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Information card for entry 2240761
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| Coordinates | 2240761.cif |
|---|---|
| Structure factors | 2240761.hkl |
| Original IUCr paper | HTML |
| Chemical name | Disodium dizinc iron(III) tris(phosphate) |
|---|---|
| Formula | Fe1.33 Na1.67 O12 P3 Zn1.67 |
| Calculated formula | Fe1.336 Na1.664 O12 P3 Zn1.664 |
| Title of publication | Crystal structure of a sodium, zinc and iron(III)-based non-stoichiometric phosphate with an alluaudite-like structure: Na~1.67~Zn~1.67~Fe~1.33~(PO~4~)~3~ |
| Authors of publication | Khmiyas, Jamal; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | 690 - 692 |
| a | 11.7545 ± 0.0004 Å |
| b | 12.508 ± 0.0004 Å |
| c | 6.4014 ± 0.0002 Å |
| α | 90° |
| β | 113.507 ± 0.001° |
| γ | 90° |
| Cell volume | 863.06 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0182 |
| Residual factor for significantly intense reflections | 0.0168 |
| Weighted residual factors for significantly intense reflections | 0.0455 |
| Weighted residual factors for all reflections included in the refinement | 0.0459 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.189 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240761.cif 2240761.hkl |
| 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. |
2240761.cif 2240761.hkl |
| 137295 | 2015-05-24 | cif/ hkl/ Adding structures of 2240761 via cif-deposit CGI script. |
2240761.cif 2240761.hkl |
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Users of the data should acknowledge the original authors of the
structural data.