Information card for entry 1550651

Structure parameters

• Formula: Ge Li2 S4 Sr
• Calculated formula: Ge Li2 S4 Sr
• SMILES: [Sr+2].[Li+].[Li+].[S-][Ge]([S-])([S-])[S-]
• Title of publication: Concurrently wide bandgaps and good nonlinear optical responses in A2SrMIVS4 (A = Li, Na; MIV = Ge, Sn) as new potential infrared nonlinear optical materials
• Authors of publication: Wu, Kui; Chu, Yu; Yang, Zhihua; Pan, Shilie
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 6.542 ± 0.0015 Å
• b: 6.542 ± 0.0015 Å
• c: 7.751 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 331.73 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 121
• Hermann-Mauguin space group symbol: I -4 2 m
• Hall space group symbol: I -4 2
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.295
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No