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Information card for entry 2310787
Preview
| Coordinates | 2310787.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | O7 P2 Zn2 |
|---|---|
| Calculated formula | O7 P2 Zn2 |
| Title of publication | The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. |
| Authors of publication | Stöger, Berthold; Weil, Matthias; Dušek, Michal |
| Journal of publication | Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | 539 - 554 |
| a | 20.1131 ± 0.0013 Å |
| b | 8.2769 ± 0.0006 Å |
| c | 9.109 ± 0.003 Å |
| α | 90° |
| β | 106.338 ± 0.016° |
| γ | 90° |
| Cell volume | 1455.2 ± 0.5 Å3 |
| Cell temperature | 350 K |
| Ambient diffraction temperature | 350 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/c 1 |
| Hall space group symbol | -I 2yc |
| Residual factor for all reflections | 0.0198 |
| Residual factor for significantly intense reflections | 0.0159 |
| Weighted residual factors for significantly intense reflections | 0.0222 |
| Weighted residual factors for all reflections included in the refinement | 0.0229 |
| Goodness-of-fit parameter for significantly intense reflections | 1.53 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.47 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201400 (current) | 2017-09-28 | cif/2/31/07/ Updating bibliography in entries 2310787-2310795. |
2310787.cif |
| 201208 | 2017-09-25 | cif/ Removing the _symmetry_equiv_pos_* loops from entries 1542354, 2104869, 2104870, 2105299, 2221169, 2239860, 2310787, 2240938, 4030545, 4084480, 4084845, 4345557, 7111951, 7154122, 7223026 since identical information is alrady provided in the _space_group_symop_* loops. |
2310787.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2310787.cif |
| 160965 | 2015-10-08 | cif/ Adding structures of 2310787, 2310788, 2310789, 2310790, 2310791, 2310792, 2310793, 2310794, 2310795 via cif-deposit CGI script. |
2310787.cif |
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Users of the data should acknowledge the original authors of the
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