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Information card for entry 3500056
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| Coordinates | 3500056.cif |
|---|
| Formula | H12 Ni12 O38 P8 |
|---|---|
| Calculated formula | Ni12 O38 P8 |
| Title of publication | Ni12(HPO4)6(PO4)2(OH)6 P63mc related to COD 4313804 and to COD 1000115 and dumortierite |
| Authors of publication | Armel Le Bail |
| Journal of publication | Personal communication to COD |
| Year of publication | 2016 |
| a | 12.4544 ± 0.0004 Å |
| b | 12.4544 ± 0.0004 Å |
| c | 4.94856 ± 0.00018 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 664.75 ± 0.04 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 4 |
| Space group number | 186 |
| Hermann-Mauguin space group symbol | P 63 m c |
| Hall space group symbol | P 6c -2c |
| Residual factor R(I) for significantly intense reflections | 3.0816 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 189008 (current) | 2016-12-08 | cif/ Updating files of 3500056 Original log message: Corrected occupancy number of atom Ni2 |
3500056.cif |
| 188995 | 2016-12-07 | cif/ Adding structures of 3500056 via cif-deposit CGI script. |
3500056.cif |
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Users of the data should acknowledge the original authors of the
structural data.