“…In the crystal structure of -FeSi 2 , the position of the Fe1 site is identical by the displacement vector R. Thus, we split the sites of Fe2, Si1, and Si2 into Fe2a, Si1a, and Si2a (normal stacking layer) and Fe2b, Si1b, and Si2b (stacking fault layer) with the constrain of x, y + 1/2, z + 1/2. As pointed out in previous studies [16][17][18], the atomic arrangements in the (0 0 1) plane of the normal stacking layer and in the (0 1 0) plane of the stacking fault layer are close to a twin relation.…”