Information card for entry 4330274

Structure parameters

• Formula: Li6 Mo6 O33 Se6
• Calculated formula: Li6 Mo6 O33 Se6
• Title of publication: Synthesis, Structure, and Characterization of New Li± d0-Lone-Pair - Oxides: Noncentrosymmetric Polar Li6(Mo2O5)3(SeO3)6and Centrosymmetric Li2(MO3)(TeO3) (M = Mo6+or W6+)
• Authors of publication: Sau Doan Nguyen; P. Shiv Halasyamani
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9529 - 9538
• a: 8.2687 ± 0.0004 Å
• b: 16.6546 ± 0.0007 Å
• c: 19.2321 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2648.5 ± 0.2 ų
• Cell temperature: 298 ± 0.2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No