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Information card for entry 7234515
Preview
| Coordinates | 7234515.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba Bi Cl O6 Se2 |
|---|---|
| Calculated formula | Ba Bi Cl O6 Se2 |
| Title of publication | BaBi(SeO3)2Cl: a new polar material showing high second-harmonic generation efficiency enhanced by constructive alignment of chloride ions |
| Authors of publication | Lei Geng; Qiang Li; Chang-Yu Meng; Kai Dai; Hong-Yan Lu; Chen-Sheng Lin; Wen-Dan Cheng |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 12290 - 12296 |
| a | 5.2804 ± 0.0002 Å |
| b | 20.0535 ± 0.0009 Å |
| c | 6.907 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 731.39 ± 0.05 Å3 |
| Cell temperature | 25 ± 2 K |
| Ambient diffraction temperature | 25 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 36 |
| Hermann-Mauguin space group symbol | C m c 21 |
| Hall space group symbol | C 2c -2 |
| Residual factor for all reflections | 0.0216 |
| Residual factor for significantly intense reflections | 0.0211 |
| Weighted residual factors for significantly intense reflections | 0.0658 |
| Weighted residual factors for all reflections included in the refinement | 0.0662 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219243 (current) | 2019-10-10 | cif/ Adding structures of 7234515 via cif-deposit CGI script. |
7234515.cif |
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