Information card for entry 4000361

Structure parameters

• Formula: H2 K0.5 O7.5 P1.5 V Zn0.5
• Calculated formula: K0.5 O7.5 P1.5 V Zn0.5
• Title of publication: Crystal structures and magnetic properties of the new alkaline zinc oxovanadium phosphates MZn(H2O)(VO)2(PO4)2(H2PO4) with M = K+, Rb+ and Cs+.
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 7.4459 ± 0.0001 Å
• b: 9.216 ± 0.0001 Å
• c: 9.3199 ± 0.0002 Å
• α: 90°
• β: 104.281 ± 0.001°
• γ: 90°
• Cell volume: 619.78 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 2.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No