LiMgIr crystallizes in the cubic P-43m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Ir(1) atoms to form LiIr4 tetrahedra that share corners with four equivalent Mg(1)Ir4 tetrahedra, corners with twelve equivalent Mg(2)Ir4 tetrahedra, and edges with six equivalent Li(2)Ir4 tetrahedra. In the second Li site, Li(2) is bonded to four equivalent Ir(1) atoms to form distorted LiIr4 tetrahedra that share corners with four equivalent Mg(1)Ir4 tetrahedra, corners with four equivalent Mg(2)Ir4 tetrahedra, corners with eight equivalent Li(2)Ir4 tetrahedra, edges with two equivalent Li(1)Ir4 tetrahedra, and edges with four equivalent Mg(2)Ir4 tetrahedra. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Ir(1) atoms to form MgIr4 tetrahedra that share corners with four equivalent Li(1)Ir4 tetrahedra, corners with twelve equivalent Li(2)Ir4 tetrahedra, and edges with six equivalent Mg(2)Ir4 tetrahedra. In the second Mg site, Mg(2) is bonded to four equivalent Ir(1) atoms to form distorted MgIr4 tetrahedra that share corners with four equivalent Li(1)Ir4 tetrahedra, corners with four equivalent Li(2)Ir4 tetrahedra, corners with eight equivalent Mg(2)Ir4 tetrahedra, edges with two equivalent Mg(1)Ir4 tetrahedra, and edges with four equivalent Li(2)Ir4 tetrahedra. Ir(1) is bonded in a body-centered cubic geometry to one Li(1), three equivalent Li(2), one Mg(1), and three equivalent Mg(2) atoms.
LiMgIr crystallizes in the cubic P-43m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Ir(1) atoms to form LiIr4 tetrahedra that share corners with four equivalent Mg(1)Ir4 tetrahedra, corners with twelve equivalent Mg(2)Ir4 tetrahedra, and edges with six equivalent Li(2)Ir4 tetrahedra. All Li(1)-Ir(1) bond lengths are 2.57 Å. In the second Li site, Li(2) is bonded to four equivalent Ir(1) atoms to form distorted LiIr4 tetrahedra that share corners with four equivalent Mg(1)Ir4 tetrahedra, corners with four equivalent Mg(2)Ir4 tetrahedra, corners with eight equivalent Li(2)Ir4 tetrahedra, edges with two equivalent Li(1)Ir4 tetrahedra, and edges with four equivalent Mg(2)Ir4 tetrahedra. All Li(2)-Ir(1) bond lengths are 2.61 Å. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Ir(1) atoms to form MgIr4 tetrahedra that share corners with four equivalent Li(1)Ir4 tetrahedra, corners with twelve equivalent Li(2)Ir4 tetrahedra, and edges with six equivalent Mg(2)Ir4 tetrahedra. All Mg(1)-Ir(1) bond lengths are 2.68 Å. In the second Mg site, Mg(2) is bonded to four equivalent Ir(1) atoms to form distorted MgIr4 tetrahedra that share corners with four equivalent Li(1)Ir4 tetrahedra, corners with four equivalent Li(2)Ir4 tetrahedra, corners with eight equivalent Mg(2)Ir4 tetrahedra, edges with two equivalent Mg(1)Ir4 tetrahedra, and edges with four equivalent Li(2)Ir4 tetrahedra. All Mg(2)-Ir(1) bond lengths are 2.65 Å. Ir(1) is bonded in a body-centered cubic geometry to one Li(1), three equivalent Li(2), one Mg(1), and three equivalent Mg(2) atoms.