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Information card for entry 1565829
Preview
| Coordinates | 1565829.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | K2 Mg2 O12 S3 |
|---|---|
| Calculated formula | K2 Mg2 O12 S3 |
| Title of publication | Tracing electron density changes in langbeinite under pressure |
| Authors of publication | Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof |
| Journal of publication | IUCrJ |
| Year of publication | 2022 |
| Journal volume | 9 |
| Journal issue | 1 |
| Pages of publication | 146 - 162 |
| a | 9.91977 ± 0.00003 Å |
| b | 9.91977 ± 0.00003 Å |
| c | 9.91977 ± 0.00003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 976.124 ± 0.005 Å3 |
| Cell temperature | 297.2 ± 0.6 K |
| Ambient diffraction temperature | 297.2 ± 0.6 K |
| Number of distinct elements | 4 |
| Space group number | 198 |
| Hermann-Mauguin space group symbol | P 21 3 |
| Hall space group symbol | P 2ac 2ab 3 |
| Residual factor for all reflections | 0.02 |
| Residual factor for significantly intense reflections | 0.018 |
| Weighted residual factors for all reflections included in the refinement | 0.048 |
| RFsqd | 0.019 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.238 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272820 (current) | 2022-02-06 | cif/ Updating files of 1565826, 1565827, 1565828, 1565829, 1565830, 1565831 Original log message: Adding full bibliography for 1565826--1565831.cif. |
1565829.cif |
| 271603 | 2021-12-23 | cif/ Adding structures of 1565826, 1565827, 1565828, 1565829, 1565830, 1565831 via cif-deposit CGI script. |
1565829.cif |
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.
Users of the data should acknowledge the original authors of the
structural data.