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Information card for entry 2107993
Preview
| Coordinates | 2107993.cif |
|---|---|
| Structure factors | 2107993.hkl |
| Original IUCr paper | HTML |
| Formula | Al7.62 Ca18.1 Fe2.55 Mg0.63 Na0.9 O78 Si18 Ti2.2 |
|---|---|
| Calculated formula | Al7.616 Ca18.104 Fe2.576 Mg0.616 Na0.896 O78 Si18 Ti2.192 |
| Title of publication | Towards a revisitation of vesuvianite-group nomenclature: the crystal structure of Ti-rich vesuvianite from Alchuri, Shigar Valley, Pakistan |
| Authors of publication | Aksenov, Sergey M.; Chukanov, Nikita V.; Rusakov, Vyacheslav S.; Panikorovskii, Taras L.; Rastsvetaeva, Ramiza K.; Gainov, Ramil R.; Vagizov, Farit G.; Lyssenko, Konstantin A.; Belakovskiy, Dmitry I. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 5 |
| Pages of publication | 744 - 752 |
| a | 15.5326 ± 0.0002 Å |
| b | 15.5326 ± 0.0002 Å |
| c | 11.804 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2847.85 ± 0.07 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 8 |
| Space group number | 126 |
| Hermann-Mauguin space group symbol | P 4/n n c :2 |
| Hall space group symbol | -P 4a 2bc |
| Residual factor for all reflections | 0.0356 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0534 |
| Weighted residual factors for all reflections included in the refinement | 0.0565 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186845 (current) | 2016-09-30 | cif/ hkl/ Adding structures of 2107993 via cif-deposit CGI script. |
2107993.cif 2107993.hkl |
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Users of the data should acknowledge the original authors of the
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