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Information card for entry 7234466
Preview
| Coordinates | 7234466.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba2 Sb2 Se5 |
|---|---|
| Calculated formula | Ba2 Sb2 Se5 |
| Title of publication | Synthesis, crystal structure, and thermoelectric properties of two new barium antimony selenides: Ba2Sb2Se5 and Ba6Sb7Se16.11 |
| Authors of publication | Jian Wang; Kathleen Lee; Kirill Kovnir |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 9811 - 9818 |
| a | 8.4034 ± 0.0015 Å |
| b | 27.567 ± 0.005 Å |
| c | 4.6422 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1075.4 ± 0.3 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 55 |
| Hermann-Mauguin space group symbol | P b a m |
| Hall space group symbol | -P 2 2ab |
| Residual factor for all reflections | 0.0423 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0607 |
| Weighted residual factors for all reflections included in the refinement | 0.0655 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219159 (current) | 2019-10-08 | cif/ Adding structures of 7234466, 7234467 via cif-deposit CGI script. |
7234466.cif |
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Users of the data should acknowledge the original authors of the
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