Information card for entry 2310740

Structure parameters

• Formula: Fe0.615 La3.333 O11.333 Ti2.718
• Calculated formula: Fe0.464 La3.3344 O11.3328 Ti1.504
• Title of publication: Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6)
• Authors of publication: Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander
• Journal of publication: Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: 137 - 144
• a: 7.8394 ± 0.0015 Å
• b: 5.2244 ± 0.0013 Å
• c: 5.5468 ± 0.00011 Å
• α: 90°
• β: 90°
• γ: 89.997 ± 0.016°
• Cell volume: 227.18 ± 0.07 ų
• Cell temperature: 320 K
• Ambient diffraction temperature: 320 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1 (2*c,2*a+c,b)
• Hall space group symbol: -P 2ybc (-1/4*x+1/2*z,1/2*x,y)
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for significantly intense reflections: 2.91
• Goodness-of-fit parameter for all reflections included in the refinement: 2.84
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No