Materials Data on KAlN4 by Materials Project

KAlN4 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of K–N bond distances ranging from 2.86–3.02 Å. Al3+ is bonded in a tetrahedral geometry to four N1- atoms. All Al–N bond lengths are 1.92 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Al3+ atom. In the second N1- site, N1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Al3+ atom.