Materials Data on Zr(FeSi)2 by Materials Project
Zr(FeSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zr2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Zr–Si bond lengths are 2.98 Å. Fe3+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing FeSi4 tetrahedra. All Fe–Si bond lengths are 2.24 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Zr2+, four equivalent Fe3+, and one Si4- atom. The Si–Si bond length is 2.40 Å.