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Information card for entry 2023393
Preview
| Coordinates | 2023393.cif |
|---|---|
| Structure factors | 2023393.hkl |
| Original paper (by DOI) | HTML |
| Formula | Ca3 O Si |
|---|---|
| Calculated formula | Ca3 O Si |
| Title of publication | Tilting structures ininverseperovskites,M3TtO (M= Ca, Sr, Ba, Eu;Tt= Si, Ge, Sn, Pb) |
| Authors of publication | Nuss, Jürgen; Mühle, Claus; Hayama, Kyouhei; Abdolazimi, Vahideh; Takagi, Hidenori |
| Journal of publication | Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | 300 - 312 |
| a | 4.741 ± 0.006 Å |
| b | 4.741 ± 0.006 Å |
| c | 4.741 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 106.6 ± 0.2 Å3 |
| Cell temperature | 500 ± 2 K |
| Ambient diffraction temperature | 500 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 221 |
| Hermann-Mauguin space group symbol | P m -3 m |
| Hall space group symbol | -P 4 2 3 |
| Residual factor for all reflections | 0.0287 |
| Residual factor for significantly intense reflections | 0.0199 |
| Weighted residual factors for significantly intense reflections | 0.0382 |
| Weighted residual factors for all reflections included in the refinement | 0.0408 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297657 (current) | 2025-02-09 | cif/ hkl/ Updating files of 2023393 Original log message: Adding Fobs data. |
2023393.cif 2023393.hkl |
| 297647 | 2025-02-09 | cif/ hkl/ Adding structures of 2023383, 2023384, 2023385, 2023386, 2023387, 2023388, 2023389, 2023390, 2023391, 2023392, 2023393, 2023394, 2023395, 2023396, 2023397, 2023398, 2023399 via cif-deposit CGI script. |
2023393.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.