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Figure 5
The results of our analysis of LaAlO3 as a function of temperature. (a) The octahedral tilting angle as reported by Hayward et al. (2005BB42) and extracted using DataThief III (Tummers, 2006BB92). (b) The radii of the minimum bounding ellipsoid fitted to the O anions of the AlO6 octahedra using PIEFACE (Cumby & Attfield, 2017BB24). (c) The octahedral shear parameter Q5 of the AlO6 octahedra, where Q5 = −Q4 = −Q6, calculated using VanVleckCalculator, compared with the bond-angle standard deviation σζ (orange). (d) The shear fraction η, defined in equation (22[link]). (e) The transition between low-symmetry (tilting) and high-symmetry (tilt-free) perovskite structures, adapted with permission from Angel et al. (2005BB5), copyright (2005) American Physical Society. (f) The perovskite crystal structure of LaAlO3 at 4.2 K, drawn using the structure reported by Hayward et al. (2005BB42).

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 57| Part 1| February 2024| Pages 20-33
https://doi.org/10.1107/S1600576723009925
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