Information card for entry 7711689

Structure parameters

• Formula: Na P S4 Sr
• Calculated formula: Na P S4 Sr
• Title of publication: Wide band gap thiophosphates ASrPS₄ (A = Li, Na, K, Rb, Cs): cation size effect induced successive structural transformation.
• Authors of publication: Huang, Yi; Huang, Junben; Zhang, Yong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 39
• Pages of publication: 15067 - 15073
• a: 9.128 ± 0.002 Å
• b: 10.429 ± 0.003 Å
• c: 7.0685 ± 0.0016 Å
• α: 90°
• β: 101.051 ± 0.01°
• γ: 90°
• Cell volume: 660.4 ± 0.3 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No