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Information card for entry 7130259
Preview
| Coordinates | 7130259.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Neodymium Orthothioborate |
|---|---|
| Formula | B Nd S3 |
| Calculated formula | B Nd S3 |
| Title of publication | Lanthanide Thioborates, an Emerging Class of Nonlinear Optical Materials, Efficiently Synthesized Using the Boron-Chalcogen Mixture Method |
| Authors of publication | Breton, Logan S.; Morrison, Gregory; Lacroix, Matthew; Halasyamani, P. Shiv; Zur Loye, Hans-Conrad |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 7.4818 ± 0.0002 Å |
| b | 6.0037 ± 0.0001 Å |
| c | 8.853 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 397.663 ± 0.015 Å3 |
| Cell temperature | 300.33 K |
| Ambient diffraction temperature | 300.33 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0081 |
| Residual factor for significantly intense reflections | 0.008 |
| Weighted residual factors for significantly intense reflections | 0.0178 |
| Weighted residual factors for all reflections included in the refinement | 0.0178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276134 (current) | 2022-06-22 | cif/ Adding structures of 7130256, 7130257, 7130258, 7130259 via cif-deposit CGI script. |
7130259.cif |
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