Materials Data on KLa2N7 by Materials Project

Abstract

KLa2N7 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six N1- atoms. There are a spread of K–N bond distances ranging from 2.91–3.22 Å. La3+ is bonded in a 6-coordinate geometry to six N1- atoms. There are a spread of La–N bond distances ranging from 2.46–2.63 Å. There are four inequivalent N1- sites. In the first N1- site, N1- is bonded to one K1+, two equivalent La3+, and one N1- atom to form distorted corner-sharing NKLa2N trigonal pyramids. The N–N bond length is 1.31 Å. In the second N1- site, N1- is bonded in a distorted bent 120 degrees geometry to two equivalent N1- atoms. In the third N1- site, N1- is bonded in a 1-coordinate geometry to one K1+, two equivalent La3+, and one N1- atom. The N–N bond length is 1.23 Å. In the fourth N1- site, N1- is bonded in a 4-coordinate geometry to one K1+, two equivalent La3+, and one N1- atom.