Mg2IrN3 crystallizes in the orthorhombic Cmc2_1 space group. Mg(1) is bonded to one N(2) and four equivalent N(1) atoms to form MgN5 trigonal bipyramids that share corners with three equivalent Ir(1)N5 trigonal bipyramids, corners with five equivalent Mg(1)N5 trigonal bipyramids, edges with two equivalent Ir(1)N5 trigonal bipyramids, and edges with four equivalent Mg(1)N5 trigonal bipyramids. Ir(1) is bonded to two equivalent N(1) and three equivalent N(2) atoms to form distorted IrN5 trigonal bipyramids that share corners with two equivalent Ir(1)N5 trigonal bipyramids, corners with six equivalent Mg(1)N5 trigonal bipyramids, edges with two equivalent Ir(1)N5 trigonal bipyramids, and edges with four equivalent Mg(1)N5 trigonal bipyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to four equivalent Mg(1) and one Ir(1) atom to form NMg4Ir trigonal bipyramids that share corners with three equivalent N(2)Mg2Ir3 trigonal bipyramids, corners with five equivalent N(1)Mg4Ir trigonal bipyramids, edges with two equivalent N(2)Mg2Ir3 trigonal bipyramids, and edges with four equivalent N(1)Mg4Ir trigonal bipyramids. In the second N site, N(2) is bonded to two equivalent Mg(1) and three equivalent Ir(1) atoms to form distorted NMg2Ir3 trigonal bipyramids that share corners with two equivalent N(2)Mg2Ir3 trigonal bipyramids, corners with six equivalent N(1)Mg4Ir trigonal bipyramids, edges with two equivalent N(2)Mg2Ir3 trigonal bipyramids, and edges with four equivalent N(1)Mg4Ir trigonal bipyramids.
Mg2IrN3 crystallizes in the orthorhombic Cmc2_1 space group. Mg(1) is bonded to one N(2) and four equivalent N(1) atoms to form MgN5 trigonal bipyramids that share corners with three equivalent Ir(1)N5 trigonal bipyramids, corners with five equivalent Mg(1)N5 trigonal bipyramids, edges with two equivalent Ir(1)N5 trigonal bipyramids, and edges with four equivalent Mg(1)N5 trigonal bipyramids. The Mg(1)-N(2) bond length is 2.25 Å. There are a spread of Mg(1)-N(1) bond distances ranging from 2.15-2.20 Å. Ir(1) is bonded to two equivalent N(1) and three equivalent N(2) atoms to form distorted IrN5 trigonal bipyramids that share corners with two equivalent Ir(1)N5 trigonal bipyramids, corners with six equivalent Mg(1)N5 trigonal bipyramids, edges with two equivalent Ir(1)N5 trigonal bipyramids, and edges with four equivalent Mg(1)N5 trigonal bipyramids. Both Ir(1)-N(1) bond lengths are 1.94 Å. There are a spread of Ir(1)-N(2) bond distances ranging from 1.93-2.38 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded to four equivalent Mg(1) and one Ir(1) atom to form NMg4Ir trigonal bipyramids that share corners with three equivalent N(2)Mg2Ir3 trigonal bipyramids, corners with five equivalent N(1)Mg4Ir trigonal bipyramids, edges with two equivalent N(2)Mg2Ir3 trigonal bipyramids, and edges with four equivalent N(1)Mg4Ir trigonal bipyramids. In the second N site, N(2) is bonded to two equivalent Mg(1) and three equivalent Ir(1) atoms to form distorted NMg2Ir3 trigonal bipyramids that share corners with two equivalent N(2)Mg2Ir3 trigonal bipyramids, corners with six equivalent N(1)Mg4Ir trigonal bipyramids, edges with two equivalent N(2)Mg2Ir3 trigonal bipyramids, and edges with four equivalent N(1)Mg4Ir trigonal bipyramids.