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Information card for entry 2108539
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| Coordinates | 2108539.cif |
|---|---|
| Structure factors | 2108539.hkl |
| Original paper (by DOI) | HTML |
| Formula | Al9.12 Ca5.98 Fe30.7 Mg5.34 O72 Si0.86 |
|---|---|
| Calculated formula | Al9.107 Ca5.986 Fe30.693 Mg5.332 O72 Si0.86 |
| Title of publication | Structural elucidation of triclinic and monoclinic SFCA-III ‒ killing two birds with one stone |
| Authors of publication | Kahlenberg, Volker; Krüger, Hannes; Goettgens, Valerie Sue |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 6 |
| a | 10.3279 ± 0.0002 Å |
| b | 10.434 ± 0.0002 Å |
| c | 14.3794 ± 0.0002 Å |
| α | 93.4888 ± 0.0012° |
| β | 107.321 ± 0.0014° |
| γ | 109.663 ± 0.0014° |
| Cell volume | 1370.49 ± 0.05 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 295 ± 3 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0441 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0543 |
| Weighted residual factors for all reflections included in the refinement | 0.0564 |
| Goodness-of-fit parameter for significantly intense reflections | 1.82 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.58 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.72931 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231194 (current) | 2019-11-22 | cif/ hkl/ Adding structures of 2108539, 2108540 via cif-deposit CGI script. |
2108539.cif 2108539.hkl |
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Users of the data should acknowledge the original authors of the
structural data.