Materials Data on LaMoN3 by Materials Project

Abstract

LaMoN3 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. La3+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of La–N bond distances ranging from 2.45–3.03 Å. Mo6+ is bonded to five N3- atoms to form a mixture of distorted edge and corner-sharing MoN5 trigonal bipyramids. There are a spread of Mo–N bond distances ranging from 1.80–2.12 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 4-coordinate geometry to three equivalent La3+ and one Mo6+ atom. In the second N3- site, N3- is bonded in a 4-coordinate geometry to one La3+ and three equivalent Mo6+ atoms. In the third N3- site, N3- is bonded to three equivalent La3+ and one Mo6+ atom to form corner-sharing NLa3Mo tetrahedra.