Information card for entry 4328763

Structure parameters

• Formula: B6 Ba3 H2 O13
• Calculated formula: B6 Ba3 H2 O13
• Title of publication: Hydrothermal Synthesis and Crystal Structure of Two New Hydrated Alkaline Earth Metal Borates Sr3B6O11(OH)2 and Ba3B6O11(OH)2
• Authors of publication: Carla Heyward; Colin McMillen; Joseph Kolis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3956 - 3962
• a: 6.958 ± 0.0014 Å
• b: 7.024 ± 0.0014 Å
• c: 11.346 ± 0.002 Å
• α: 90°
• β: 90.1 ± 0.03°
• γ: 90°
• Cell volume: 554.51 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No