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Figure 15
The energy increase compared with the lowest-energy structure for placing zinc atoms in the given number of RST (black), TST (blue) and T (red) groups of symmetry-related tetrahedra for the (34)3 hexaferrite. The low-energy values are shown in the inset. Lines are a guide for the eye, with the dashed black line indicating a point representing two RST groups with the additional constraint that the two tetrahedral sites are located within the same RST layer.

Volume 5| Part 6| November 2018| Pages 681-698
ISSN: 2052-2525