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Information card for entry 2240437
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| Coordinates | 2240437.cif |
|---|---|
| Structure factors | 2240437.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Niobium vanadium phosphorus decasulfide |
|---|---|
| Formula | Nb1.18 P S10 V0.82 |
| Calculated formula | Nb1.1745 P S10 V0.8255 |
| Title of publication | Crystal structure of the mixed-metal thiophosphate Nb~1.18~V~0.82~PS~10~ |
| Authors of publication | Sun, Joobin; Heo, Jiyun; Yun, Hoseop |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | 278 - 280 |
| a | 12.8472 ± 0.0004 Å |
| b | 13.6212 ± 0.0004 Å |
| c | 7.1972 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1259.47 ± 0.08 Å3 |
| Cell temperature | 290 ± 1 K |
| Ambient diffraction temperature | 290 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0725 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.0864 |
| Weighted residual factors for all reflections included in the refinement | 0.1034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.127 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240437.cif 2240437.hkl |
| 181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240437.cif 2240437.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240437.cif 2240437.hkl |
| 132037 | 2015-02-19 | cif/ hkl/ Adding structures of 2240437 via cif-deposit CGI script. |
2240437.cif 2240437.hkl |
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Users of the data should acknowledge the original authors of the
structural data.