Results for “As-Co-Zr”

Materials Data on Zr6CoAs2 by Materials Project

Zr6CoAs2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 4-coordinate geometry to two equivalent Co and two equivalent As atoms. Both Zr–Co bond lengths are 2.58 Å. Both Zr–As bond lengths are 2.89 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to one Co and four equivalent As atoms. The Zr–Co bond length is 3.12 Å. All Zr–As bond lengths are 2.89 Å. Co is bonded in a 6-coordinate geometry to nine Zr atoms. As is bonded in a 9-coordinate geometry to nine Zr atoms.