Information card for entry 1517987

Structure parameters

• Formula: D4 O7 P V
• Calculated formula: D4 O7 P V
• Title of publication: Intercalation of water molecules in a layer structure VOPO4. Crystal structure of VOPO4.2D2O
• Authors of publication: Tachez, Michel; Theobald, Francois; Bernard, Jean; Hewat, Alan W.
• Journal of publication: Revue de Chimie Minerale
• Year of publication: 1982
• Journal volume: 19
• Pages of publication: 291 - 300
• a: 6.2154 ± 0.0002 Å
• b: 6.2154 ± 0.0002 Å
• c: 7.4029 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 285.98 ± 0.03 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :1
• Hall space group symbol: P 4ab -1ab
• Residual factor R(I) for significantly intense reflections: 18.6
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.909 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No