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Information card for entry 2018889
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| Coordinates | 2018889.cif |
|---|---|
| Structure factors | 2018889.hkl |
| Original IUCr paper | HTML |
| Chemical name | Potassium barium gallium tin |
|---|---|
| Formula | Ba15.1 Ga31 K0.9 Sn105 |
| Calculated formula | Ba15.216 Ga30.96 K0.784 Sn105.04 |
| Title of publication | K and Ba distribution in the structures of the clathrate compounds K~<i>x~</i>Ba~16{-~<i>x</i>}(Ga,Sn)~136~ (<i>x</i> = 0.8, 4.4, and 12.9) and K~<i>x~</i>Ba~8{-~<i>x</i>}(Ga,Sn)~46~ (<i>x</i> = 0.3) |
| Authors of publication | Schäfer, Marion C.; Bobev, Svilen |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 4 |
| Pages of publication | 319 - 323 |
| a | 17.0178 ± 0.0004 Å |
| b | 17.0178 ± 0.0004 Å |
| c | 17.0178 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4928.4 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 227 |
| Hermann-Mauguin space group symbol | F d -3 m :2 |
| Hall space group symbol | -F 4vw 2vw 3 |
| Residual factor for all reflections | 0.0285 |
| Residual factor for significantly intense reflections | 0.0254 |
| Weighted residual factors for significantly intense reflections | 0.0961 |
| Weighted residual factors for all reflections included in the refinement | 0.0973 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.349 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180857 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/88. |
2018889.cif 2018889.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2018889.cif 2018889.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2018889.cif 2018889.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2018889.cif 2018889.hkl |
| 85322 | 2013-05-07 | cif/ Adding structures of 2018889, 2018890, 2018891, 2018892 via cif-deposit CGI script. |
2018889.cif |
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Users of the data should acknowledge the original authors of the
structural data.