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Information card for entry 7036957
Preview
Coordinates | 7036957.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | Ba2 Se4 Sn |
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Calculated formula | Ba2 Se4 Sn |
Title of publication | An investigation of new infrared nonlinear optical material: BaCdSnSe4, and three new related centrosymmetric compounds: Ba2SnSe4, Mg2GeSe4, and Ba2Ge2S6. |
Authors of publication | Wu, Kui; Su, Xin; Yang, Zhihua; Pan, Shilie |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 46 |
Pages of publication | 19856 - 19864 |
a | 8.5819 ± 0.0014 Å |
b | 9.2554 ± 0.0013 Å |
c | 12.46 ± 0.002 Å |
α | 90° |
β | 114.276 ± 0.011° |
γ | 90° |
Cell volume | 902.2 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0597 |
Residual factor for significantly intense reflections | 0.0366 |
Weighted residual factors for significantly intense reflections | 0.0759 |
Weighted residual factors for all reflections included in the refinement | 0.0833 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7036957.html
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