Cu10N3 crystallizes in the trigonal P-3m1 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one Cu(3), one N(1), and one N(2) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent Cu(3) and two equivalent N(1) atoms. In the third Cu site, Cu(3) is bonded to six equivalent Cu(1) and six equivalent Cu(2) atoms to form CuCu12 cuboctahedra that share corners with six equivalent Cu(3)Cu12 cuboctahedra, faces with two equivalent N(2)Cu6 octahedra, and faces with six equivalent N(1)Cu6 octahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Cu(1) and three equivalent Cu(2) atoms to form NCu6 octahedra that share corners with three equivalent N(1)Cu6 octahedra, corners with three equivalent N(2)Cu6 octahedra, and faces with three equivalent Cu(3)Cu12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second N site, N(2) is bonded to six equivalent Cu(1) atoms to form NCu6 octahedra that share corners with six equivalent N(1)Cu6 octahedra and faces with two equivalent Cu(3)Cu12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°.
Cu10N3 crystallizes in the trigonal P-3m1 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one Cu(3), one N(1), and one N(2) atom. The Cu(1)-Cu(3) bond length is 2.66 Å. The Cu(1)-N(1) bond length is 1.90 Å. The Cu(1)-N(2) bond length is 1.91 Å. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent Cu(3) and two equivalent N(1) atoms. Both Cu(2)-Cu(3) bond lengths are 2.71 Å. Both Cu(2)-N(1) bond lengths are 1.94 Å. In the third Cu site, Cu(3) is bonded to six equivalent Cu(1) and six equivalent Cu(2) atoms to form CuCu12 cuboctahedra that share corners with six equivalent Cu(3)Cu12 cuboctahedra, faces with two equivalent N(2)Cu6 octahedra, and faces with six equivalent N(1)Cu6 octahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Cu(1) and three equivalent Cu(2) atoms to form NCu6 octahedra that share corners with three equivalent N(1)Cu6 octahedra, corners with three equivalent N(2)Cu6 octahedra, and faces with three equivalent Cu(3)Cu12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second N site, N(2) is bonded to six equivalent Cu(1) atoms to form NCu6 octahedra that share corners with six equivalent N(1)Cu6 octahedra and faces with two equivalent Cu(3)Cu12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°.