CrCoN2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Cr(1) is bonded to six equivalent N(1) atoms to form distorted CrN6 pentagonal pyramids that share corners with six equivalent Co(1)N6 octahedra, edges with six equivalent Co(1)N6 octahedra, and edges with six equivalent Cr(1)N6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 1°. Co(1) is bonded to six equivalent N(1) atoms to form CoN6 octahedra that share corners with six equivalent Cr(1)N6 pentagonal pyramids, edges with six equivalent Co(1)N6 octahedra, and edges with six equivalent Cr(1)N6 pentagonal pyramids. N(1) is bonded to three equivalent Cr(1) and three equivalent Co(1) atoms to form a mixture of edge, face, and corner-sharing NCr3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-47°.
CrCoN2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Cr(1) is bonded to six equivalent N(1) atoms to form distorted CrN6 pentagonal pyramids that share corners with six equivalent Co(1)N6 octahedra, edges with six equivalent Co(1)N6 octahedra, and edges with six equivalent Cr(1)N6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 1°. All Cr(1)-N(1) bond lengths are 2.01 Å. Co(1) is bonded to six equivalent N(1) atoms to form CoN6 octahedra that share corners with six equivalent Cr(1)N6 pentagonal pyramids, edges with six equivalent Co(1)N6 octahedra, and edges with six equivalent Cr(1)N6 pentagonal pyramids. All Co(1)-N(1) bond lengths are 2.02 Å. N(1) is bonded to three equivalent Cr(1) and three equivalent Co(1) atoms to form a mixture of edge, face, and corner-sharing NCr3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-47°.