Information card for entry 4302703

Structure parameters

• Chemical name: Potassium barium borodiphosphate
• Formula: B Ba K O8 P2
• Calculated formula: B Ba K O8 P2
• Title of publication: KMBP2O8 (M = Sr, Ba): A New Kind of Noncentrosymmetry Borophosphate with the Three-Dimensional Diamond-like Framework
• Authors of publication: Dan Zhao; Wen-Dan Cheng; Hao Zhang; Shu-Ping Huang; Zhi Xie; Wei-Long Zhang; Song-Lin Yang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6623 - 6629
• a: 7.202 ± 0.002 Å
• b: 7.202 ± 0.002 Å
• c: 14.3 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 741.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.014
• Residual factor for significantly intense reflections: 0.0132
• Weighted residual factors for significantly intense reflections: 0.0311
• Weighted residual factors for all reflections included in the refinement: 0.0314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No