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Information card for entry 7234458
Preview
| Coordinates | 7234458.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ag As8 Ba4 Ga5 |
|---|---|
| Calculated formula | Ag As8 Ba4 Ga5 |
| Title of publication | Ba4AgGa5Pn8 (Pn = P, As): new pnictide-based compounds with nonlinear optical potential |
| Authors of publication | Ming-yan Pan; Zu-ju Ma; Xiao-cun Liu; Sheng-qing Xia; Xu-tang Tao; Ke-chen Wu |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 9695 - 9700 |
| a | 7.4769 ± 0.0008 Å |
| b | 18.5766 ± 0.0019 Å |
| c | 6.759 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 938.79 ± 0.17 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 45 |
| Hermann-Mauguin space group symbol | I b a 2 |
| Hall space group symbol | I 2 -2c |
| Residual factor for all reflections | 0.0213 |
| Residual factor for significantly intense reflections | 0.0207 |
| Weighted residual factors for significantly intense reflections | 0.0496 |
| Weighted residual factors for all reflections included in the refinement | 0.0499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.172 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219156 (current) | 2019-10-08 | cif/ Adding structures of 7234458, 7234459 via cif-deposit CGI script. |
7234458.cif |
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