Zr2ON2 is Ilmenite-like structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one N(1), three equivalent N(3), one O(1), and one O(2) atom to form a mixture of distorted face, corner, and edge-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. In the second Zr site, Zr(2) is bonded to one N(2), one N(3), two equivalent N(4), and two equivalent O(1) atoms to form a mixture of distorted face, corner, and edge-sharing ZrN4O2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 47-64°. In the third Zr site, Zr(3) is bonded to one N(1), three equivalent N(2), one O(1), and one O(2) atom to form a mixture of distorted face, corner, and edge-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. There are four inequivalent N sites. In the first N site, N(4) is bonded to four equivalent Zr(2) atoms to form distorted NZr4 trigonal pyramids that share corners with four equivalent N(2)Zr4 trigonal pyramids, corners with four equivalent N(3)Zr4 trigonal pyramids, corners with four equivalent O(1)Zr4 trigonal pyramids, edges with two equivalent N(4)Zr4 trigonal pyramids, and edges with two equivalent O(1)Zr4 trigonal pyramids. In the second N site, N(1) is bonded to two equivalent Zr(1) and two equivalent Zr(3) atoms to form distorted NZr4 trigonal pyramids that share corners with two equivalent N(3)Zr4 trigonal pyramids, corners with four equivalent O(1)Zr4 trigonal pyramids, corners with six equivalent N(2)Zr4 trigonal pyramids, edges with two equivalent N(3)Zr4 trigonal pyramids, and edges with two equivalent O(2)Zr4 trigonal pyramids. In the third N site, N(2) is bonded to one Zr(2) and three equivalent Zr(3) atoms to form distorted NZr4 trigonal pyramids that share  a cornercorner with one N(3)Zr4 trigonal pyramid,  a cornercorner with one O(2)Zr4 trigonal pyramid, corners with two equivalent N(2)Zr4 trigonal pyramids, corners with two equivalent N(4)Zr4 trigonal pyramids, corners with three equivalent N(1)Zr4 trigonal pyramids, corners with three equivalent O(1)Zr4 trigonal pyramids,  an edgeedge with one O(1)Zr4 trigonal pyramid,  an edgeedge with one O(2)Zr4 trigonal pyramid, and edges with two equivalent N(2)Zr4 trigonal pyramids. In the fourth N site, N(3) is bonded to one Zr(2) and three equivalent Zr(1) atoms to form distorted NZr4 trigonal pyramids that share  a cornercorner with one N(1)Zr4 trigonal pyramid,  a cornercorner with one N(2)Zr4 trigonal pyramid, corners with two equivalent N(3)Zr4 trigonal pyramids, corners with two equivalent N(4)Zr4 trigonal pyramids, corners with three equivalent O(1)Zr4 trigonal pyramids, corners with three equivalent O(2)Zr4 trigonal pyramids,  an edgeedge with one N(1)Zr4 trigonal pyramid,  an edgeedge with one O(1)Zr4 trigonal pyramid, and edges with two equivalent N(3)Zr4 trigonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Zr(1), one Zr(3), and two equivalent Zr(2) atoms to form distorted OZr4 trigonal pyramids that share corners with two equivalent N(1)Zr4 trigonal pyramids, corners with two equivalent N(4)Zr4 trigonal pyramids, corners with two equivalent O(2)Zr4 trigonal pyramids, corners with three equivalent N(2)Zr4 trigonal pyramids, corners with three equivalent N(3)Zr4 trigonal pyramids,  an edgeedge with one N(2)Zr4 trigonal pyramid,  an edgeedge with one N(3)Zr4 trigonal pyramid,  an edgeedge with one N(4)Zr4 trigonal pyramid, and  an edgeedge with one O(1)Zr4 trigonal pyramid. In the second O site, O(2) is bonded to two equivalent Zr(1) and two equivalent Zr(3) atoms to form distorted OZr4 trigonal pyramids that share corners with two equivalent N(2)Zr4 trigonal pyramids, corners with four equivalent O(1)Zr4 trigonal pyramids, corners with six equivalent N(3)Zr4 trigonal pyramids, edges with two equivalent N(1)Zr4 trigonal pyramids, and edges with two equivalent N(2)Zr4 trigonal pyramids.
