view article

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.

ISSN: 2052-5206
Follow Acta Cryst. B
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds