Information card for entry 7110442

Structure parameters

• Formula: O5 Pr2 S2 Ti2
• Calculated formula: O5 Pr2 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: 3.871 ± 0.001 Å
• b: 3.871 ± 0.001 Å
• c: 23.036 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 345.19 ± 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: 0.0307
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for all reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.0686
• Goodness-of-fit parameter for all reflections: 1.195
• Goodness-of-fit parameter for significantly intense reflections: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No