Information card for entry 1561409

Structure parameters

• Common name: barium gallium germanium selenide (4/4/1/12)
• Chemical name: barium gallium germanium selenide (4/4/1/12)
• Formula: Ba4 Ga4 Ge Se12
• Calculated formula: Ba4 Ga4 Ge Se12
• Title of publication: Noncentrosymmetric selenide Ba4Ga4GeSe12: Synthesis, structure, and optical properties
• Authors of publication: Yin, Wenlong; Iyer, Abishek K.; Li, Chao; Lin, Xinsong; Yao, Jiyong; Mar, Arthur
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2016
• Journal volume: 241
• Pages of publication: 131 - 136
• a: 13.5468 ± 0.0004 Å
• b: 13.5468 ± 0.0004 Å
• c: 6.4915 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1191.29 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No