LiIr2N3 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 Ir(1)N4 trigonal pyramids. Ir(1) is bonded to one N(2) and three equivalent N(1) atoms to form IrN4 trigonal pyramids that share corners with five equivalent Li(1)N4 tetrahedra and corners with seven equivalent Ir(1)N4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent Li(1) and two equivalent Ir(1) atoms to form corner-sharing NLi2Ir2 tetrahedra. In the second N site, N(1) is bonded in a rectangular see-saw-like geometry to one Li(1) and three equivalent Ir(1) atoms.
LiIr2N3 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 Ir(1)N4 trigonal pyramids. Both Li(1)-N(1) bond lengths are 2.33 Å. There is one shorter (2.02 Å) and one longer (2.03 Å) Li(1)-N(2) bond length. Ir(1) is bonded to one N(2) and three equivalent N(1) atoms to form IrN4 trigonal pyramids that share corners with five equivalent Li(1)N4 tetrahedra and corners with seven equivalent Ir(1)N4 trigonal pyramids. The Ir(1)-N(2) bond length is 1.92 Å. There are a spread of Ir(1)-N(1) bond distances ranging from 1.91-2.09 Å. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent Li(1) and two equivalent Ir(1) atoms to form corner-sharing NLi2Ir2 tetrahedra. In the second N site, N(1) is bonded in a rectangular see-saw-like geometry to one Li(1) and three equivalent Ir(1) atoms.