Information card for entry 7133084

Structure parameters

• Common name: Cs Al B O Cl
• Chemical name: CsAlB3O6Cl
• Formula: Al B3 Cl Cs O6
• Calculated formula: Al B3 Cl Cs1.0001 O6
• Title of publication: CsAlB₃O₆Cl: the rational construction of a KBBF-type structure with aligned ²_∞[AlB₃O₆Cl] layers <i>via</i> introducing unprecedented [AlO₃Cl] tetrahedra.
• Authors of publication: Liu, Haoran; Jiao, Jiahao; Tudi, Abudukadi; Liu, Qingyu; Yang, Zhihua; Pan, Shilie; Zhang, Min
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 51
• Pages of publication: 6516 - 6519
• a: 7.0716 ± 0.0004 Å
• b: 7.0716 ± 0.0004 Å
• c: 18.0458 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 781.52 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.252
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No