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Information card for entry 4339977
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| Coordinates | 4339977.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Au0.987 Cd4.07 |
|---|---|
| Calculated formula | Au0.986667 Cd4.06989 |
| Title of publication | AuCd4: A Hume-Rothery Phase with VEC of 1.8 and Icosahedral and Trigonal-Prismatic Clusters as Building Blocks. |
| Authors of publication | Jana, Partha P.; Lidin, Sven |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 3 |
| Pages of publication | 713 - 721 |
| a | 21.3259 ± 0.0014 Å |
| b | 21.3259 ± 0.0014 Å |
| c | 14.1254 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5563.5 ± 0.6 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 2 |
| Space group number | 176 |
| Hermann-Mauguin space group symbol | P 63/m |
| Hall space group symbol | -P 6c |
| Residual factor for all reflections | 0.0982 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.0769 |
| Weighted residual factors for all reflections included in the refinement | 0.098 |
| Goodness-of-fit parameter for significantly intense reflections | 1.14 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288070 (current) | 2023-12-06 | cif/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9818. This change affected only the misspelt variants of the '_atom_site_site_symmetry_multiplicity' and '_atom_site_refinement_flag' data names. |
4339977.cif |
| 179502 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/99. |
4339977.cif |
| 130561 | 2015-02-04 | cif/ Updating files of 4339977, 4339978 Original log message: Adding full bibliography for 4339977--4339978.cif. |
4339977.cif |
| 126004 | 2014-10-30 | cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds. |
4339977.cif |
| 117811 | 2014-06-18 | cif/ Adding structures of 4339977, 4339978 via cif-deposit CGI script. |
4339977.cif |
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Users of the data should acknowledge the original authors of the
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