Information card for entry 4332367

Structure parameters

• Formula: Ge Na1.5 Se4.25 Sm
• Calculated formula: Ge Na1.5 Se4.25 Sm
• Title of publication: Destruction of Noncentrosymmetry through Chalcogenide Salt Inclusion
• Authors of publication: Choudhury, Amitava; Dorhout, Peter K.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5245 - 5247
• a: 22.508 ± 0.003 Å
• b: 11.0307 ± 0.0016 Å
• c: 6.8261 ± 0.001 Å
• α: 90°
• β: 103.038 ± 0.002°
• γ: 90°
• Cell volume: 1651.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No