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Information card for entry 7251354
Preview
| Coordinates | 7251354.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ca3 Ge3 O9 |
|---|---|
| Calculated formula | Ca3 Ge3 O9 |
| Title of publication | Single-Crystal Ca₃Ge₃O₉ Calcium Germanate: Structure, Thermal and Optical Properties from Experiment and First-Principles |
| Authors of publication | Zhang, Hengyuan; Wu, Jipeng; Ma, Yidong; Chen, Feifei; Zhao, Xian |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 7.2858 ± 0.0002 Å |
| b | 7.5501 ± 0.0001 Å |
| c | 8.1252 ± 0.0002 Å |
| α | 103.497 ± 0.002° |
| β | 94.404 ± 0.002° |
| γ | 90.088 ± 0.002° |
| Cell volume | 433.241 ± 0.017 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.032 |
| Residual factor for significantly intense reflections | 0.0295 |
| Weighted residual factors for significantly intense reflections | 0.0747 |
| Weighted residual factors for all reflections included in the refinement | 0.076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303482 (current) | 2025-11-29 | cif/ Adding structures of 7251354 via cif-deposit CGI script. |
7251354.cif |
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Users of the data should acknowledge the original authors of the
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