Materials Data on LaCoN3 by Materials Project

Abstract

LaCoN3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. La3+ is bonded in a 5-coordinate geometry to five N+1.67- atoms. There are a spread of La–N bond distances ranging from 2.42–2.81 Å. Co2+ is bonded in a distorted trigonal planar geometry to three N+1.67- atoms. There are a spread of Co–N bond distances ranging from 1.68–1.91 Å. There are three inequivalent N+1.67- sites. In the first N+1.67- site, N+1.67- is bonded to three equivalent La3+ and two equivalent Co2+ atoms to form a mixture of edge and corner-sharing NLa3Co2 trigonal bipyramids. In the second N+1.67- site, N+1.67- is bonded in a 1-coordinate geometry to one Co2+ and one N+1.67- atom. The N–N bond length is 1.18 Å. In the third N+1.67- site, N+1.67- is bonded in a 3-coordinate geometry to two equivalent La3+ and one N+1.67- atom.