LiMn2N3 crystallizes in the orthorhombic Cmc2_1 space group. Li(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted LiN4 tetrahedra that share corners with two equivalent Li(1)N4 tetrahedra and corners with ten equivalent Mn(1)N4 tetrahedra. Mn(1) is bonded to one N(2) and three equivalent N(1) atoms to form MnN4 tetrahedra that share corners with five equivalent Li(1)N4 tetrahedra and corners with seven equivalent Mn(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Mn(1) atoms. In the second N site, N(1) is bonded to one Li(1) and three equivalent Mn(1) atoms to form corner-sharing NLiMn3 tetrahedra.
LiMn2N3 crystallizes in the orthorhombic Cmc2_1 space group. Li(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted LiN4 tetrahedra that share corners with two equivalent Li(1)N4 tetrahedra and corners with ten equivalent Mn(1)N4 tetrahedra. Both Li(1)-N(1) bond lengths are 2.14 Å. There is one shorter (2.12 Å) and one longer (2.29 Å) Li(1)-N(2) bond length. Mn(1) is bonded to one N(2) and three equivalent N(1) atoms to form MnN4 tetrahedra that share corners with five equivalent Li(1)N4 tetrahedra and corners with seven equivalent Mn(1)N4 tetrahedra. The Mn(1)-N(2) bond length is 1.76 Å. There is one shorter (1.82 Å) and two longer (1.83 Å) Mn(1)-N(1) bond lengths. There are two inequivalent N sites. In the first N site, N(2) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Mn(1) atoms. In the second N site, N(1) is bonded to one Li(1) and three equivalent Mn(1) atoms to form corner-sharing NLiMn3 tetrahedra.