Information card for entry 7214428

Structure parameters

• Formula: B3 Be4 K O9
• Calculated formula: B3 Be4 K O9
• SMILES: B([O-])([O-])[O-].[O-]B([O-])[O-].[Be+2].[K+].[Be+2].B([O-])([O-])[O-].[Be+2].[Be+2]
• Title of publication: A new alkaline beryllium borate KBe4B3O9 with ribbon alveolate [Be2BO5]∞layers and the structural evolution of ABe4B3O9(A = K, Rb and Cs)
• Authors of publication: Wang, Shichao; Ye, Ning; Zou, Guohong
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 19
• Pages of publication: 3971
• a: 6.065 ± 0.003 Å
• b: 4.463 ± 0.002 Å
• c: 11.55 ± 0.006 Å
• α: 90°
• β: 90.081 ± 0.006°
• γ: 90°
• Cell volume: 312.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.02
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No