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Figure 2
Progressively increasing rhombic distortion of a quadrilateral arrangement of atoms a (dark gray) measured against the vertices v of a square model (blue). The rhombus is contracted along the a1a3 diagonal by a factor k and stretched along the a2a4 diagonal by the same amount. Values of the distortion metrics δ and S (CSM) are plotted in the diagram on the right, with the examples given on the left marked with dots. Note: these are very strong distortions. Common use cases for a program such as Polynator involve distortion values δ < 30. In this range, the δ curve is approximately linear, and the S curve is approximately quadratic.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 56| Part 6| December 2023| Pages 1855-1864
https://doi.org/10.1107/S1600576723008476
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