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Information card for entry 4338680
Preview
| Coordinates | 4338680.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | calcium iron palladium arsenide |
|---|---|
| Formula | As6 Ca3 Fe4.741 Pd4.259 |
| Calculated formula | As6 Ca3 Fe4.742 Pd4.258 |
| Title of publication | Framework structures of interconnected layers in calcium iron arsenides. |
| Authors of publication | Stürzer, Tobias; Hieke, Christine; Löhnert, Catrin; Nitsche, Fabian; Stahl, Juliane; Maak, Christian; Pobel, Roman; Johrendt, Dirk |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 12 |
| Pages of publication | 6235 - 6240 |
| a | 19.8555 ± 0.0033 Å |
| b | 3.9461 ± 0.0005 Å |
| c | 15.3433 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1202.2 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0658 |
| Residual factor for significantly intense reflections | 0.0225 |
| Weighted residual factors for significantly intense reflections | 0.0439 |
| Weighted residual factors for all reflections included in the refinement | 0.0487 |
| Goodness-of-fit parameter for significantly intense reflections | 1.01 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.76 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287929 (current) | 2023-12-01 | cif/ (antanas@oposumas) Removed several misspelt bibliography-related data items from multiple entries. |
4338680.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4338680.cif |
| 119085 | 2014-07-05 | cif/ Updating files of 4338677, 4338678, 4338679, 4338680, 4338681, 4338682, 4338683, 4338684 Original log message: Adding full bibliography for 4338677--4338684.cif. |
4338680.cif |
| 115367 | 2014-06-03 | cif/ Adding structures of 4338677, 4338678, 4338679, 4338680, 4338681, 4338682, 4338683, 4338684 via cif-deposit CGI script. |
4338680.cif |
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Users of the data should acknowledge the original authors of the
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