Information card for entry 7028427

Structure parameters

• Formula: B2 F Li0.8 Mg2.1 O5
• Calculated formula: B2 F Li0.793 Mg2.1035 O5
• Title of publication: Li0.8Mg2.1B2O5F: the first borate fluoride with magnesium-oxygen-fluorine octahedral chains.
• Authors of publication: Wang, Zheng; Zhang, Min; Pan, Shilie; Wang, Ying; Zhang, Hui; Chen, Zhaohui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 7
• Pages of publication: 2828 - 2834
• a: 3.0881 ± 0.0004 Å
• b: 13.602 ± 0.002 Å
• c: 9.6563 ± 0.0015 Å
• α: 90°
• β: 91.744 ± 0.009°
• γ: 90°
• Cell volume: 405.42 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0507
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No