| 273129 | 2022-02-23 | cif/4 Fixing Z values and formulae |
4313239.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. |
4313239.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313239.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4313239.cif |
| 6308 | 2011-01-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4313239 via cif-deposit CGI script. |
4313239.cif |
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Users of the data should acknowledge the original authors of the
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