Nature Communications (Feb 2017)

Ellipsoidal analysis of coordination polyhedra

  • James Cumby,
  • J. Paul Attfield

DOI
https://doi.org/10.1038/ncomms14235
Journal volume & issue
Vol. 8, no. 1
pp. 1 – 8

Abstract

Read online

Simple polyhedra in crystalline compounds are often deformed, so methods for analysing their distortions are useful. Here, the authors demonstrate that analysis of the minimum bounding ellipsoid of a coordination polyhedron provides a general method for studying distortion.