Materials Data on ZrCo4Si by Materials Project

Abstract

ZrCo4Si crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve equivalent Co and four equivalent Si atoms. All Zr–Co bond lengths are 2.78 Å. All Zr–Si bond lengths are 2.90 Å. Co is bonded to three equivalent Zr, six equivalent Co, and three equivalent Si atoms to form a mixture of edge, corner, and face-sharing CoZr3Co6Si3 cuboctahedra. There are three shorter (2.34 Å) and three longer (2.40 Å) Co–Co bond lengths. All Co–Si bond lengths are 2.78 Å. Si is bonded in a 4-coordinate geometry to four equivalent Zr and twelve equivalent Co atoms.