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Figure 14
The structures generated by populating Zn atoms in different symmetry-related groups of tetrahedral sites for the (34)3 hexaferrite, with their computed energies above the most stable configuration in eV. The unit cells contains a threefold repeat of the sequences shown. In each structure, the 24 zinc atoms are distributed over four groups of symmetry-related tetrahedral sites, each of which contains six tetrahedra (coloured orange). Fe octahedra are shown in dark blue, with bipyramids in grey and tetrahedra in light blue.

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