Information card for entry 4339694

Structure parameters

• Formula: Ag4 Ba2 Se5
• Calculated formula: Ag4 Ba2 Se5
• Title of publication: Structures and physical properties of new semiconducting polyselenides Ba2CudeltaAg4-deltaSe5 with unprecedented linear Se(3)4- units.
• Authors of publication: Assoud, Abdeljalil; Xu, Jianxiao; Kleinke, Holger
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 9906 - 9911
• a: 16.189 ± 0.002 Å
• b: 4.5528 ± 0.0006 Å
• c: 9.2497 ± 0.0013 Å
• α: 90°
• β: 124.572 ± 0.003°
• γ: 90°
• Cell volume: 561.36 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No