Information card for entry 1562610

Structure parameters

• Formula: B26 Ba11 H6 O58 P2
• Calculated formula: B26 Ba11 H6 O58 P2
• Title of publication: Hydrothermal synthesis and structural analysis of new mixed oxyanion borates: Ba11B26O44(PO4)2(OH)6, Li9BaB15O27(CO3) and Ba3Si2B6O16
• Authors of publication: Heyward, Carla; McMillen, Colin D.; Kolis, Joseph
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2013
• Journal volume: 203
• Pages of publication: 166 - 173
• a: 6.8909 ± 0.0014 Å
• b: 13.629 ± 0.003 Å
• c: 25.581 ± 0.005 Å
• α: 90°
• β: 90.04 ± 0.03°
• γ: 90°
• Cell volume: 2402.5 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No