Information card for entry 7036959

Structure parameters

• Formula: Ge Mg2 Se4
• Calculated formula: Ge Mg2 Se4
• SMILES: [Ge]([Se-])([Se-])([Se-])[Se-].[Mg+2].[Mg+2]
• 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: 13.5 ± 0.03 Å
• b: 7.851 ± 0.015 Å
• c: 6.366 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 675 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No