Information card for entry 7204373

Structure parameters

• Formula: Ba2 F Nb O9 P2
• Calculated formula: Ba2 F Nb O9 P2
• 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: 7.057 ± 0.0007 Å
• b: 7.1618 ± 0.0008 Å
• c: 9.0246 ± 0.0009 Å
• α: 90°
• β: 91.087 ± 0.002°
• γ: 90°
• Cell volume: 456.03 ± 0.08 ų
• Cell temperature: 496 ± 2 K
• Ambient diffraction temperature: 496 ± 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: 0.019
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No