Information card for entry 2008055

Structure parameters

• Formula: B2 Ca2 O5
• Calculated formula: B2 Ca2 O5
• SMILES: [Ca+2].[Ca+2].[O-]B([O-])OB([O-])[O-]
• Title of publication: Calcium pyroborate, Ca~2~B~2~O~5~
• Authors of publication: Lin, Qi-Sheng; Cheng, Wen-Dan; Chen, Jiu-Tong; Huang, Jin-Shun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Pages of publication: 04 - 06
• a: 7.212 ± 0.002 Å
• b: 5.177 ± 0.001 Å
• c: 11.498 ± 0.003 Å
• α: 90 ± 0.02°
• β: 93.11 ± 0.02°
• γ: 90 ± 0.03°
• Cell volume: 428.6 ± 0.4 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.071
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No