Information card for entry 7132370

Structure parameters

• Formula: B2 Cl Rb S6 Sr3
• Calculated formula: B2 Cl Rb S6 Sr3
• Title of publication: [RbSr₃X][(BS₃)₂] (X = Cl, Br): two salt-inclusion thioborates with large birefringence and structure transformation from centrosymmetric to asymmetric.
• Authors of publication: Yun, Yihan; Hou, Xueling; Yang, Zhihua; Li, Guangmao; Pan, Shilie
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 60
• Journal issue: 1
• Pages of publication: 118 - 121
• a: 11.082 ± 0.0004 Å
• b: 7.9064 ± 0.0003 Å
• c: 29.1239 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2551.8 ± 0.18 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No