Ba3Y3N5 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 5-coordinate geometry to one N(3), one N(4), one N(5), and two equivalent N(2) atoms. In the second Ba site, Ba(2) is bonded in a 4-coordinate geometry to one N(3), one N(5), and two equivalent N(1) atoms. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(5), and two equivalent N(3) atoms. There are three inequivalent Y sites. In the first Y site, Y(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 YN4 trigonal pyramids. In the second Y site, Y(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 YN4 tetrahedra. In the third Y site, Y(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 YN4 tetrahedra. There are five inequivalent N sites. In the first N site, N(1) is bonded to one Ba(3), two equivalent Ba(2), one Y(1), one Y(2), and one Y(3) atom to form distorted edge-sharing NBa3Y3 octahedra. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Ba(3), two equivalent Ba(1), one Y(2), and one Y(3) atom. In the third N site, N(3) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), and two equivalent Y(1) atoms. In the fourth N site, N(4) is bonded in a 4-coordinate geometry to one Ba(1), one Y(3), and two equivalent Y(2) atoms. In the fifth N site, N(5) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Y(1), and one Y(3) atom.
Ba3Y3N5 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 5-coordinate geometry to one N(3), one N(4), one N(5), and two equivalent N(2) atoms. The Ba(1)-N(3) bond length is 2.73 Å. The Ba(1)-N(4) bond length is 2.88 Å. The Ba(1)-N(5) bond length is 3.35 Å. There is one shorter (2.73 Å) and one longer (3.21 Å) Ba(1)-N(2) bond length. In the second Ba site, Ba(2) is bonded in a 4-coordinate geometry to one N(3), one N(5), and two equivalent N(1) atoms. The Ba(2)-N(3) bond length is 3.08 Å. The Ba(2)-N(5) bond length is 2.67 Å. There is one shorter (2.87 Å) and one longer (3.19 Å) Ba(2)-N(1) bond length. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(5), and two equivalent N(3) atoms. The Ba(3)-N(1) bond length is 3.01 Å. The Ba(3)-N(2) bond length is 2.78 Å. The Ba(3)-N(5) bond length is 3.09 Å. There is one shorter (2.77 Å) and one longer (3.29 Å) Ba(3)-N(3) bond length. There are three inequivalent Y sites. In the first Y site, Y(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 YN4 trigonal pyramids. The Y(1)-N(1) bond length is 2.40 Å. The Y(1)-N(5) bond length is 2.25 Å. There is one shorter (2.29 Å) and one longer (2.30 Å) Y(1)-N(3) bond length. In the second Y site, Y(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 YN4 tetrahedra. The Y(2)-N(1) bond length is 2.32 Å. The Y(2)-N(2) bond length is 2.29 Å. There is one shorter (2.24 Å) and one longer (2.30 Å) Y(2)-N(4) bond length. In the third Y site, Y(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 YN4 tetrahedra. The Y(3)-N(1) bond length is 2.38 Å. The Y(3)-N(2) bond length is 2.32 Å. The Y(3)-N(4) bond length is 2.25 Å. The Y(3)-N(5) bond length is 2.25 Å. There are five inequivalent N sites. In the first N site, N(1) is bonded to one Ba(3), two equivalent Ba(2), one Y(1), one Y(2), and one Y(3) atom to form distorted edge-sharing NBa3Y3 octahedra. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Ba(3), two equivalent Ba(1), one Y(2), and one Y(3) atom. In the third N site, N(3) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), and two equivalent Y(1) atoms. In the fourth N site, N(4) is bonded in a 4-coordinate geometry to one Ba(1), one Y(3), and two equivalent Y(2) atoms. In the fifth N site, N(5) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Y(1), and one Y(3) atom.