Figure 13
The structures generated by populating Zn atoms in different symmetry-related groups of tetrahedral sites for the (17)2 hexaferrite, with their computed energies above the most stable configuration in eV. In each structure, the eight zinc atoms are distributed over two groups of symmetry-related tetrahedral sites, each of which contains four tetrahedra (coloured orange). Fe octahedra are shown in dark blue, with bipyramids in grey and tetrahedra in light blue. |