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Information card for entry 2312737
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| Coordinates | 2312737.cif |
|---|---|
| Structure factors | 2312737.hkl |
| Original paper (by DOI) | HTML |
| Formula | Ca0.31 Mn0.14 Na5 O12 P3 Zn1.55 |
|---|---|
| Calculated formula | Ca0.31 Mn0.14 Na5.005 O12 P3 Zn1.545 |
| Title of publication | A rare case of Na/Zn isomorphism in the crystal structure of acentric zincophosphate Na<sub>5</sub>Zn[Zn(PO<sub>4</sub>)<sub>3</sub>]. |
| Authors of publication | Yakubovich, Olga V.; Kiriukhina, Galina V.; Volkov, Anatoly S.; Dimitrova, Olga V. |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 1 |
| a | 12.9901 ± 0.0002 Å |
| b | 16.2647 ± 0.0003 Å |
| c | 5.2158 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1101.99 ± 0.03 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0319 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0663 |
| Weighted residual factors for all reflections included in the refinement | 0.0668 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.228 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296933 (current) | 2024-12-20 | cif/ hkl/ Adding structures of 2312737 via cif-deposit CGI script. |
2312737.cif 2312737.hkl |
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