Information card for entry 4305045

Structure parameters

• Formula: O4 Pr4 Se3
• Calculated formula: O4 Pr4 Se3
• Title of publication: Rare-Earth Metal(III) Oxide Selenides M4O4Se[Se2] (M = La, Ce, Pr, Nd, Sm) with Discrete Diselenide Units: Crystal Structures, Magnetic Frustration, and Other Properties
• Authors of publication: Sabine Strobel; Amitava Choudhury; Peter K. Dorhout; Christian Lipp; Thomas Schleid
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4936 - 4944
• a: 8.4992 ± 0.0006 Å
• b: 4.0278 ± 0.0003 Å
• c: 12.9257 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 442.49 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 38
• Hermann-Mauguin space group symbol: A m m 2
• Hall space group symbol: A 2 -2
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No