Information card for entry 1575477

Structure parameters

• Formula: Ga2 In3 K S8
• Calculated formula: Ga2 In3 K S8
• Title of publication: From NaSc₃Ga₂Q₈ (Q = S, Se) to KGa₂In₃S₈: substitution of Sc³⁺ with In³⁺ to achieve doubled birefringence.
• Authors of publication: Xie, Yun; Yao, Wen-Dong; Du, Qiu-Yang; Zhou, Wenfeng; Suen, Nian-Tzu; Liu, Wenlong; Guo, Sheng-Ping
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 37
• Pages of publication: 17207 - 17213
• a: 7.7243 ± 0.0003 Å
• b: 7.7243 ± 0.0003 Å
• c: 6.2204 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 321.42 ± 0.03 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 164
• Hermann-Mauguin space group symbol: P -3 m 1
• Hall space group symbol: -P 3 2"
• Residual factor for all reflections: 0.0226
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No