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Information card for entry 7709473
Preview
| Coordinates | 7709473.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba2 P2 S6 |
|---|---|
| Calculated formula | Ba2 P2 S6 |
| Title of publication | A2P2S6 (A=Ba, Pb): A Good Platform to Study Polymorph Effect and Lone Pairs Effect to Form Acentric Structure |
| Authors of publication | Ji, Bingheng; Sarkar, Arka; Wu, Kui; Swindle, Andrew; Wang, Jian |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 6.7411 ± 0.0002 Å |
| b | 7.5818 ± 0.0002 Å |
| c | 9.987 ± 0.0003 Å |
| α | 90° |
| β | 91.2005 ± 0.0012° |
| γ | 90° |
| Cell volume | 510.32 ± 0.03 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0212 |
| Residual factor for significantly intense reflections | 0.0162 |
| Weighted residual factors for significantly intense reflections | 0.0405 |
| Weighted residual factors for all reflections included in the refinement | 0.0906 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.411 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272940 (current) | 2022-02-12 | cif/ Adding structures of 7709473 via cif-deposit CGI script. |
7709473.cif |
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