Materials Data on CoN3 by Materials Project
CoN3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Co3+ is bonded to six equivalent N1- atoms to form CoN6 octahedra that share corners with six equivalent CoN6 octahedra and corners with twelve equivalent NCo2N2 tetrahedra. The corner-sharing octahedral tilt angles are 72°. All Co–N bond lengths are 1.94 Å. N1- is bonded to two equivalent Co3+ and two equivalent N1- atoms to form distorted NCo2N2 tetrahedra that share corners with four equivalent CoN6 octahedra, corners with ten equivalent NCo2N2 tetrahedra, and an edgeedge with one NCo2N2 tetrahedra. The corner-sharing octahedra tilt angles range from 64–66°. There is one shorter (1.45 Å) and one longer (1.56 Å) N–N bond length.