Information card for entry 4114648

Structure parameters

• Formula: I K Mo O6
• Calculated formula: I K Mo O6
• Title of publication: Structural Modulation of Molybdenyl Iodate Architectures by Alkali Metal Cations in AMoO3(IO3) (A = K, Rb, Cs): A Facile Route to New Polar Materials with Large SHG Responses
• Authors of publication: Richard E. Sykora; Kang Min Ok; P. Shiv Halasyamani; Thomas E. Albrecht-Schmitt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 1951 - 1957
• a: 7.7991 ± 0.0003 Å
• b: 7.3372 ± 0.0003 Å
• c: 19.2695 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1102.67 ± 0.08 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for all reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.0521
• Goodness-of-fit parameter for all reflections: 1.166
• Goodness-of-fit parameter for significantly intense reflections: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No