Li3MnN2 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 Mn(1)N4 tetrahedra, corners with twelve equivalent Li(1)N4 tetrahedra, edges with two equivalent Mn(1)N4 tetrahedra, and edges with four equivalent Li(1)N4 tetrahedra. Mn(1) is bonded to one N(1) and three equivalent N(2) atoms to form MnN4 tetrahedra that share corners with four equivalent Mn(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 Mn(1) atoms. In the second N site, N(2) is bonded in a distorted body-centered cubic geometry to six equivalent Li(1) and two equivalent Mn(1) atoms.
Li3MnN2 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 Mn(1)N4 tetrahedra, corners with twelve equivalent Li(1)N4 tetrahedra, edges with two equivalent Mn(1)N4 tetrahedra, and edges with four equivalent Li(1)N4 tetrahedra. The Li(1)-N(1) bond length is 2.15 Å. There are a spread of Li(1)-N(2) bond distances ranging from 2.03-2.21 Å. Mn(1) is bonded to one N(1) and three equivalent N(2) atoms to form MnN4 tetrahedra that share corners with four equivalent Mn(1)N4 tetrahedra, corners with twelve equivalent Li(1)N4 tetrahedra, and edges with six equivalent Li(1)N4 tetrahedra. The Mn(1)-N(1) bond length is 1.86 Å. All Mn(1)-N(2) bond lengths are 1.95 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 Mn(1) atoms. In the second N site, N(2) is bonded in a distorted body-centered cubic geometry to six equivalent Li(1) and two equivalent Mn(1) atoms.