Information card for entry 7204374

Structure parameters

• Formula: Ba3 F H14 Nb3 O30 P5
• Calculated formula: Ba2.9844 F Nb3 O29.434 P5.002
• Title of publication: Hydrothermal synthesis and structures of the novel niobium phosphates Ba2[NbOF(PO4)2] and Ba3[Nb3O3F(PO4)4(HPO4)](H2O)7
• Authors of publication: Wang, Xiqu; Liu, Lumei; Jacobson, Allan J.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2002
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1824
• a: 9.4824 ± 0.0006 Å
• b: 15.0067 ± 0.0009 Å
• c: 18.4897 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2631.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 71
• Hermann-Mauguin space group symbol: I m m m
• Hall space group symbol: -I 2 2
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No