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Information card for entry 7712351
Preview
| Coordinates | 7712351.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | B15 Ca O30 Rb7 Sc2 |
|---|---|
| Calculated formula | B15 Ca O30 Rb7 Sc2 |
| Title of publication | Two non-centrosymmetric mixed alkali metal and alkaline earth metal scandium borate nonlinear optical materials with short ultraviolet cutoff edges |
| Authors of publication | Liu, Wenhao; Lee, Ming-Hsien; Guo, Ruixin; Yao, Jiyong |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 13.3114 ± 0.001 Å |
| b | 13.3114 ± 0.001 Å |
| c | 14.5992 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2240.3 ± 0.3 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 155 |
| Hermann-Mauguin space group symbol | R 3 2 :H |
| Hall space group symbol | R 3 2" |
| Residual factor for all reflections | 0.1145 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.0844 |
| Weighted residual factors for all reflections included in the refinement | 0.0974 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281082 (current) | 2023-02-22 | cif/ Adding structures of 7712350, 7712351 via cif-deposit CGI script. |
7712351.cif |
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