Li3GaN2 crystallizes in the cubic Ia-3 space group. Li(1) is bonded to one N(2) and three equivalent N(1) atoms to form distorted LiN4 tetrahedra that share corners with four equivalent Ga(1)N4 tetrahedra, corners with twelve equivalent Li(1)N4 tetrahedra, edges with two equivalent Ga(1)N4 tetrahedra, and edges with four equivalent Li(1)N4 tetrahedra. Ga(1) is bonded to one N(2) and three equivalent N(1) atoms to form GaN4 tetrahedra that share corners with four equivalent Ga(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(2) is bonded in a body-centered cubic geometry to six equivalent Li(1) and two equivalent Ga(1) atoms. In the second N site, N(1) is bonded in a body-centered cubic geometry to six equivalent Li(1) and two equivalent Ga(1) atoms.
Li3GaN2 crystallizes in the cubic Ia-3 space group. Li(1) is bonded to one N(2) and three equivalent N(1) atoms to form distorted LiN4 tetrahedra that share corners with four equivalent Ga(1)N4 tetrahedra, corners with twelve equivalent Li(1)N4 tetrahedra, edges with two equivalent Ga(1)N4 tetrahedra, and edges with four equivalent Li(1)N4 tetrahedra. The Li(1)-N(2) bond length is 2.13 Å. There are a spread of Li(1)-N(1) bond distances ranging from 2.06-2.15 Å. Ga(1) is bonded to one N(2) and three equivalent N(1) atoms to form GaN4 tetrahedra that share corners with four equivalent Ga(1)N4 tetrahedra, corners with twelve equivalent Li(1)N4 tetrahedra, and edges with six equivalent Li(1)N4 tetrahedra. The Ga(1)-N(2) bond length is 1.96 Å. All Ga(1)-N(1) bond lengths are 1.99 Å. There are two inequivalent N sites. In the first N site, N(2) is bonded in a body-centered cubic geometry to six equivalent Li(1) and two equivalent Ga(1) atoms. In the second N site, N(1) is bonded in a body-centered cubic geometry to six equivalent Li(1) and two equivalent Ga(1) atoms.