Materials Data on K3YN6 by Materials Project

Abstract

K3YN6 crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of K–N bond distances ranging from 2.92–3.34 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of K–N bond distances ranging from 2.87–3.34 Å. Y3+ is bonded in an octahedral geometry to six N1- atoms. There are three shorter (2.27 Å) and three longer (2.31 Å) Y–N bond lengths. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a 5-coordinate geometry to four K1+ and one Y3+ atom. In the second N1- site, N1- is bonded in a 5-coordinate geometry to four K1+ and one Y3+ atom.