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Information card for entry 4000576
Preview
| Coordinates | 4000576.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Trituliumpentaborate |
|---|---|
| Chemical name | Trituliumpentaborate |
| Formula | B5 O12 Tm3 |
| Calculated formula | B5 O12 Tm3 |
| Title of publication | Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu) |
| Authors of publication | Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2005 |
| Journal volume | 17 |
| Journal issue | 10 |
| Pages of publication | 2707 - 2715 |
| a | 12.82 ± 0.003 Å |
| b | 4.6019 ± 0.0009 Å |
| c | 12.477 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 736.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 53 |
| Hermann-Mauguin space group symbol | P m n a |
| Hall space group symbol | -P 2ac 2 |
| Residual factor for all reflections | 0.0642 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0922 |
| Weighted residual factors for all reflections included in the refinement | 0.1001 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.814 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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