Materials Data on Ce2BiN by Materials Project

Abstract

Ce2BiN crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Bi and four equivalent N atoms to form a mixture of distorted face and edge-sharing CeBi4N4 trigonal pyramids. All Ce–Bi bond lengths are 3.63 Å. All Ce–N bond lengths are 2.48 Å. In the second Ce site, Ce is bonded in a distorted single-bond geometry to five equivalent Bi and one N atom. There are four shorter (3.32 Å) and one longer (3.39 Å) Ce–Bi bond lengths. The Ce–N bond length is 2.22 Å. Bi is bonded to nine Ce atoms to form a mixture of distorted face, edge, and corner-sharing BiCe9 square pyramids. N is bonded in a 5-coordinate geometry to five Ce atoms.