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Information card for entry 1561885
Preview
| Coordinates | 1561885.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ca3 K2 O10 Si3 |
|---|---|
| Calculated formula | Ca3 K2 O10 Si3 |
| Title of publication | On the ambient pressure polymorph of K2Ca3Si3O10—An unusual mixed-anion silicate and its structural and spectroscopic characterization |
| Authors of publication | Schmidmair, Daniela; Kahlenberg, Volker; Perfler, Lukas; Tribus, Martina; Hildebrandt, Johannes; Többens, Daniel M. |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2015 |
| Journal volume | 228 |
| Pages of publication | 90 - 98 |
| a | 5.6699 ± 0.0006 Å |
| b | 7.3754 ± 0.0012 Å |
| c | 11.831 ± 0.0013 Å |
| α | 86.199 ± 0.011° |
| β | 80.625 ± 0.009° |
| γ | 88.7 ± 0.011° |
| Cell volume | 487.03 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0351 |
| Residual factor for significantly intense reflections | 0.0261 |
| Weighted residual factors for significantly intense reflections | 0.0588 |
| Weighted residual factors for all reflections included in the refinement | 0.0622 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264291 (current) | 2021-04-19 | cif/ Adding structures of 1561885 via cif-deposit CGI script. |
1561885.cif |
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