Information card for entry 2237725

Structure parameters

• Chemical name: Dineodymium(III) dititanium(IV) heptaoxide
• Formula: Nd2 O7 Ti2
• Calculated formula: Nd2 O7 Ti2
• Title of publication: Redetermination of Nd~2~Ti~2~O~7~: a non-centrosymmetric structure with perovskite-type slabs
• Authors of publication: Ishizawa, Nobuo; Ninomiya, Keisuke; Sakakura, Terutoshi; Wang, Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: i19
• a: 7.6747 ± 0.0001 Å
• b: 13.0025 ± 0.0002 Å
• c: 5.464 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 98.5165 ± 0.0005°
• Cell volume: 539.242 ± 0.015 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 1 21
• Hall space group symbol: P 2c
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0268
• Weighted residual factors for all reflections included in the refinement: 0.0272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.37
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes