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Information card for entry 4003456
Preview
| Coordinates | 4003456.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ge4 K4 Li2 O13 Ti |
|---|---|
| Calculated formula | Ge4 K4 Li2 O13 Ti |
| Title of publication | Li2K4TiOGe4O12: A Stable Mid-Infrared Nonlinear Optical Material |
| Authors of publication | Xu, Jingjing; Wu, Hongping; Yu, Hongwei; Zhang, Weiguo; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Halasyamani, P. Shiv |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2020 |
| a | 11.5984 ± 0.0002 Å |
| b | 11.5984 ± 0.0002 Å |
| c | 5.18 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 696.83 ± 0.03 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 104 |
| Hermann-Mauguin space group symbol | P 4 n c |
| Hall space group symbol | P 4 -2n |
| Residual factor for all reflections | 0.0196 |
| Residual factor for significantly intense reflections | 0.0175 |
| Weighted residual factors for significantly intense reflections | 0.0296 |
| Weighted residual factors for all reflections included in the refinement | 0.03 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246777 (current) | 2020-01-14 | cif/ Adding structures of 4003456 via cif-deposit CGI script. |
4003456.cif |
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