Information card for entry 7042302

Structure parameters

• Formula: B14 Ba7 F5 Mg2 Na O28
• Calculated formula: B14 Ba7 F5 Mg2 Na O28
• Title of publication: The structural diversity of halogen-centered secondary building units: two new mixed-metal borate halides with deep-ultraviolet cut-off edges.
• Authors of publication: Mutailipu, Miriding; Zhang, Min; Chen, Yanna; Lu, Xiaoquan; Pan, Shilie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 4923 - 4928
• a: 16.6113 ± 0.0014 Å
• b: 13.6678 ± 0.0015 Å
• c: 15.1514 ± 0.0014 Å
• α: 90°
• β: 121.188 ± 0.005°
• γ: 90°
• Cell volume: 2942.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No