Information card for entry 7128916

Structure parameters

• Formula: I Na7 O15 S3
• Calculated formula: I Na7 O15 S3
• Title of publication: Na₇(IO₃)(SO₄)₃: the first noncentrosymmetric alkaline-metal iodate-sulfate with isolated [IO₃] and [SO₄] units.
• Authors of publication: Ding, Mengmeng; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 75
• Pages of publication: 9598 - 9601
• a: 6.839 ± 0.003 Å
• b: 10.851 ± 0.005 Å
• c: 18.519 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1374.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No