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Information card for entry 1561119
Preview
| Coordinates | 1561119.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Li O9 P3 Zn |
|---|---|
| Calculated formula | Li O9 P3 Zn |
| Title of publication | Crystal structures and theoretical studies of polyphosphate LiZnP3O9 for nonlinear optical applications |
| Authors of publication | Xie, Zhiqing; Su, Xin; Ding, Hanqin; Li, Hongyi |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2018 |
| Journal volume | 262 |
| Pages of publication | 313 - 319 |
| a | 8.33 ± 0.003 Å |
| b | 8.52 ± 0.003 Å |
| c | 8.635 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 612.8 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0276 |
| Residual factor for significantly intense reflections | 0.0262 |
| Weighted residual factors for significantly intense reflections | 0.065 |
| Weighted residual factors for all reflections included in the refinement | 0.0658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263119 (current) | 2021-03-18 | cif/ Adding structures of 1561119 via cif-deposit CGI script. |
1561119.cif |
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