Information card for entry 4337664

Structure parameters

• Formula: Mo3 O12 Rb2 Th
• Calculated formula: Mo3 O12 Rb2 Th
• Title of publication: High-temperature phase transitions, spectroscopic properties, and dimensionality reduction in rubidium thorium molybdate family.
• Authors of publication: Xiao, Bin; Gesing, Thorsten M.; Kegler, Philip; Modolo, Giuseppe; Bosbach, Dirk; Schlenz, Hartmut; Suleimanov, Evgeny V.; Alekseev, Evgeny V.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 3088 - 3098
• a: 18.1583 ± 0.0006 Å
• b: 12.5089 ± 0.0003 Å
• c: 5.3882 ± 0.0002 Å
• α: 90°
• β: 105.058 ± 0.003°
• γ: 90°
• Cell volume: 1181.85 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No