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Information card for entry 4003690
Preview
| Coordinates | 4003690.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba Bi O14 P4 Rb3 |
|---|---|
| Calculated formula | Ba Bi O14 P4 Rb3 |
| Title of publication | A3BBi(P2O7)2 (A = Rb, Cs; B = Pb, Ba): Isovalent Cation Substitution to Sustain Large Second-Harmonic Generation Responses |
| Authors of publication | Qi, Lu; Chen, Zhaohui; Shi, Xuerui; Zhang, Xiaodong; Jing, Qun; Li, Na; Jiang, Zhongqi; Zhang, Bingbing; Lee, Ming-Hsien |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2020 |
| a | 8.9377 ± 0.0003 Å |
| b | 9.8247 ± 0.0004 Å |
| c | 9.1683 ± 0.0003 Å |
| α | 90° |
| β | 106.746 ± 0.001° |
| γ | 90° |
| Cell volume | 770.93 ± 0.05 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0316 |
| Residual factor for significantly intense reflections | 0.0261 |
| Weighted residual factors for significantly intense reflections | 0.0535 |
| Weighted residual factors for all reflections included in the refinement | 0.0545 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256808 (current) | 2020-09-29 | cif/ Adding structures of 4003690 via cif-deposit CGI script. |
4003690.cif |
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