Information card for entry 1560614

Structure parameters

• Formula: Fe0.801 Li2.403 O8 Ti2.799
• Calculated formula: Fe0.801 Li2.403 O8 Ti2.799
• Title of publication: Determination of cation distribution in the Fe[Li 1/2 Fe 3/2 ]O 4 −LiFeTiO 4 −Li[Li 1/3 Ti 5/3 ]O 4 system: Mixed nature of solid solution and superlattice
• Authors of publication: Mukai, Kazuhiko; Kato, Yuichi; Nakano, Hideyuki
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 247
• Pages of publication: 67 - 76
• a: 8.35013 ± 0.00003 Å
• b: 8.35013 ± 0.00003 Å
• c: 8.35013 ± 0.00003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 582.21 ± 0.004 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 212
• Hermann-Mauguin space group symbol: P 43 3 2
• Hall space group symbol: P 4acd 2ab 3
• Residual factor for all reflections: 0.06246
• RFsqd: 0.06646
• Residual factor R(I) for significantly intense reflections: 0.0499
• Goodness-of-fit parameter for all reflections: 1.2049
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.60001 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No