Information card for entry 2108613

Structure parameters

• Formula: Mg0.026 Mo0.974 O5.94 Pr2
• Calculated formula: Mg0.026 Mo0.974 O5.94 Pr2
• Title of publication: Synthesis, structure and properties of layered Pr~2~MoO~6~-based oxymolybdates doped with Mg
• Authors of publication: Voronkova, Valentina I.; Antipin, Alexander M.; Sorokin, Timofei A.; Novikova, Nataliya E.; Kharitonova, Elena P.; Orlova, Ekaterina I.; Kvartalov, Vladimir B.; Presniakov, Mikhail Yu.; Bondarenko, Vladimir I.; Vasiliev, Alexander L.; Sorokina, Nataliya I.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 3
• a: 5.6979 ± 0.0001 Å
• b: 5.6979 ± 0.0001 Å
• c: 31.7012 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1029.21 ± 0.03 ų
• Cell temperature: 295 ± 0.1 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 120
• Hermann-Mauguin space group symbol: I -4 c 2
• Hall space group symbol: I -4 -2c
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0114
• Weighted residual factors for significantly intense reflections: 0.0136
• Weighted residual factors for all reflections included in the refinement: 0.016
• Goodness-of-fit parameter for significantly intense reflections: 1.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes