Information card for entry 4345369

Structure parameters

• Common name: molydenum(IV) oxide - Hp
• Chemical name: molybdenum dioxide
• Formula: Mo O2
• Calculated formula: Mo O2
• Title of publication: HP-MoO2: A High-Pressure Polymorph of Molybdenum Dioxide.
• Authors of publication: Lüdtke, Tobias; Wiedemann, Dennis; Efthimiopoulos, Ilias; Becker, Nils; Seidel, Stefan; Janka, Oliver; Pöttgen, Rainer; Dronskowski, Richard; Koch-Müller, Monika; Lerch, Martin
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 2321 - 2327
• a: 9.6921 ± 0.0003 Å
• b: 8.4322 ± 0.0003 Å
• c: 4.7188 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 385.65 ± 0.02 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 2
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No