Information card for entry 7249886

Structure parameters

• Formula: F0 La4.178 Mo3 Na0.822 O16.049
• Calculated formula: La4.174 Mo3 Na0.826 O16.045
• Title of publication: Structural features of sodium- and halogen-containing fluorite-like rare-earth molybdates.
• Authors of publication: Antipin, Alexander M.; Orlova, Ekaterina I.; Smirnova, Ekaterina S.; Trukhacheva, Maria P.; Sorokin, Timofei A.; Sidorova, Ekaterina V.; Kharitonova, Elena P.; Lyskov, Nikolay V.; Novikova, Natalia E.; Yapaskurt, Vasiliy O.; Sorokina, Natalia I.; Alekseeva, Olga A.; Voronkova, Valentina I.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2025
• a: 11.2426 ± 0.0001 Å
• b: 11.2426 ± 0.0001 Å
• c: 11.2426 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1421.02 ± 0.02 ų
• Cell temperature: 292.9 ± 0.3 K
• Ambient diffraction temperature: 292.9 K
• Number of distinct elements: 5
• Space group number: 222
• Hermann-Mauguin space group symbol: P n -3 n :1
• Hall space group symbol: P 4 2 3 -1n
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for significantly intense reflections: 1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No