Information card for entry 4114650

Structure parameters

• Formula: Cs I Mo O6
• Calculated formula: Cs I 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: 7.8633 ± 0.0005 Å
• b: 10.392 ± 0.0006 Å
• c: 7.3869 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 603.62 ± 0.07 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: 0.0214
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for all reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.0515
• Goodness-of-fit parameter for all reflections: 1.117
• Goodness-of-fit parameter for significantly intense reflections: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No