Materials Data on LaN3 by Materials Project

Abstract

LaN3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 3-coordinate geometry to six N1- atoms. There are a spread of La–N bond distances ranging from 2.26–2.99 Å. In the second La3+ site, La3+ is bonded in a 7-coordinate geometry to seven N1- atoms. There are a spread of La–N bond distances ranging from 2.21–2.90 Å. There are six inequivalent N1- sites. In the first N1- site, N1- is bonded in a 4-coordinate geometry to two equivalent La3+ and two N1- atoms. Both N–N bond lengths are 1.31 Å. In the second N1- site, N1- is bonded in a distorted bent 150 degrees geometry to one La3+ and one N1- atom. The N–N bond length is 1.13 Å. In the third N1- site, N1- is bonded in a distorted trigonal non-coplanar geometry to three La3+ atoms. In the fourth N1- site, N1- is bonded in a distorted water-like geometry to one La3+ and one N1- atom. In the fifth N1- site, N1- is bonded in a rectangular see-saw-like geometry to three La3+ and one N1- atom. In the sixth N1- site, N1- is bonded in a 2-coordinate geometry to three La3+ and one N1- atom.