Ba3In3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 4-coordinate geometry to one N(3), one N(4), and two equivalent N(2) atoms. In the second Ba site, Ba(2) is bonded in a 5-coordinate geometry to one N(1), one N(3), one N(4), and two equivalent N(5) atoms. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to one N(1), one N(2), one N(4), one N(5), and two equivalent N(3) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form a mixture of corner and edge-sharing InN4 tetrahedra. In the second In site, In(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of distorted corner and edge-sharing InN4 tetrahedra. In the third In site, In(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form a mixture of corner and edge-sharing InN4 tetrahedra. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one In(1), one In(2), and one In(3) atom. In the second N site, N(2) is bonded to one Ba(3), two equivalent Ba(1), one In(2), and one In(3) atom to form distorted NBa3In2 trigonal bipyramids that share corners with four equivalent N(3)Ba4In2 octahedra and  an edgeedge with one N(2)Ba3In2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-71°. In the third N site, N(3) is bonded to one Ba(1), one Ba(2), two equivalent Ba(3), and two equivalent In(1) atoms to form NBa4In2 octahedra that share corners with four equivalent N(2)Ba3In2 trigonal bipyramids and edges with two equivalent N(3)Ba4In2 octahedra. In the fourth N site, N(4) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one In(3), and two equivalent In(2) atoms. In the fifth N site, N(5) is bonded in a 5-coordinate geometry to one Ba(3), two equivalent Ba(2), one In(1), and one In(3) atom.
Ba3In3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 4-coordinate geometry to one N(3), one N(4), and two equivalent N(2) atoms. The Ba(1)-N(3) bond length is 2.79 Å. The Ba(1)-N(4) bond length is 2.90 Å. There is one shorter (2.70 Å) and one longer (2.86 Å) Ba(1)-N(2) bond length. In the second Ba site, Ba(2) is bonded in a 5-coordinate geometry to one N(1), one N(3), one N(4), and two equivalent N(5) atoms. The Ba(2)-N(1) bond length is 3.18 Å. The Ba(2)-N(3) bond length is 2.83 Å. The Ba(2)-N(4) bond length is 2.89 Å. There is one shorter (2.65 Å) and one longer (2.88 Å) Ba(2)-N(5) bond length. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to one N(1), one N(2), one N(4), one N(5), and two equivalent N(3) atoms. The Ba(3)-N(1) bond length is 2.91 Å. The Ba(3)-N(2) bond length is 2.89 Å. The Ba(3)-N(4) bond length is 3.29 Å. The Ba(3)-N(5) bond length is 3.30 Å. There is one shorter (2.79 Å) and one longer (2.99 Å) Ba(3)-N(3) bond length. There are three inequivalent In sites. In the first In site, In(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form a mixture of corner and edge-sharing InN4 tetrahedra. The In(1)-N(1) bond length is 2.20 Å. The In(1)-N(5) bond length is 2.17 Å. There is one shorter (2.24 Å) and one longer (2.27 Å) In(1)-N(3) bond length. In the second In site, In(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of distorted corner and edge-sharing InN4 tetrahedra. The In(2)-N(1) bond length is 2.20 Å. The In(2)-N(2) bond length is 2.20 Å. There is one shorter (2.19 Å) and one longer (2.31 Å) In(2)-N(4) bond length. In the third In site, In(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form a mixture of corner and edge-sharing InN4 tetrahedra. The In(3)-N(1) bond length is 2.23 Å. The In(3)-N(2) bond length is 2.26 Å. The In(3)-N(4) bond length is 2.28 Å. The In(3)-N(5) bond length is 2.17 Å. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one In(1), one In(2), and one In(3) atom. In the second N site, N(2) is bonded to one Ba(3), two equivalent Ba(1), one In(2), and one In(3) atom to form distorted NBa3In2 trigonal bipyramids that share corners with four equivalent N(3)Ba4In2 octahedra and  an edgeedge with one N(2)Ba3In2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-71°. In the third N site, N(3) is bonded to one Ba(1), one Ba(2), two equivalent Ba(3), and two equivalent In(1) atoms to form NBa4In2 octahedra that share corners with four equivalent N(2)Ba3In2 trigonal bipyramids and edges with two equivalent N(3)Ba4In2 octahedra. In the fourth N site, N(4) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one In(3), and two equivalent In(2) atoms. In the fifth N site, N(5) is bonded in a 5-coordinate geometry to one Ba(3), two equivalent Ba(2), one In(1), and one In(3) atom.