Information card for entry 7130195

Structure parameters

• Formula: Fe Na6 O16 S4
• Calculated formula: Fe Na6 O16 S4
• Title of publication: Perovskite-derived structure modulation in the iron sulfate family
• Authors of publication: Lan, Yuanqi; Yan, Qi; Zhang, Xinyuan; Yao, Wenjiao; Wang, Chenchen; Lee, Chun-Sing; Lightfoot, Philip; Tang, Yongbing
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 9.684 ± 0.003 Å
• b: 9.259 ± 0.003 Å
• c: 8.244 ± 0.002 Å
• α: 90°
• β: 113.359 ± 0.008°
• γ: 90°
• Cell volume: 678.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0548
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No