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Information card for entry 2108449
Preview
| Coordinates | 2108449.cif |
|---|---|
| Structure factors | 2108449.hkl |
| Original IUCr paper | HTML |
| Formula | B9 Ba6 Lu5 O27 |
|---|---|
| Calculated formula | B9 Ba6 Lu5 O27 |
| Title of publication | The novel borate Lu~5~Ba~6~B~9~O~27~ with a new structure type: synthesis, disordered crystal structure and negative linear thermal expansion |
| Authors of publication | Filatov, Stanislav K.; Biryukov, Yaroslav P.; Bubnova, Rimma S.; Shablinskii, Andrey P. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 4 |
| a | 13.0927 ± 0.0003 Å |
| b | 9.997 ± 0.0002 Å |
| c | 20.4884 ± 0.0004 Å |
| α | 90° |
| β | 106.827 ± 0.001° |
| γ | 90° |
| Cell volume | 2566.86 ± 0.09 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0502 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.0271 |
| Weighted residual factors for all reflections included in the refinement | 0.0301 |
| Goodness-of-fit parameter for significantly intense reflections | 1.26 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.18 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217187 (current) | 2019-07-20 | cif/ hkl/ Adding structures of 2108449 via cif-deposit CGI script. |
2108449.cif 2108449.hkl |
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