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Information card for entry 2239016
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| Coordinates | 2239016.cif |
|---|---|
| Structure factors | 2239016.hkl |
| Original paper (by DOI) | HTML |
| Common name | Potassium niobium tris(disulfide) tantalum thiophosphate |
|---|---|
| Chemical name | <i>catena</i>-Poly[potassium [tri-μ-disulfido-μ-tetrathiophosphato-di[niobate(IV)/tantalate(IV)(0.885/0.115)]]] |
| Formula | K Nb1.77 P S10 Ta0.23 |
| Calculated formula | K Nb1.7718 P S10 Ta0.2282 |
| Title of publication | The mixed-metal tris(disulfide) thiophosphate, KNb~1.77~Ta~0.23~PS~10~ |
| Authors of publication | Lee, Yoonjeong; Yoon, Woojin; Yun, Hoseop |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | i8 |
| a | 13.0049 ± 0.0003 Å |
| b | 7.5262 ± 0.0002 Å |
| c | 13.3616 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1307.8 ± 0.05 Å3 |
| Cell temperature | 290 ± 1 K |
| Ambient diffraction temperature | 290 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.021 |
| Residual factor for significantly intense reflections | 0.0193 |
| Weighted residual factors for all reflections included in the refinement | 0.0403 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181890 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90. |
2239016.cif 2239016.hkl |
| 181309 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/90. |
2239016.cif 2239016.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239016.cif 2239016.hkl |
| 104848 | 2014-03-11 | cif/ hkl/ Adding structures of 2239016 via cif-deposit CGI script. |
2239016.cif 2239016.hkl |
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