Information card for entry 4001101

Structure parameters

• Formula: H2 K O9 S2 Ti
• Calculated formula: H2 K O9 S2 Ti
• Title of publication: A New Realisation of theS= 1/2 Frustrated Chain Antiferromagnet
• Authors of publication: Nilsen, G. J.; Rønnow, H. M.; Läuchli, A. M.; Fabbiani, F. P. A.; Sanchez-Benitez, J.; Kamenev, K. V.; Harrison, A.
• Journal of publication: Chemistry of Materials
• Year of publication: 2008
• Journal volume: 20
• Journal issue: 1
• Pages of publication: 8
• a: 7.6492 ± 0.0003 Å
• b: 5.258 ± 0.0002 Å
• c: 9.0485 ± 0.0003 Å
• α: 90°
• β: 101.742 ± 0.002°
• γ: 90°
• Cell volume: 356.31 ± 0.02 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for all reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0474
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No