Ba3Ir2(NO2)12 crystallizes in the tetragonal P-4m2 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to four equivalent O(4) and eight equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded to eight equivalent O(2) atoms to form edge-sharing BaO8 hexagonal bipyramids. In the third Ba site, Ba(3) is bonded to four equivalent O(4) and eight equivalent O(2) atoms to form edge-sharing BaO12 cuboctahedra. Ir(1) is bonded in a 5-coordinate geometry to one N(2) and four equivalent N(3) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the second N site, N(2) is bonded in a single-bond geometry to one Ir(1) atom. In the third N site, N(3) is bonded in a distorted trigonal non-coplanar geometry to one Ir(1), one O(1), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), one N(1), and one N(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ba(2), one Ba(3), and one O(2) atom. In the third O site, O(3) is bonded in an L-shaped geometry to two equivalent N(3) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(3), and one O(4) atom.
Ba3Ir2(NO2)12 crystallizes in the tetragonal P-4m2 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to four equivalent O(4) and eight equivalent O(1) atoms. All Ba(1)-O(4) bond lengths are 2.92 Å. All Ba(1)-O(1) bond lengths are 3.10 Å. In the second Ba site, Ba(2) is bonded to eight equivalent O(2) atoms to form edge-sharing BaO8 hexagonal bipyramids. All Ba(2)-O(2) bond lengths are 2.89 Å. In the third Ba site, Ba(3) is bonded to four equivalent O(4) and eight equivalent O(2) atoms to form edge-sharing BaO12 cuboctahedra. All Ba(3)-O(4) bond lengths are 2.86 Å. All Ba(3)-O(2) bond lengths are 2.96 Å. Ir(1) is bonded in a 5-coordinate geometry to one N(2) and four equivalent N(3) atoms. The Ir(1)-N(2) bond length is 1.68 Å. All Ir(1)-N(3) bond lengths are 2.12 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. All N(1)-O(1) bond lengths are 1.95 Å. In the second N site, N(2) is bonded in a single-bond geometry to one Ir(1) atom. In the third N site, N(3) is bonded in a distorted trigonal non-coplanar geometry to one Ir(1), one O(1), and one O(3) atom. The N(3)-O(1) bond length is 1.29 Å. The N(3)-O(3) bond length is 1.52 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), one N(1), and one N(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ba(2), one Ba(3), and one O(2) atom. The O(2)-O(2) bond length is 1.32 Å. In the third O site, O(3) is bonded in an L-shaped geometry to two equivalent N(3) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(3), and one O(4) atom. The O(4)-O(4) bond length is 1.31 Å.