Information card for entry 7233626

Structure parameters

• Chemical name: sodium titanium disulfide, sodium deficient
• Formula: Na0.5 S2 Ti
• Calculated formula: Na0.5 S2 Ti
• Title of publication: Structural complexities and sodium-ion diffusion in the intercalates NaxTiS2: move it, change it, re-diffract it
• Authors of publication: Wiedemann, Dennis; Suard, Emmanuelle; Lerch, Martin
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 48
• Pages of publication: 27780
• a: 3.45878 ± 0.00005 Å
• b: 3.45878 ± 0.00005 Å
• c: 21.201 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 219.651 ± 0.007 ų
• Cell temperature: 573.15 K
• Ambient diffraction temperature: 573.15 K
• Number of distinct elements: 3
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for all reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0349
• Residual factor R(I) for significantly intense reflections: 0.0462
• Goodness-of-fit parameter for all reflections: 1.46
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.594 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No