Van Vleck analysis of angularly distorted octahedra using <i>VanVleckCalculator</i>.

The structural effect of a rotation of φ within a range of 120° can be quite significant, as shown in Fig. 3 ▸ ; such changes can manifest as a JT-elongated (compressed) octahedron with four short (long) and two long (short) bonds [such as NiO 6 in NaNiO 2 (Nagle-Cocco et al. , 2022 ▸ )] or two short, two medium and two long bonds [such as LaMnO 3 (Rodriguez-Carvajal et al. , 1998 ▸ )].

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