Information card for entry 4030894

Structure parameters

• Formula: Li Mo2 O8 Tl3
• Calculated formula: Li Mo2 O8 Tl3
• SMILES: [Li+].[O-][Mo](=O)(=O)[O-].[O-][Mo]([O-])(=O)=O.[Tl+].[Tl+].[Tl+]
• Title of publication: Structure determination of Tl3Li(MoO4)2. Stereochemical activity of Tl(I) lone pair
• Authors of publication: Colbeau-Justin, C.; Wallez, G.; Xuriguera, A.-M.; Elfakir, A.; Jaulmes, S.; Quarton, M.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 34
• Pages of publication: 1097 - 1106
• a: 6.0037 ± 0.0001 Å
• b: 6.0037 ± 0.0001 Å
• c: 15.8194 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 493.809 ± 0.019 ų
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor R(I) for significantly intense reflections: 0.0657
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.5938 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No