Ba(N3)2 crystallizes in the monoclinic P2_1/m space group. Ba(1) is bonded in a 9-coordinate geometry to two equivalent N(1), two equivalent N(4), two equivalent N(5), and three equivalent N(2) atoms. There are six inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to two equivalent Ba(1) and one N(6) atom. In the second N site, N(2) is bonded to three equivalent Ba(1) and one N(3) atom to form a mixture of corner and edge-sharing NBa3N tetrahedra. In the third N site, N(3) is bonded in a linear geometry to one N(2) and one N(4) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one N(3) atom. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one N(6) atom. In the sixth N site, N(6) is bonded in a linear geometry to one N(1) and one N(5) atom.
Ba(N3)2 crystallizes in the monoclinic P2_1/m space group. Ba(1) is bonded in a 9-coordinate geometry to two equivalent N(1), two equivalent N(4), two equivalent N(5), and three equivalent N(2) atoms. There is one shorter (2.94 Å) and one longer (2.97 Å) Ba(1)-N(1) bond length. Both Ba(1)-N(4) bond lengths are 2.90 Å. Both Ba(1)-N(5) bond lengths are 2.92 Å. There are two shorter (2.91 Å) and one longer (3.01 Å) Ba(1)-N(2) bond length. There are six inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to two equivalent Ba(1) and one N(6) atom. The N(1)-N(6) bond length is 1.18 Å. In the second N site, N(2) is bonded to three equivalent Ba(1) and one N(3) atom to form a mixture of corner and edge-sharing NBa3N tetrahedra. The N(2)-N(3) bond length is 1.18 Å. In the third N site, N(3) is bonded in a linear geometry to one N(2) and one N(4) atom. The N(3)-N(4) bond length is 1.17 Å. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one N(3) atom. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one N(6) atom. The N(5)-N(6) bond length is 1.18 Å. In the sixth N site, N(6) is bonded in a linear geometry to one N(1) and one N(5) atom.