Information card for entry 4114649

Structure parameters

• Formula: I Mo O6 Rb
• Calculated formula: I Mo O6 Rb
• 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: 7.7277 ± 0.0006 Å
• b: 10.2137 ± 0.0008 Å
• c: 7.3442 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 579.67 ± 0.08 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0207
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for all reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0413
• Goodness-of-fit parameter for all reflections: 0.946
• Goodness-of-fit parameter for significantly intense reflections: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No