Materials Data on FeN2 by Materials Project

Abstract

FeN2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent N1- atoms to form FeN6 octahedra that share corners with eight equivalent FeN6 octahedra, corners with six equivalent NFe3N tetrahedra, and edges with two equivalent FeN6 octahedra. The corner-sharing octahedral tilt angles are 66°. There is two shorter (1.94 Å) and four longer (1.98 Å) Fe–N bond length. N1- is bonded to three equivalent Fe2+ and one N1- atom to form distorted NFe3N tetrahedra that share corners with three equivalent FeN6 octahedra, corners with thirteen equivalent NFe3N tetrahedra, and an edgeedge with one NFe3N tetrahedra. The corner-sharing octahedra tilt angles range from 63–67°. The N–N bond length is 1.33 Å.