Information card for entry 7709390

Structure parameters

• Common name: beta-Cupperborosulfate
• Chemical name: beta-Copper(II) Borosulfate
• Formula: B2 Cu O16 S4
• Calculated formula: B2 Cu O16 S4
• Title of publication: Polymorphism and optical, magnetic and thermal properties of the either phyllo- or inosilicate-analogous borosulfate Cu[B₂(SO₄)₄].
• Authors of publication: Hämmer, Matthias; Pielnhofer, Florian; Janka, Oliver; Takahashi, Hirotaka; Gross, Peter; Pöttgen, Rainer; Höppe, Henning A
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 3104 - 3115
• a: 7.712 ± 0.003 Å
• b: 8.149 ± 0.003 Å
• c: 9.092 ± 0.003 Å
• α: 90°
• β: 111.22 ± 0.011°
• γ: 90°
• Cell volume: 532.6 ± 0.3 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No