Information card for entry 7713149

Structure parameters

• Formula: B3 Na P2 S10
• Calculated formula: B3 Na P2 S10
• Title of publication: From BPS4 to AB3P2S10 (A = Na, K): Cations Inducing Dimension Reduction and Bandgap Enlargement
• Authors of publication: Huang, Yi; Chu, Dongdong; Yun, Yihan; Xie, Wenlong; Li, Guangmao; Zhang, Yong
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 13.126 ± 0.003 Å
• b: 13.126 ± 0.003 Å
• c: 15.379 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2649.7 ± 1.2 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No