Information card for entry 1546881

Structure parameters

• Formula: Ag3 I3 Mo2 O12
• Calculated formula: Ag3 I3 Mo2 O12
• Title of publication: Ag ₃ I[(MoO ₃ ) ₂ (IO ₃ ) ₂ ]: a new polar material synthesized from the structural modulation of molybdenyl iodate architectures by polarizable cation (Ag ⁺ ) and anion (I ⁻ )
• Authors of publication: Meng, Chang-Yu; Zhang, Pei; Wang, Rong-Fang; Geng, Lei
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 36
• Pages of publication: 12320 - 12327
• a: 8.0072 ± 0.0002 Å
• b: 21.2678 ± 0.0006 Å
• c: 7.3241 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1247.26 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0186
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections included in the refinement: 0.0387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No