Information card for entry 4339047

Structure parameters

• Formula: P7 Rb3 S25 Ti3
• Calculated formula: P7 Rb3.0002 S25 Ti3
• Title of publication: Rb(3)Ti(3)(P(4)S(13))(PS(4))(3) and Cs(2)Ti(2)(P(2)S(8))(PS(4))(2): two polar titanium thiophosphates with complex one-dimensional tunnels.
• Authors of publication: Wu, Yuandong; Bensch, Wolfgang
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 6170 - 6177
• a: 18.2475 ± 0.0009 Å
• b: 18.2475 ± 0.0009 Å
• c: 6.8687 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1980.67 ± 0.16 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No