Information card for entry 4341198

Structure parameters

• Formula: As2 Li2 O8 Th
• Calculated formula: As2 Li2 O8 Th
• Title of publication: Morphotropy and Temperature-Driven Polymorphism in A2Th(AsO4)2 (A = Li, Na, K, Rb, Cs) Series.
• Authors of publication: Yu, Na; Klepov, Vladislav V.; Modolo, Giuseppe; Bosbach, Dirk; Suleimanov, Evgeny V.; Gesing, Thorsten M.; Robben, Lars; Alekseev, Evgeny V.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 20
• Pages of publication: 11231 - 11241
• a: 9.1841 ± 0.0003 Å
• b: 13.7468 ± 0.0004 Å
• c: 5.63541 ± 0.00017 Å
• α: 90°
• β: 106.503 ± 0.003°
• γ: 90°
• Cell volume: 682.17 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No