Zr7N4O8 crystallizes in the triclinic P-1 space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one N(2), two equivalent N(1), one O(1), one O(4), and two equivalent O(2) atoms to form distorted ZrN3O4 pentagonal bipyramids that share  a cornercorner with one Zr(2)N2O4 octahedra,  an edgeedge with one Zr(2)N2O4 octahedra, and edges with two equivalent Zr(1)N3O4 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 50°. In the second Zr site, Zr(2) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing ZrN2O4 octahedra. In the third Zr site, Zr(3) is bonded in a 6-coordinate geometry to one N(1), one N(2), one O(2), one O(3), and two equivalent O(4) atoms. In the fourth Zr site, Zr(4) is bonded in a 7-coordinate geometry to two equivalent N(2), one O(2), one O(3), one O(4), and two equivalent O(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Zr(2), one Zr(3), and two equivalent Zr(1) atoms to form NZr4 tetrahedra that share  a cornercorner with one N(1)Zr4 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with three equivalent N(2)Zr4 tetrahedra, corners with three equivalent O(2)Zr4 tetrahedra,  an edgeedge with one N(1)Zr4 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and  an edgeedge with one O(4)Zr4 tetrahedra. In the second N site, N(2) is bonded to one Zr(1), one Zr(3), and two equivalent Zr(4) atoms to form NZr4 tetrahedra that share corners with three equivalent N(1)Zr4 tetrahedra, corners with three equivalent O(2)Zr4 tetrahedra, corners with three equivalent O(4)Zr4 tetrahedra,  an edgeedge with one N(2)Zr4 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and  an edgeedge with one O(4)Zr4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(2), and two equivalent Zr(4) atoms. In the second O site, O(2) is bonded to one Zr(3), one Zr(4), and two equivalent Zr(1) atoms to form distorted OZr4 tetrahedra that share corners with three equivalent N(1)Zr4 tetrahedra, corners with three equivalent N(2)Zr4 tetrahedra, corners with three equivalent O(4)Zr4 tetrahedra,  an edgeedge with one N(1)Zr4 tetrahedra,  an edgeedge with one N(2)Zr4 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and  an edgeedge with one O(4)Zr4 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Zr(2), one Zr(3), and one Zr(4) atom. In the fourth O site, O(4) is bonded to one Zr(1), one Zr(4), and two equivalent Zr(3) atoms to form distorted OZr4 tetrahedra that share corners with two equivalent N(1)Zr4 tetrahedra, corners with three equivalent N(2)Zr4 tetrahedra, corners with three equivalent O(2)Zr4 tetrahedra,  an edgeedge with one N(1)Zr4 tetrahedra,  an edgeedge with one N(2)Zr4 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and  an edgeedge with one O(4)Zr4 tetrahedra.
Zr7N4O8 crystallizes in the triclinic P-1 space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one N(2), two equivalent N(1), one O(1), one O(4), and two equivalent O(2) atoms to form distorted ZrN3O4 pentagonal bipyramids that share  a cornercorner with one Zr(2)N2O4 octahedra,  an edgeedge with one Zr(2)N2O4 octahedra, and edges with two equivalent Zr(1)N3O4 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 50°. The Zr(1)-N(2) bond length is 2.31 Å. There is one shorter (2.20 Å) and one longer (2.26 Å) Zr(1)-N(1) bond length. The Zr(1)-O(1) bond length is 2.21 Å. The Zr(1)-O(4) bond length is 2.14 Å. There is one shorter (2.18 Å) and one longer (2.51 Å) Zr(1)-O(2) bond length. In the second Zr site, Zr(2) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing ZrN2O4 octahedra. Both Zr(2)-N(1) bond lengths are 2.18 Å. Both Zr(2)-O(1) bond lengths are 2.09 Å. Both Zr(2)-O(3) bond lengths are 2.16 Å. In the third Zr site, Zr(3) is bonded in a 6-coordinate geometry to one N(1), one N(2), one O(2), one O(3), and two equivalent O(4) atoms. The Zr(3)-N(1) bond length is 2.12 Å. The Zr(3)-N(2) bond length is 2.08 Å. The Zr(3)-O(2) bond length is 2.25 Å. The Zr(3)-O(3) bond length is 2.16 Å. There is one shorter (2.15 Å) and one longer (2.36 Å) Zr(3)-O(4) bond length. In the fourth Zr site, Zr(4) is bonded in a 7-coordinate geometry to two equivalent N(2), one O(2), one O(3), one O(4), and two equivalent O(1) atoms. There is one shorter (2.14 Å) and one longer (2.19 Å) Zr(4)-N(2) bond length. The Zr(4)-O(2) bond length is 2.19 Å. The Zr(4)-O(3) bond length is 2.15 Å. The Zr(4)-O(4) bond length is 2.29 Å. There is one shorter (2.14 Å) and one longer (2.65 Å) Zr(4)-O(1) bond length. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Zr(2), one Zr(3), and two equivalent Zr(1) atoms to form NZr4 tetrahedra that share  a cornercorner with one N(1)Zr4 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with three equivalent N(2)Zr4 tetrahedra, corners with three equivalent O(2)Zr4 tetrahedra,  an edgeedge with one N(1)Zr4 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and  an edgeedge with one O(4)Zr4 tetrahedra. In the second N site, N(2) is bonded to one Zr(1), one Zr(3), and two equivalent Zr(4) atoms to form NZr4 tetrahedra that share corners with three equivalent N(1)Zr4 tetrahedra, corners with three equivalent O(2)Zr4 tetrahedra, corners with three equivalent O(4)Zr4 tetrahedra,  an edgeedge with one N(2)Zr4 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and  an edgeedge with one O(4)Zr4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(2), and two equivalent Zr(4) atoms. In the second O site, O(2) is bonded to one Zr(3), one Zr(4), and two equivalent Zr(1) atoms to form distorted OZr4 tetrahedra that share corners with three equivalent N(1)Zr4 tetrahedra, corners with three equivalent N(2)Zr4 tetrahedra, corners with three equivalent O(4)Zr4 tetrahedra,  an edgeedge with one N(1)Zr4 tetrahedra,  an edgeedge with one N(2)Zr4 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and  an edgeedge with one O(4)Zr4 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Zr(2), one Zr(3), and one Zr(4) atom. In the fourth O site, O(4) is bonded to one Zr(1), one Zr(4), and two equivalent Zr(3) atoms to form distorted OZr4 tetrahedra that share corners with two equivalent N(1)Zr4 tetrahedra, corners with three equivalent N(2)Zr4 tetrahedra, corners with three equivalent O(2)Zr4 tetrahedra,  an edgeedge with one N(1)Zr4 tetrahedra,  an edgeedge with one N(2)Zr4 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and  an edgeedge with one O(4)Zr4 tetrahedra.