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Information card for entry 4311321
Preview
| Coordinates | 4311321.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba Mg2 |
|---|---|
| Calculated formula | Ba Mg2 |
| SMILES | [Ba].[Mg].[Mg] |
| Title of publication | Phase Stability in the Systems AeAl2-xMgx (Ae = Ca, Sr, Ba): Electron Concentration and Size Controlled Variations on the Laves Phase Structural Theme |
| Authors of publication | Shahrad Amerioun; Tadahiro Yokosawa; Sven Lidin; Ulrich Häussermann |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 4751 - 4760 |
| a | 6.6699 ± 0.0009 Å |
| b | 6.6699 ± 0.0009 Å |
| c | 10.602 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 408.47 ± 0.11 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 | 0.0343 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0575 |
| Weighted residual factors for all reflections included in the refinement | 0.0603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| 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. |
4311321.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. |
4311321.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4311321.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4311321.cif |
| 2816 | 2010-11-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4311321 via cif-deposit CGI script. |
4311321.cif |
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Users of the data should acknowledge the original authors of the
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