Materials Data on Zr4Os2N by Materials Project

Abstract

Zr4Os2N crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Os atoms. All Zr–Os bond lengths are 2.72 Å. In the second Zr site, Zr is bonded in a distorted bent 150 degrees geometry to two equivalent Os and two equivalent N atoms. Both Zr–Os bond lengths are 2.89 Å. Both Zr–N bond lengths are 2.33 Å. Os is bonded in a 12-coordinate geometry to six Zr atoms. N is bonded to six equivalent Zr atoms to form corner-sharing NZr6 octahedra. The corner-sharing octahedral tilt angles are 38°.