Information card for entry 2310747

Structure parameters

• Formula: Fe0.571 La3.429 O11.429 Ti2.858
• Calculated formula: Fe0.9048 La3.4288 O11.4288 Ti1.3824
• 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: 7.8339 ± 0.0019 Å
• b: 5.2752 ± 0.0013 Å
• c: 5.552 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 89.99 ± 0.016°
• Cell volume: 229.44 ± 0.11 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: 0.0671
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for significantly intense reflections: 3.35
• Goodness-of-fit parameter for all reflections included in the refinement: 3.25
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No