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Information card for entry 2108349
Preview
| Coordinates | 2108349.cif |
|---|---|
| Structure factors | 2108349.hkl |
| Original paper (by DOI) | HTML |
| Mineral name | aravaite |
|---|---|
| Formula | C0.919 Ba2 Ca17.621 F3.462 Na0.379 O39.7 P2.96 Si6 |
| Calculated formula | C0.92 Ba2 Ca17.622 F3.456 Na0.378 O39.72 P2.96 Si6 |
| Title of publication | Aravaite, Ba~2~Ca~18~(SiO~4~)~6~(PO~4~)~3~(CO~3~)F~3~O: modular structure and disorder of a new mineral with single and triple antiperovskite layers |
| Authors of publication | Krüger, Biljana; Krüger, Hannes; Galuskin, Evgeny V.; Galuskina, Irina O.; Vapnik, Yevgeny; Olieric, Vincent; Pauluhn, Anuschka |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 6 |
| Pages of publication | 492 - 501 |
| a | 7.1255 ± 0.00011 Å |
| b | 7.1255 ± 0.00011 Å |
| c | 66.2902 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2914.81 ± 0.09 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 166 |
| Hermann-Mauguin space group symbol | R -3 m :H |
| Hall space group symbol | -R 3 2" |
| Residual factor for all reflections | 0.0851 |
| Residual factor for significantly intense reflections | 0.082 |
| Weighted residual factors for significantly intense reflections | 0.1829 |
| Weighted residual factors for all reflections included in the refinement | 0.1842 |
| Goodness-of-fit parameter for significantly intense reflections | 3.81 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.6 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.70848 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212437 (current) | 2018-12-07 | cif/ hkl/ Adding structures of 2108349 via cif-deposit CGI script. |
2108349.cif 2108349.hkl |
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Users of the data should acknowledge the original authors of the
structural data.