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Information card for entry 4000670
Preview
| Coordinates | 4000670.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba3 Dy2 P4 S16 |
|---|---|
| Calculated formula | Ba3 Dy2 P4 S16 |
| Title of publication | Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er) |
| Authors of publication | Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder |
| Journal of publication | Chem. Mater. |
| Year of publication | 2006 |
| Journal volume | 18 |
| Pages of publication | 187 - 197 |
| a | 19.112 ± 0.0014 Å |
| b | 10.2646 ± 0.0008 Å |
| c | 12.602 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2472.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0374 |
| Residual factor for significantly intense reflections | 0.0275 |
| Weighted residual factors for significantly intense reflections | 0.0771 |
| Weighted residual factors for all reflections included in the refinement | 0.0985 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.217 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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