Information card for entry 1100926

Structure parameters

• Common name: Trituliumpentaborate
• Chemical name: Trituliumpentaborate
• Formula: B5 O12 Tm3
• Calculated formula: B5 O12 Tm3
• Title of publication: Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu)
• Authors of publication: Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert
• Journal of publication: Chemistry of Materials
• Year of publication: 2005
• Journal volume: 17
• Journal issue: 10
• Pages of publication: 2707 - 2715
• a: 12.82 ± 0.003 Å
• b: 4.6019 ± 0.0009 Å
• c: 12.477 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 736.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 53
• Hermann-Mauguin space group symbol: P m n a
• Hall space group symbol: -P 2ac 2
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 0.814
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4000576
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No