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Figure 3
Bond-length distribution in ionic crystals including 3d transition metal elements. The coordination environments are coloured as shown in the insets. To distinguish similar colours, attention must be paid to the stacking order for some of the CEs: we use the stacking order in the insets. Arrows on the x axis show the bond lengths calculated from Shannon's IRs (see the text for discussion). The arrows have labels with two numbers: upper numbers for ionic valence, lower for CN. The same tag can be at different bond lengths since spin dependence is not shown. The weight accumulated to construct the distribution is given by equation (1)[link].

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 55| Part 5| October 2022| Pages 1359-1367
https://doi.org/10.1107/S1600576722006884
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