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Information card for entry 2021787
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| Coordinates | 2021787.cif |
|---|---|
| Structure factors | 2021787.hkl |
| Original IUCr paper | HTML |
| Chemical name | Barium yttrium fluoridozirconate |
|---|---|
| Formula | Ba4 F23 Y Zr3 |
| Calculated formula | Ba4 F23 Y Zr3 |
| Title of publication | Ba~4~YZr~3~F~23~ and Ba~4~LnZr~3~F~23~: a new noncentrosymmetric potential host structure type for optical devices |
| Authors of publication | Laval, Jean-Paul; Taoudi, Abdelkrim |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 11 |
| a | 19.564 ± 0.008 Å |
| b | 5.397 ± 0.002 Å |
| c | 17.161 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1812 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n 21 a |
| Hall space group symbol | P -2ac -2n |
| Residual factor for all reflections | 0.0413 |
| Residual factor for significantly intense reflections | 0.0281 |
| Weighted residual factors for significantly intense reflections | 0.0384 |
| Weighted residual factors for all reflections included in the refinement | 0.041 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219110 (current) | 2019-10-05 | cif/ hkl/ Adding structures of 2021787 via cif-deposit CGI script. |
2021787.cif 2021787.hkl |
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