Ga3Sn3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Ga sites. In the first Ga site, Ga(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 GaN4 tetrahedra. In the second Ga site, Ga(2) is bonded in a distorted see-saw-like geometry to one N(1), one N(2), and two equivalent N(4) atoms. In the third Ga site, Ga(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form corner-sharing GaN4 trigonal pyramids. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a water-like geometry to one N(2) and one N(3) atom. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one N(3) and two equivalent N(5) atoms. In the third Sn site, Sn(3) is bonded in a 3-coordinate geometry to one N(1), one N(2), and one N(4) atom. There are five inequivalent N sites. In the first N site, N(1) is bonded to one Ga(1), one Ga(2), one Ga(3), and one Sn(3) atom to form distorted NGa3Sn trigonal pyramids that share  a cornercorner with one N(2)Ga2Sn2 tetrahedra, corners with two equivalent N(5)Ga2Sn2 tetrahedra, corners with two equivalent N(4)Ga3Sn trigonal pyramids,  an edgeedge with one N(2)Ga2Sn2 tetrahedra, and  an edgeedge with one N(4)Ga3Sn trigonal pyramid. In the second N site, N(2) is bonded to one Ga(2), one Ga(3), one Sn(1), and one Sn(3) atom to form NGa2Sn2 tetrahedra that share  a cornercorner with one N(5)Ga2Sn2 tetrahedra,  a cornercorner with one N(1)Ga3Sn trigonal pyramid, corners with two equivalent N(4)Ga3Sn trigonal pyramids,  an edgeedge with one N(1)Ga3Sn trigonal pyramid, and  an edgeedge with one N(4)Ga3Sn trigonal pyramid. In the third N site, N(3) is bonded in a distorted see-saw-like geometry to two equivalent Ga(1), one Sn(1), and one Sn(2) atom. In the fourth N site, N(4) is bonded to one Ga(3), two equivalent Ga(2), and one Sn(3) atom to form distorted NGa3Sn trigonal pyramids that share  a cornercorner with one N(5)Ga2Sn2 tetrahedra, corners with two equivalent N(2)Ga2Sn2 tetrahedra, corners with two equivalent N(1)Ga3Sn trigonal pyramids,  an edgeedge with one N(2)Ga2Sn2 tetrahedra,  an edgeedge with one N(1)Ga3Sn trigonal pyramid, and  an edgeedge with one N(4)Ga3Sn trigonal pyramid. In the fifth N site, N(5) is bonded to one Ga(1), one Ga(3), and two equivalent Sn(2) atoms to form distorted NGa2Sn2 tetrahedra that share  a cornercorner with one N(2)Ga2Sn2 tetrahedra,  a cornercorner with one N(4)Ga3Sn trigonal pyramid, corners with two equivalent N(1)Ga3Sn trigonal pyramids, and  an edgeedge with one N(5)Ga2Sn2 tetrahedra.
Ga3Sn3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Ga sites. In the first Ga site, Ga(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 GaN4 tetrahedra. The Ga(1)-N(1) bond length is 1.97 Å. The Ga(1)-N(5) bond length is 1.98 Å. There is one shorter (1.98 Å) and one longer (2.03 Å) Ga(1)-N(3) bond length. In the second Ga site, Ga(2) is bonded in a distorted see-saw-like geometry to one N(1), one N(2), and two equivalent N(4) atoms. The Ga(2)-N(1) bond length is 1.95 Å. The Ga(2)-N(2) bond length is 2.09 Å. There is one shorter (2.00 Å) and one longer (2.02 Å) Ga(2)-N(4) bond length. In the third Ga site, Ga(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form corner-sharing GaN4 trigonal pyramids. The Ga(3)-N(1) bond length is 2.05 Å. The Ga(3)-N(2) bond length is 1.94 Å. The Ga(3)-N(4) bond length is 1.98 Å. The Ga(3)-N(5) bond length is 1.99 Å. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a water-like geometry to one N(2) and one N(3) atom. The Sn(1)-N(2) bond length is 2.17 Å. The Sn(1)-N(3) bond length is 2.27 Å. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one N(3) and two equivalent N(5) atoms. The Sn(2)-N(3) bond length is 2.28 Å. There is one shorter (2.20 Å) and one longer (2.25 Å) Sn(2)-N(5) bond length. In the third Sn site, Sn(3) is bonded in a 3-coordinate geometry to one N(1), one N(2), and one N(4) atom. The Sn(3)-N(1) bond length is 2.26 Å. The Sn(3)-N(2) bond length is 2.20 Å. The Sn(3)-N(4) bond length is 2.26 Å. There are five inequivalent N sites. In the first N site, N(1) is bonded to one Ga(1), one Ga(2), one Ga(3), and one Sn(3) atom to form distorted NGa3Sn trigonal pyramids that share  a cornercorner with one N(2)Ga2Sn2 tetrahedra, corners with two equivalent N(5)Ga2Sn2 tetrahedra, corners with two equivalent N(4)Ga3Sn trigonal pyramids,  an edgeedge with one N(2)Ga2Sn2 tetrahedra, and  an edgeedge with one N(4)Ga3Sn trigonal pyramid. In the second N site, N(2) is bonded to one Ga(2), one Ga(3), one Sn(1), and one Sn(3) atom to form NGa2Sn2 tetrahedra that share  a cornercorner with one N(5)Ga2Sn2 tetrahedra,  a cornercorner with one N(1)Ga3Sn trigonal pyramid, corners with two equivalent N(4)Ga3Sn trigonal pyramids,  an edgeedge with one N(1)Ga3Sn trigonal pyramid, and  an edgeedge with one N(4)Ga3Sn trigonal pyramid. In the third N site, N(3) is bonded in a distorted see-saw-like geometry to two equivalent Ga(1), one Sn(1), and one Sn(2) atom. In the fourth N site, N(4) is bonded to one Ga(3), two equivalent Ga(2), and one Sn(3) atom to form distorted NGa3Sn trigonal pyramids that share  a cornercorner with one N(5)Ga2Sn2 tetrahedra, corners with two equivalent N(2)Ga2Sn2 tetrahedra, corners with two equivalent N(1)Ga3Sn trigonal pyramids,  an edgeedge with one N(2)Ga2Sn2 tetrahedra,  an edgeedge with one N(1)Ga3Sn trigonal pyramid, and  an edgeedge with one N(4)Ga3Sn trigonal pyramid. In the fifth N site, N(5) is bonded to one Ga(1), one Ga(3), and two equivalent Sn(2) atoms to form distorted NGa2Sn2 tetrahedra that share  a cornercorner with one N(2)Ga2Sn2 tetrahedra,  a cornercorner with one N(4)Ga3Sn trigonal pyramid, corners with two equivalent N(1)Ga3Sn trigonal pyramids, and  an edgeedge with one N(5)Ga2Sn2 tetrahedra.