Information card for entry 7035177

Structure parameters

• Formula: Ge Li2 Se4 Zn
• Calculated formula: Ge Li2 Se4 Zn
• Title of publication: Infrared nonlinear optical properties of lithium-containing diamond-like semiconductors Li2ZnGeSe4 and Li2ZnSnSe4.
• Authors of publication: Zhang, Jian-Han; Clark, Daniel J.; Brant, Jacilynn A.; Sinagra, Charles W.; Kim, Yong Soo; Jang, Joon I.; Aitken, Jennifer A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 24
• Pages of publication: 11212 - 11222
• a: 6.5515 ± 0.0001 Å
• b: 6.8589 ± 0.0001 Å
• c: 8.2427 ± 0.0001 Å
• α: 90°
• β: 90.063 ± 0.001°
• γ: 90°
• Cell volume: 370.394 ± 0.009 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No