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Information card for entry 1560771
Preview
| Coordinates | 1560771.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Br Cu3.67 F H6 O6 Zn0.34 |
|---|---|
| Calculated formula | Br Cu3.6666 F H6 O6 Zn0.3333 |
| Title of publication | Synthesis-dependent properties of barlowite and Zn-substituted barlowite |
| Authors of publication | Smaha, Rebecca W.; He, Wei; Sheckelton, John P.; Wen, Jiajia; Lee, Young S. |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2018 |
| Journal volume | 268 |
| Pages of publication | 123 - 129 |
| a | 6.668 ± 0.0004 Å |
| b | 6.668 ± 0.0004 Å |
| c | 9.3036 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 358.24 ± 0.04 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 6 |
| Space group number | 194 |
| Hermann-Mauguin space group symbol | P 63/m m c |
| Hall space group symbol | -P 6c 2c |
| Residual factor for all reflections | 0.0349 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0771 |
| Weighted residual factors for all reflections included in the refinement | 0.0786 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
| Diffraction radiation wavelength | 0.41328 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262382 (current) | 2021-03-03 | cif/ Adding structures of 1560768, 1560769, 1560770, 1560771 via cif-deposit CGI script. |
1560771.cif |
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