Information card for entry 4002652

Structure parameters

• Formula: Ge Li2 Pb S4
• Calculated formula: Ge Li2 Pb S4
• Title of publication: Li~2~PbGeS~4~ and Li~2~EuGeS~4~: polar chalcopyrites with a severe tetragonal compression
• Authors of publication: Aitken, Jennifer A.; Larson, Paul; Mahanti, S. D.; Kanatzidis, Mercouri G.
• Journal of publication: Chemistry of Materials
• Year of publication: 2001
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 4714 - 4721
• a: 6.5224 ± 0.0005 Å
• b: 6.5224 ± 0.0005 Å
• c: 7.7603 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 330.14 ± 0.05 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: 0.0253
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No