Information card for entry 4503968

Structure parameters

• Formula: Li6 Mo12 O39
• Calculated formula: Li6 Mo12 O39
• Title of publication: Polymorphism in Li2Mo4O13Revisited
• Authors of publication: Smit, Jared P.; Stair, Peter C.; Poeppelmeier, Kenneth R.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 3
• Pages of publication: 521
• a: 8.2178 ± 0.0005 Å
• b: 21.2814 ± 0.0013 Å
• c: 8.595 ± 0.0005 Å
• α: 90°
• β: 96.088 ± 0.001°
• γ: 90°
• Cell volume: 1494.67 ± 0.16 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No