Ba5CrN5 crystallizes in the monoclinic C2/m space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent N(1) and two equivalent N(3) atoms to form BaN4 trigonal pyramids that share corners with two equivalent Cr(1)N4 tetrahedra and  an edgeedge with one Ba(1)N4 trigonal pyramid. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one N(1), two equivalent N(2), and four equivalent N(3) atoms. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to one N(1) and four equivalent N(2) atoms. In the fourth Ba site, Ba(4) is bonded in a 5-coordinate geometry to one N(1), two equivalent N(2), and two equivalent N(3) atoms. Cr(1) is bonded to two equivalent N(2) and two equivalent N(3) atoms to form CrN4 tetrahedra that share corners with two equivalent Ba(1)N4 trigonal pyramids. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Ba(2), one Ba(3), two equivalent Ba(1), and two equivalent Ba(4) atoms to form edge-sharing NBa6 octahedra. In the second N site, N(2) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(3), two equivalent Ba(4), and one Cr(1) atom. In the third N site, N(3) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), two equivalent Ba(4), and one Cr(1) atom.
Ba5CrN5 crystallizes in the monoclinic C2/m space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent N(1) and two equivalent N(3) atoms to form BaN4 trigonal pyramids that share corners with two equivalent Cr(1)N4 tetrahedra and  an edgeedge with one Ba(1)N4 trigonal pyramid. There is one shorter (2.63 Å) and one longer (2.77 Å) Ba(1)-N(1) bond length. Both Ba(1)-N(3) bond lengths are 2.84 Å. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one N(1), two equivalent N(2), and four equivalent N(3) atoms. The Ba(2)-N(1) bond length is 2.84 Å. Both Ba(2)-N(2) bond lengths are 2.82 Å. There are two shorter (3.03 Å) and two longer (3.06 Å) Ba(2)-N(3) bond lengths. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to one N(1) and four equivalent N(2) atoms. The Ba(3)-N(1) bond length is 2.72 Å. There are two shorter (2.90 Å) and two longer (2.92 Å) Ba(3)-N(2) bond lengths. In the fourth Ba site, Ba(4) is bonded in a 5-coordinate geometry to one N(1), two equivalent N(2), and two equivalent N(3) atoms. The Ba(4)-N(1) bond length is 2.84 Å. There is one shorter (2.74 Å) and one longer (2.76 Å) Ba(4)-N(2) bond length. Both Ba(4)-N(3) bond lengths are 2.91 Å. Cr(1) is bonded to two equivalent N(2) and two equivalent N(3) atoms to form CrN4 tetrahedra that share corners with two equivalent Ba(1)N4 trigonal pyramids. Both Cr(1)-N(2) bond lengths are 1.75 Å. Both Cr(1)-N(3) bond lengths are 1.75 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Ba(2), one Ba(3), two equivalent Ba(1), and two equivalent Ba(4) atoms to form edge-sharing NBa6 octahedra. In the second N site, N(2) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(3), two equivalent Ba(4), and one Cr(1) atom. In the third N site, N(3) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), two equivalent Ba(4), and one Cr(1) atom.