Zr2ON2 is Ilmenite-like structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one N(1), three equivalent N(3), one O(1), and one O(2) atom to form a mixture of distorted face, corner, and edge-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. The Zr(1)-N(1) bond length is 2.28 Å. There are a spread of Zr(1)-N(3) bond distances ranging from 2.13-2.26 Å. The Zr(1)-O(1) bond length is 2.18 Å. The Zr(1)-O(2) bond length is 2.17 Å. In the second Zr site, Zr(2) is bonded to one N(2), one N(3), two equivalent N(4), and two equivalent O(1) atoms to form a mixture of distorted face, corner, and edge-sharing ZrN4O2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 47-64°. The Zr(2)-N(2) bond length is 2.14 Å. The Zr(2)-N(3) bond length is 2.12 Å. There is one shorter (2.11 Å) and one longer (2.30 Å) Zr(2)-N(4) bond length. There is one shorter (2.36 Å) and one longer (2.37 Å) Zr(2)-O(1) bond length. In the third Zr site, Zr(3) is bonded to one N(1), three equivalent N(2), one O(1), and one O(2) atom to form a mixture of distorted face, corner, and edge-sharing ZrN4O2 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. The Zr(3)-N(1) bond length is 2.14 Å. There are a spread of Zr(3)-N(2) bond distances ranging from 2.13-2.32 Å. The Zr(3)-O(1) bond length is 2.13 Å. The Zr(3)-O(2) bond length is 2.33 Å. There are four inequivalent N sites. In the first N site, N(4) is bonded to four equivalent Zr(2) atoms to form distorted NZr4 trigonal pyramids that share corners with four equivalent N(2)Zr4 trigonal pyramids, corners with four equivalent N(3)Zr4 trigonal pyramids, corners with four equivalent O(1)Zr4 trigonal pyramids, edges with two equivalent N(4)Zr4 trigonal pyramids, and edges with two equivalent O(1)Zr4 trigonal pyramids. In the second N site, N(1) is bonded to two equivalent Zr(1) and two equivalent Zr(3) atoms to form distorted NZr4 trigonal pyramids that share corners with two equivalent N(3)Zr4 trigonal pyramids, corners with four equivalent O(1)Zr4 trigonal pyramids, corners with six equivalent N(2)Zr4 trigonal pyramids, edges with two equivalent N(3)Zr4 trigonal pyramids, and edges with two equivalent O(2)Zr4 trigonal pyramids. In the third N site, N(2) is bonded to one Zr(2) and three equivalent Zr(3) atoms to form distorted NZr4 trigonal pyramids that share  a cornercorner with one N(3)Zr4 trigonal pyramid,  a cornercorner with one O(2)Zr4 trigonal pyramid, corners with two equivalent N(2)Zr4 trigonal pyramids, corners with two equivalent N(4)Zr4 trigonal pyramids, corners with three equivalent N(1)Zr4 trigonal pyramids, corners with three equivalent O(1)Zr4 trigonal pyramids,  an edgeedge with one O(1)Zr4 trigonal pyramid,  an edgeedge with one O(2)Zr4 trigonal pyramid, and edges with two equivalent N(2)Zr4 trigonal pyramids. In the fourth N site, N(3) is bonded to one Zr(2) and three equivalent Zr(1) atoms to form distorted NZr4 trigonal pyramids that share  a cornercorner with one N(1)Zr4 trigonal pyramid,  a cornercorner with one N(2)Zr4 trigonal pyramid, corners with two equivalent N(3)Zr4 trigonal pyramids, corners with two equivalent N(4)Zr4 trigonal pyramids, corners with three equivalent O(1)Zr4 trigonal pyramids, corners with three equivalent O(2)Zr4 trigonal pyramids,  an edgeedge with one N(1)Zr4 trigonal pyramid,  an edgeedge with one O(1)Zr4 trigonal pyramid, and edges with two equivalent N(3)Zr4 trigonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Zr(1), one Zr(3), and two equivalent Zr(2) atoms to form distorted OZr4 trigonal pyramids that share corners with two equivalent N(1)Zr4 trigonal pyramids, corners with two equivalent N(4)Zr4 trigonal pyramids, corners with two equivalent O(2)Zr4 trigonal pyramids, corners with three equivalent N(2)Zr4 trigonal pyramids, corners with three equivalent N(3)Zr4 trigonal pyramids,  an edgeedge with one N(2)Zr4 trigonal pyramid,  an edgeedge with one N(3)Zr4 trigonal pyramid,  an edgeedge with one N(4)Zr4 trigonal pyramid, and  an edgeedge with one O(1)Zr4 trigonal pyramid. In the second O site, O(2) is bonded to two equivalent Zr(1) and two equivalent Zr(3) atoms to form distorted OZr4 trigonal pyramids that share corners with two equivalent N(2)Zr4 trigonal pyramids, corners with four equivalent O(1)Zr4 trigonal pyramids, corners with six equivalent N(3)Zr4 trigonal pyramids, edges with two equivalent N(1)Zr4 trigonal pyramids, and edges with two equivalent N(2)Zr4 trigonal pyramids.