Li3IrN2 crystallizes in the cubic Ia-3 space group. Li(1) is bonded to one N(1) and three equivalent N(2) atoms to form distorted LiN4 tetrahedra that share corners with four equivalent Ir(1)N4 tetrahedra, corners with twelve equivalent Li(1)N4 tetrahedra, edges with two equivalent Ir(1)N4 tetrahedra, and edges with four equivalent Li(1)N4 tetrahedra. Ir(1) is bonded to one N(1) and three equivalent N(2) atoms to form distorted IrN4 tetrahedra that share corners with four equivalent Ir(1)N4 tetrahedra, corners with twelve equivalent Li(1)N4 tetrahedra, and edges with six equivalent Li(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a body-centered cubic geometry to six equivalent Li(1) and two equivalent Ir(1) atoms. In the second N site, N(2) is bonded in a body-centered cubic geometry to six equivalent Li(1) and two equivalent Ir(1) atoms.
Li3IrN2 crystallizes in the cubic Ia-3 space group. Li(1) is bonded to one N(1) and three equivalent N(2) atoms to form distorted LiN4 tetrahedra that share corners with four equivalent Ir(1)N4 tetrahedra, corners with twelve equivalent Li(1)N4 tetrahedra, edges with two equivalent Ir(1)N4 tetrahedra, and edges with four equivalent Li(1)N4 tetrahedra. The Li(1)-N(1) bond length is 2.21 Å. There are a spread of Li(1)-N(2) bond distances ranging from 2.06-2.24 Å. Ir(1) is bonded to one N(1) and three equivalent N(2) atoms to form distorted IrN4 tetrahedra that share corners with four equivalent Ir(1)N4 tetrahedra, corners with twelve equivalent Li(1)N4 tetrahedra, and edges with six equivalent Li(1)N4 tetrahedra. The Ir(1)-N(1) bond length is 2.00 Å. All Ir(1)-N(2) bond lengths are 2.09 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a body-centered cubic geometry to six equivalent Li(1) and two equivalent Ir(1) atoms. In the second N site, N(2) is bonded in a body-centered cubic geometry to six equivalent Li(1) and two equivalent Ir(1) atoms.