Fig. 1: Distortion components and structural chemistry.
From: Multivariate analysis of disorder in metal–organic frameworks
a Illustrative A–X bond of length r. b The A–X bond following a structural distortion which increases its length by δr. c PDFs tracking the A–X bond between its original (orange) and distorted (black) state. d The first (blue) and second (pink) principal components. The latter acts as a signature of the distortion that occurred to the A–X bond. The x-axis scale is the same in (c) and (d). Structure of (e) oxo-centred trimer unit and (f) tetrahedral assembly. FeO6 octahedra (grey), O (red), C (grey) and H omitted for clarity.
