Information card for entry 7110441

Structure parameters

• Formula: Nd2 O5 S2 Ti2
• Calculated formula: Nd2 O5 S2 Ti2
• Title of publication: Ln2Ti2S2O5 (Ln = Nd, Pr, Sm): a novel series of defective Ruddlesden‒Popper phases
• Authors of publication: Goga, M.; Seshadri, R.; Ksenofontov, V.; Gütlich, P.; Tremel, W.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 11
• Pages of publication: 979
• a: 3.849 ± 0.001 Å
• b: 3.849 ± 0.001 Å
• c: 23.064 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 341.69 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.0168
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for all reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0415
• Goodness-of-fit parameter for all reflections: 1.235
• Goodness-of-fit parameter for significantly intense reflections: 1.235
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No