Information card for entry 2003034

Structure parameters

• Formula: Mo6 O12 Pr
• Calculated formula: Mo6 O12 Pr
• Title of publication: A new reduced molybdenum oxide with hollandite-type structure, PrMo~6~O~12~
• Authors of publication: Barrier, N.; Tortelier, J.; Gougeon, P.
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2001
• Journal volume: 57
• Pages of publication: i3 - i5
• a: 9.9147 ± 0.0003 Å
• b: 9.9147 ± 0.0003 Å
• c: 8.6508 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 850.38 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No