Materials Data on K2MnN4 by Materials Project

Abstract

K2MnN4 crystallizes in the monoclinic P2_1/c 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 2.79–3.31 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven N1- atoms. There are a spread of K–N bond distances ranging from 2.78–3.09 Å. Mn2+ is bonded in a tetrahedral geometry to four N1- atoms. There is two shorter (1.67 Å) and two longer (1.69 Å) Mn–N bond length. There are four inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted single-bond geometry to four K1+ and one Mn2+ atom. In the second N1- site, N1- is bonded in a distorted single-bond geometry to four K1+ and one Mn2+ atom. In the third N1- site, N1- is bonded in a distorted single-bond geometry to three K1+ and one Mn2+ atom. In the fourth N1- site, N1- is bonded in a distorted single-bond geometry to four K1+ and one Mn2+ atom.