Materials Data on Co4N by Materials Project

Abstract

Co4N crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded in a linear geometry to four equivalent Co and two equivalent N atoms. All Co–Co bond lengths are 2.63 Å. Both Co–N bond lengths are 1.86 Å. In the second Co site, Co is bonded to twelve equivalent Co atoms to form CoCo12 cuboctahedra that share corners with twelve equivalent CoCo12 cuboctahedra, faces with six equivalent CoCo12 cuboctahedra, and faces with eight equivalent NCo6 octahedra. N is bonded to six equivalent Co atoms to form NCo6 octahedra that share corners with six equivalent NCo6 octahedra and faces with eight equivalent CoCo12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.