Materials Data on K2ZnN4 by Materials Project

K2ZnN4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six N1- atoms to form distorted KN6 pentagonal pyramids that share corners with two equivalent ZnN4 tetrahedra, edges with six KN6 pentagonal pyramids, and edges with two equivalent ZnN4 tetrahedra. There are a spread of K–N bond distances ranging from 2.75–3.06 Å. In the second K1+ site, K1+ is bonded to six N1- atoms to form distorted KN6 pentagonal pyramids that share corners with four equivalent ZnN4 tetrahedra, edges with six KN6 pentagonal pyramids, and an edgeedge with one ZnN4 tetrahedra. There are a spread of K–N bond distances ranging from 2.83–3.13 Å. Zn2+ is bonded to four N1- atoms to form ZnN4 tetrahedra that share corners with six KN6 pentagonal pyramids and edges with three KN6 pentagonal pyramids. There are a spread of Zn–N bond distances ranging from 1.92–1.97 Å. There are four inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Zn2+ atom. In the second N1- site, N1- is bonded in a 4-coordinate geometry to three K1+ and one Zn2+ atom. In the third N1- site, N1- is bonded in a distorted see-saw-like geometry to three K1+ and one Zn2+ atom. In the fourth N1- site, N1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Zn2+ atom.