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CIF Information Card
Information card for 7015593
7015592 << 7015593 >> 7015594Preview
|
Coordinates |
7015593.cif |
Structure parameters
| Formula | - Al4 Ba Se7 - |
| Calculated formula | - Al4 Ba Se7 - |
| Title of publication | BaAl4Se7: a new infrared nonlinear optical material with a large band gap. |
| Authors of publication | Mei, Dajiang; Yin, Wenlong; Bai, Lei; Lin, Zheshuai; Yao, Jiyong; Fu, Peizhen; Wu, Yicheng |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 14 |
| Pages of publication | 3610 - 3615 |
| a | 7.5563 ± 0.0015 Å |
| b | 6.4524 ± 0.0013 Å |
| c | 14.574 ± 0.004 Å |
| α | 90° |
| β | 121.23 ± 0.02° |
| γ | 90° |
| Cell volume | 607.6 ± 0.3 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P 1 c 1 |
| Hall symmetry space group | P -2yc |
| Residual factor for all reflections | 0.0524 |
| Residual factor for observed reflections | 0.0464 |
| Weighted residual factors for the observed reflections | 0.0888 |
| Weighted residual factors for all reflections included in the refinement | 0.0908 |
| Goodness-of-fit parameter for observed reflections | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |