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Information card for entry 4350016
Preview
| Coordinates | 4350016.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | B20 Cs12 O40 Zn4 |
|---|---|
| Calculated formula | B20 Cs12 O40 Zn4 |
| Title of publication | From centrosymmetric to noncentrosymmetric: cation-directed structural evolution in X3ZnB5O10 (X = Na, K, Rb) and Cs12Zn4(B5O10)4 crystals |
| Authors of publication | Baiheti, Tuohetijiang; Han, Shujuan; Tudi, AbuduKadi; Yang, Zhihua; Yu, H. H.; Pan, Shilie |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 6 |
| Pages of publication | 1461 |
| a | 18.739 ± 0.016 Å |
| b | 19.326 ± 0.016 Å |
| c | 14.495 ± 0.012 Å |
| α | 90° |
| β | 109.52 ± 0.01° |
| γ | 90° |
| Cell volume | 4948 ± 7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0796 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.0941 |
| Weighted residual factors for all reflections included in the refinement | 0.1068 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237944 (current) | 2019-11-24 | cif/ Adding structures of 4350016 via cif-deposit CGI script. |
4350016.cif |
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Users of the data should acknowledge the original authors of the
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