Information card for entry 7035473
| Formula |
Al6.9 Ba8 Si39.1 |
| Calculated formula |
Al6.9 Ba8 Si39.1 |
| Title of publication |
Distribution of Al atoms in the clathrate-I phase Ba8AlxSi46-x at x = 6.9. |
| Authors of publication |
Bobnar, Matej; Böhme, Bodo; Wedel, Michael; Burkhardt, Ulrich; Ormeci, Alim; Prots, Yurii; Drathen, Christina; Liang, Ying; Nguyen, Hong Duong; Baitinger, Michael; Grin, Yuri |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2015 |
| Journal volume |
44 |
| Journal issue |
28 |
| Pages of publication |
12680 - 12687 |
| a |
10.4645 ± 0.0002 Å |
| b |
10.4645 ± 0.0002 Å |
| c |
10.4645 ± 0.0002 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
1145.92 ± 0.04 Å3 |
| Cell temperature |
295 K |
| Ambient diffraction temperature |
295 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 |
0.0384 |
| Residual factor for significantly intense reflections |
0.0379 |
| Weighted residual factors for all reflections |
0.0692 |
| Weighted residual factors for all reflections included in the refinement |
0.0677 |
| Goodness-of-fit parameter for all reflections included in the refinement |
3.05 |
| Diffraction radiation wavelength |
0.71075 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7035473.html
