Information card for entry 1560410

Structure parameters

• Formula: Ba2 Cl5 Cs
• Calculated formula: Ba2 Cl5 Cs
• Title of publication: Syntheses, crystal structures, and optical properties of CsBa5Ti2Se9Cl and CsBa2Cl5
• Authors of publication: Mesbah, Adel; Prakash, Jai; Malliakas, Christos D.; Lebègue, Sébastien; Badawi, Michael; Ibers, James A.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 253
• Pages of publication: 258 - 262
• a: 9.5203 ± 0.0003 Å
• b: 8.2098 ± 0.0002 Å
• c: 13.164 ± 0.0004 Å
• α: 90°
• β: 90.192 ± 0.002°
• γ: 90°
• Cell volume: 1028.89 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0424
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.0433
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No