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Information card for entry 4002196
Preview
| Coordinates | 4002196.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ga8.3 K8 Si37.3 |
|---|---|
| Calculated formula | Ga8.42 K8 Si37.58 |
| Title of publication | Synthesis, Structure, Thermoelectric Properties, and Band Gaps of Alkali Metal Containing Type I Clathrates: A8Ga8Si38(A = K, Rb, Cs) and K8Al8Si38 |
| Authors of publication | Sui, Fan; He, Hua; Bobev, Svilen; Zhao, Jing; Osterloh, Frank E.; Kauzlarich, Susan M. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2015 |
| Journal volume | 27 |
| Journal issue | 8 |
| Pages of publication | 2812 |
| a | 10.427 ± 0.0003 Å |
| b | 10.427 ± 0.0003 Å |
| c | 10.427 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1133.65 ± 0.06 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 223 |
| Hermann-Mauguin space group symbol | P m -3 n |
| Hall space group symbol | -P 4n 2 3 |
| Residual factor for all reflections | 0.0203 |
| Residual factor for significantly intense reflections | 0.0155 |
| Weighted residual factors for significantly intense reflections | 0.0371 |
| Weighted residual factors for all reflections included in the refinement | 0.0384 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4002196.cif |
| 138079 | 2015-06-05 | cif/ Updating files of 4002196, 4002197, 4002198 Original log message: Adding full bibliography for 4002196--4002198.cif. |
4002196.cif |
| 135197 | 2015-04-10 | cif/ Adding structures of 4002196 via cif-deposit CGI script. |
4002196.cif |
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Users of the data should acknowledge the original authors of the
structural data.