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Figure 14
Smooth distortion from triangular prismatic to octahedral environment by twisting the triangular prism around the principal axis. The deformation parameter α = 0 corresponds to the perfect trigonal prism while for α = 1, the upper (red → orange) and lower (green → cyan) triangles have been rotated respectively clockwise and counterclockwise by 30°, corresponding to an octahedron. The thin lines gives the fractions of triangular prismatic and octahedral environments obtained with the SimplestChemenvStrategy while the thick lines correspond to the fractions obtained with the MultiWeightsChemenvStrategy. Octahedral and triangular prismatic are respectively shown as solid and dashed lines.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 76| Part 4| August 2020| Pages 683-695
https://doi.org/10.1107/S2052520620007994
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