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. |