In3Ga3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 4-coordinate geometry to one N(3), one N(4), and two equivalent N(2) atoms. In the second In site, In(2) is bonded in a distorted see-saw-like geometry to one N(1), one N(3), and two equivalent N(5) atoms. In the third In site, In(3) is bonded in a single-bond geometry to one N(2) atom. 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 distorted edge and corner-sharing GaN4 tetrahedra. In the second Ga site, Ga(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of distorted edge and corner-sharing GaN4 tetrahedra. 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 a mixture of distorted edge and corner-sharing GaN4 trigonal pyramids. There are five inequivalent N sites. In the first N site, N(1) is bonded in a distorted rectangular see-saw-like geometry to one In(2), one Ga(1), one Ga(2), and one Ga(3) atom. In the second N site, N(2) is bonded to one In(3), two equivalent In(1), one Ga(2), and one Ga(3) atom to form distorted NIn3Ga2 trigonal bipyramids that share  a cornercorner with one N(5)In2Ga2 trigonal pyramid, corners with two equivalent N(3)In2Ga2 trigonal pyramids, corners with three equivalent N(4)InGa3 trigonal pyramids,  an edgeedge with one N(2)In3Ga2 trigonal bipyramid, and  an edgeedge with one N(4)InGa3 trigonal pyramid. In the third N site, N(3) is bonded to one In(1), one In(2), and two equivalent Ga(1) atoms to form distorted NIn2Ga2 trigonal pyramids that share corners with two equivalent N(2)In3Ga2 trigonal bipyramids,  a cornercorner with one N(4)InGa3 trigonal pyramid, corners with four equivalent N(5)In2Ga2 trigonal pyramids, and  an edgeedge with one N(3)In2Ga2 trigonal pyramid. In the fourth N site, N(4) is bonded to one In(1), one Ga(3), and two equivalent Ga(2) atoms to form distorted NInGa3 trigonal pyramids that share corners with three equivalent N(2)In3Ga2 trigonal bipyramids,  a cornercorner with one N(3)In2Ga2 trigonal pyramid,  a cornercorner with one N(5)In2Ga2 trigonal pyramid,  an edgeedge with one N(2)In3Ga2 trigonal bipyramid, and  an edgeedge with one N(4)InGa3 trigonal pyramid. In the fifth N site, N(5) is bonded to two equivalent In(2), one Ga(1), and one Ga(3) atom to form distorted NIn2Ga2 trigonal pyramids that share  a cornercorner with one N(2)In3Ga2 trigonal bipyramid,  a cornercorner with one N(4)InGa3 trigonal pyramid, corners with four equivalent N(3)In2Ga2 trigonal pyramids, and  an edgeedge with one N(5)In2Ga2 trigonal pyramid.
In3Ga3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 4-coordinate geometry to one N(3), one N(4), and two equivalent N(2) atoms. The In(1)-N(3) bond length is 2.31 Å. The In(1)-N(4) bond length is 2.29 Å. There is one shorter (2.20 Å) and one longer (2.39 Å) In(1)-N(2) bond length. In the second In site, In(2) is bonded in a distorted see-saw-like geometry to one N(1), one N(3), and two equivalent N(5) atoms. The In(2)-N(1) bond length is 2.28 Å. The In(2)-N(3) bond length is 2.18 Å. There is one shorter (2.19 Å) and one longer (2.35 Å) In(2)-N(5) bond length. In the third In site, In(3) is bonded in a single-bond geometry to one N(2) atom. The In(3)-N(2) bond length is 2.48 Å. 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 distorted edge and corner-sharing GaN4 tetrahedra. The Ga(1)-N(1) bond length is 1.99 Å. The Ga(1)-N(5) bond length is 1.99 Å. There is one shorter (1.99 Å) and one longer (2.04 Å) Ga(1)-N(3) bond length. In the second Ga site, Ga(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of distorted edge and corner-sharing GaN4 tetrahedra. The Ga(2)-N(1) bond length is 1.96 Å. The Ga(2)-N(2) bond length is 2.01 Å. There is one shorter (1.99 Å) and one longer (2.00 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 a mixture of distorted edge and corner-sharing GaN4 trigonal pyramids. The Ga(3)-N(1) bond length is 2.01 Å. The Ga(3)-N(2) bond length is 2.12 Å. The Ga(3)-N(4) bond length is 1.97 Å. The Ga(3)-N(5) bond length is 1.96 Å. There are five inequivalent N sites. In the first N site, N(1) is bonded in a distorted rectangular see-saw-like geometry to one In(2), one Ga(1), one Ga(2), and one Ga(3) atom. In the second N site, N(2) is bonded to one In(3), two equivalent In(1), one Ga(2), and one Ga(3) atom to form distorted NIn3Ga2 trigonal bipyramids that share  a cornercorner with one N(5)In2Ga2 trigonal pyramid, corners with two equivalent N(3)In2Ga2 trigonal pyramids, corners with three equivalent N(4)InGa3 trigonal pyramids,  an edgeedge with one N(2)In3Ga2 trigonal bipyramid, and  an edgeedge with one N(4)InGa3 trigonal pyramid. In the third N site, N(3) is bonded to one In(1), one In(2), and two equivalent Ga(1) atoms to form distorted NIn2Ga2 trigonal pyramids that share corners with two equivalent N(2)In3Ga2 trigonal bipyramids,  a cornercorner with one N(4)InGa3 trigonal pyramid, corners with four equivalent N(5)In2Ga2 trigonal pyramids, and  an edgeedge with one N(3)In2Ga2 trigonal pyramid. In the fourth N site, N(4) is bonded to one In(1), one Ga(3), and two equivalent Ga(2) atoms to form distorted NInGa3 trigonal pyramids that share corners with three equivalent N(2)In3Ga2 trigonal bipyramids,  a cornercorner with one N(3)In2Ga2 trigonal pyramid,  a cornercorner with one N(5)In2Ga2 trigonal pyramid,  an edgeedge with one N(2)In3Ga2 trigonal bipyramid, and  an edgeedge with one N(4)InGa3 trigonal pyramid. In the fifth N site, N(5) is bonded to two equivalent In(2), one Ga(1), and one Ga(3) atom to form distorted NIn2Ga2 trigonal pyramids that share  a cornercorner with one N(2)In3Ga2 trigonal bipyramid,  a cornercorner with one N(4)InGa3 trigonal pyramid, corners with four equivalent N(3)In2Ga2 trigonal pyramids, and  an edgeedge with one N(5)In2Ga2 trigonal pyramid.