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Information card for entry 2108838
Preview
| Coordinates | 2108838.cif |
|---|---|
| Structure factors | 2108838.hkl |
| Original paper (by DOI) | HTML |
| Common name | tremolite |
|---|---|
| Formula | Al0.68 Ca1.99 F0.33 H1.61 K0.2 Mg5.09 O23.67 Si7.32 |
| Calculated formula | Al0.68 Ca1.9878 F0.331 H1.609 K0.2008 Mg5.0876 O23.67 Si7.32 |
| Title of publication | Recommended X-ray single-crystal structure refinement and Rietveld refinement procedure for tremolite |
| Authors of publication | Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bosi, Ferdinando |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 4 |
| a | 9.8348 ± 0.0003 Å |
| b | 18.0035 ± 0.0006 Å |
| c | 5.2825 ± 0.0002 Å |
| α | 90° |
| β | 104.996 ± 0.0008° |
| γ | 90° |
| Cell volume | 903.47 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0147 |
| Residual factor for significantly intense reflections | 0.0132 |
| Weighted residual factors for significantly intense reflections | 0.0309 |
| Weighted residual factors for all reflections included in the refinement | 0.0314 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267586 (current) | 2021-07-16 | cif/ hkl/ Adding structures of 2108838, 2108839 via cif-deposit CGI script. |
2108838.cif 2108838.hkl |
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