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Figure 7
The crystal structures of (a) JT-active C2/m NaNiO2 and (b) inactive [R {\overline 3} c] Fe2O3. (c) and (d) Comparisons of various metrics for quantifying the degree of JT distortion as a function of pressure, for NiO6 octahedra in NaNiO2 and FeO6 octahedra in Fe2O3, respectively. The parameters subject to comparison are the magnitude ρ0, the bond-length distortion index, the effective coordination number and quadratic elongation. Dashed lines indicate a linear fit to the data, whereas solid lines connect data points.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 57| Part 1| February 2024| Pages 20-33
https://doi.org/10.1107/S1600576723009925
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