Materials Data on Zr2InCo2 by Materials Project

Abstract

Zr2Co2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Zr is bonded in a 6-coordinate geometry to six equivalent Co and four equivalent In atoms. There are two shorter (2.67 Å) and four longer (2.71 Å) Zr–Co bond lengths. All Zr–In bond lengths are 3.15 Å. Co is bonded in a 6-coordinate geometry to six equivalent Zr, one Co, and two equivalent In atoms. The Co–Co bond length is 2.58 Å. Both Co–In bond lengths are 2.85 Å. In is bonded to eight equivalent Zr, four equivalent Co, and two equivalent In atoms to form a mixture of distorted corner and face-sharing InZr8In2Co4 cuboctahedra. Both In–In bond lengths are 3.30 Å.