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Information card for entry 4004012
Preview
| Coordinates | 4004012.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba3 Ge3 O14 Te Zn2 |
|---|---|
| Calculated formula | Ba3 Ge2.9999 O14 Te Zn2.0001 |
| Title of publication | A3Te(Zn2Ge)Ge2O14 (A = Sr, Ba, and Pb): New Langasite Mid-infrared Nonlinear Optical Materials by Rational Chemical Substitution |
| Authors of publication | Chen, Kaichuang; Lin, Chensheng; Zhang, Shengzi; Peng, Guang; Chen, Yu; Zhao, Dan; Fan, Huixin; Yang, Shunda; Wen, Xin; Luo, Min; Lin, Zheshuai; Ye, Ning |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2021 |
| a | 8.616 ± 0.003 Å |
| b | 8.616 ± 0.003 Å |
| c | 5.198 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 334.2 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 150 |
| Hermann-Mauguin space group symbol | P 3 2 1 |
| Hall space group symbol | P 3 2" |
| Residual factor for all reflections | 0.0255 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for significantly intense reflections | 0.0748 |
| Weighted residual factors for all reflections included in the refinement | 0.0749 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.299 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267743 (current) | 2021-07-26 | cif/ Adding structures of 4004012 via cif-deposit CGI script. |
4004012.cif |
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