Information card for entry 1561739

Structure parameters

• Common name: Ba8PdU2Se16
• Formula: Ba8 Pd Se16 U2
• Calculated formula: Ba8 Pd Se16 U2
• SMILES: [U]1([Se][Pd]2([Se][U]([Se]2)([Se])([Se])([Se])[Se])[Se]1)([Se])([Se])([Se])[Se].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Se-][Se-].[Ba+2].[Ba+2].[Se-][Se-].[Ba+2]
• Title of publication: Synthesis, crystal structure, resistivity, and electronic structure of the U(V) quaternary polyselenide Ba8PdU2Se12(Se2)2
• Authors of publication: Prakash, Jai; Mesbah, Adel; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 230
• Pages of publication: 70 - 74
• a: 9.49 ± 0.0019 Å
• b: 12.24 ± 0.002 Å
• c: 13.78 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1600.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.33
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No