view article

Figure 8
The two principal modes of the `order–disorder' structural phase transition, LD4 and GM1. The LD4 mode can be seen as an anti- and clockwise movement of the octahedra, drawn with black and white circular arrows, respectively. The GM1 mode is an opposite pair movement of the oxygen atoms (straight red arrow). The modes were found by ISODISTORT (Campbell et al., 2006View full citation; Stokes et al., 2010View full citation) looking at the structure refinements for the high-temperature phase and the CDW ground state, a monoclinic structure.

ISSN: 2052-2525