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Information card for entry 3500171
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| Coordinates | 3500171.cif |
|---|---|
| Structure factors | 3500171.hkl |
| Formula | Ba8 Cu10 F41 In3 O2 |
|---|---|
| Calculated formula | Ba8 Cu10 F41 In3 O2 |
| Authors of publication | Armel Le Bail |
| Journal of publication | Personal communication to COD |
| Year of publication | 2026 |
| a | 12.6015 ± 0.001 Å |
| b | 12.6015 ± 0.001 Å |
| c | 11.424 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1814.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 87 |
| Hermann-Mauguin space group symbol | I 4/m |
| Hall space group symbol | -I 4 |
| Residual factor for all reflections | 0.1352 |
| Residual factor for significantly intense reflections | 0.1186 |
| Weighted residual factors for significantly intense reflections | 0.274 |
| Weighted residual factors for all reflections included in the refinement | 0.2812 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.731 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306724 (current) | 2026-08-19 | cif/ hkl/ Adding structures of 3500171 via cif-deposit CGI script. |
3500171.cif 3500171.hkl |
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Users of the data should acknowledge the original authors of the
structural data.