Information card for entry 2102630

Structure parameters

• Common name: Barium copper cyclosilicate
• Chemical name: Barium copper cyclosilicate
• Formula: Ba Cu O6 Si2
• Calculated formula: Ba Cu O6 Si2
• Title of publication: Reinvestigation of the structure of BaCuSi~2~O~6~ – evidence for a phase transition at high temperature
• Authors of publication: Sparta, Karine M.; Roth, Georg
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: 491 - 495
• a: 7.1104 ± 0.0013 Å
• b: 7.1104 ± 0.0013 Å
• c: 11.175 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 565 ± 0.2 ų
• Cell temperature: 640 ± 2 K
• Ambient diffraction temperature: 640 ± 2 K
• Number of distinct elements: 4
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.0217
• Residual factor for significantly intense reflections: 0.0153
• Weighted residual factors for significantly intense reflections: 0.0249
• Weighted residual factors for all reflections included in the refinement: 0.0251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No