Information card for entry 2023129

Structure parameters

• Chemical name: Lithium lutetium bis[orthomolybdate(VI)]
• Formula: Li Lu Mo2 O8
• Calculated formula: Li Lu Mo2 O8
• Title of publication: Mixed occupancy: the crystal structure of scheelite-type LiLu[MoO4]2
• Authors of publication: Hartenbach, Ingo; Hertweck, Robin F.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 6
• a: 5.1052 ± 0.0003 Å
• b: 5.1052 ± 0.0003 Å
• c: 11.08 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 288.78 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections included in the refinement: 0.0483
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56083 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No