Zr2ON2 crystallizes in the monoclinic C2/m space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one N(1), two equivalent O(2), and three equivalent O(1) atoms to form ZrNO5 octahedra that share  a cornercorner with one Zr(2)N6 octahedra, edges with two equivalent Zr(4)N5O octahedra, and edges with four equivalent Zr(1)NO5 octahedra. The corner-sharing octahedral tilt angles are 24°. In the second Zr site, Zr(2) is bonded to one N(1), one N(2), two equivalent N(3), and two equivalent N(4) atoms to form ZrN6 octahedra that share  a cornercorner with one Zr(1)NO5 octahedra, corners with two equivalent Zr(4)N5O octahedra, corners with three equivalent Zr(3)N6 octahedra, edges with two equivalent Zr(2)N6 octahedra, edges with three equivalent Zr(4)N5O octahedra, and edges with three equivalent Zr(3)N6 octahedra. The corner-sharing octahedral tilt angles range from 7-26°. In the third Zr site, Zr(3) is bonded to one N(3), two equivalent N(4), and three equivalent N(2) atoms to form ZrN6 octahedra that share corners with three equivalent Zr(2)N6 octahedra, edges with two equivalent Zr(4)N5O octahedra, edges with three equivalent Zr(2)N6 octahedra, and edges with four equivalent Zr(3)N6 octahedra. The corner-sharing octahedral tilt angles range from 7-26°. In the fourth Zr site, Zr(4) is bonded to one N(4), two equivalent N(1), two equivalent N(3), and one O(2) atom to form ZrN5O octahedra that share corners with two equivalent Zr(2)N6 octahedra, edges with two equivalent Zr(4)N5O octahedra, edges with two equivalent Zr(3)N6 octahedra, edges with two equivalent Zr(1)NO5 octahedra, and edges with three equivalent Zr(2)N6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Zr(1), one Zr(2), and two equivalent Zr(4) atoms to form NZr4 trigonal pyramids that share corners with four equivalent N(3)Zr5 square pyramids,  a cornercorner with one N(2)Zr4 trigonal pyramid, corners with two equivalent N(1)Zr4 trigonal pyramids,  an edgeedge with one N(3)Zr5 square pyramid, and edges with two equivalent N(4)Zr5 square pyramids. In the second N site, N(2) is bonded to one Zr(2) and three equivalent Zr(3) atoms to form NZr4 trigonal pyramids that share  a cornercorner with one N(3)Zr5 square pyramid, corners with six equivalent N(4)Zr5 square pyramids,  a cornercorner with one N(1)Zr4 trigonal pyramid, corners with two equivalent N(2)Zr4 trigonal pyramids,  an edgeedge with one N(4)Zr5 square pyramid, edges with two equivalent N(3)Zr5 square pyramids, and edges with two equivalent N(2)Zr4 trigonal pyramids. In the third N site, N(3) is bonded to one Zr(3), two equivalent Zr(2), and two equivalent Zr(4) atoms to form NZr5 square pyramids that share corners with two equivalent N(4)Zr5 square pyramids,  a cornercorner with one N(2)Zr4 trigonal pyramid, corners with four equivalent N(1)Zr4 trigonal pyramids, edges with two equivalent N(3)Zr5 square pyramids, edges with three equivalent N(4)Zr5 square pyramids,  an edgeedge with one N(1)Zr4 trigonal pyramid, and edges with two equivalent N(2)Zr4 trigonal pyramids. In the fourth N site, N(4) is bonded to one Zr(4), two equivalent Zr(2), and two equivalent Zr(3) atoms to form NZr5 square pyramids that share corners with two equivalent N(3)Zr5 square pyramids, corners with six equivalent N(2)Zr4 trigonal pyramids, edges with two equivalent N(4)Zr5 square pyramids, edges with three equivalent N(3)Zr5 square pyramids,  an edgeedge with one N(2)Zr4 trigonal pyramid, and edges with two equivalent N(1)Zr4 trigonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to three equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Zr(4) and two equivalent Zr(1) atoms.
Zr2ON2 crystallizes in the monoclinic C2/m space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one N(1), two equivalent O(2), and three equivalent O(1) atoms to form ZrNO5 octahedra that share  a cornercorner with one Zr(2)N6 octahedra, edges with two equivalent Zr(4)N5O octahedra, and edges with four equivalent Zr(1)NO5 octahedra. The corner-sharing octahedral tilt angles are 24°. The Zr(1)-N(1) bond length is 2.21 Å. Both Zr(1)-O(2) bond lengths are 2.16 Å. There are two shorter (2.11 Å) and one longer (2.19 Å) Zr(1)-O(1) bond length. In the second Zr site, Zr(2) is bonded to one N(1), one N(2), two equivalent N(3), and two equivalent N(4) atoms to form ZrN6 octahedra that share  a cornercorner with one Zr(1)NO5 octahedra, corners with two equivalent Zr(4)N5O octahedra, corners with three equivalent Zr(3)N6 octahedra, edges with two equivalent Zr(2)N6 octahedra, edges with three equivalent Zr(4)N5O octahedra, and edges with three equivalent Zr(3)N6 octahedra. The corner-sharing octahedral tilt angles range from 7-26°. The Zr(2)-N(1) bond length is 2.21 Å. The Zr(2)-N(2) bond length is 2.21 Å. Both Zr(2)-N(3) bond lengths are 2.27 Å. Both Zr(2)-N(4) bond lengths are 2.28 Å. In the third Zr site, Zr(3) is bonded to one N(3), two equivalent N(4), and three equivalent N(2) atoms to form ZrN6 octahedra that share corners with three equivalent Zr(2)N6 octahedra, edges with two equivalent Zr(4)N5O octahedra, edges with three equivalent Zr(2)N6 octahedra, and edges with four equivalent Zr(3)N6 octahedra. The corner-sharing octahedral tilt angles range from 7-26°. The Zr(3)-N(3) bond length is 2.36 Å. Both Zr(3)-N(4) bond lengths are 2.35 Å. There is one shorter (2.14 Å) and two longer (2.17 Å) Zr(3)-N(2) bond lengths. In the fourth Zr site, Zr(4) is bonded to one N(4), two equivalent N(1), two equivalent N(3), and one O(2) atom to form ZrN5O octahedra that share corners with two equivalent Zr(2)N6 octahedra, edges with two equivalent Zr(4)N5O octahedra, edges with two equivalent Zr(3)N6 octahedra, edges with two equivalent Zr(1)NO5 octahedra, and edges with three equivalent Zr(2)N6 octahedra. The corner-sharing octahedral tilt angles are 7°. The Zr(4)-N(4) bond length is 2.32 Å. Both Zr(4)-N(1) bond lengths are 2.16 Å. Both Zr(4)-N(3) bond lengths are 2.34 Å. The Zr(4)-O(2) bond length is 2.08 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Zr(1), one Zr(2), and two equivalent Zr(4) atoms to form NZr4 trigonal pyramids that share corners with four equivalent N(3)Zr5 square pyramids,  a cornercorner with one N(2)Zr4 trigonal pyramid, corners with two equivalent N(1)Zr4 trigonal pyramids,  an edgeedge with one N(3)Zr5 square pyramid, and edges with two equivalent N(4)Zr5 square pyramids. In the second N site, N(2) is bonded to one Zr(2) and three equivalent Zr(3) atoms to form NZr4 trigonal pyramids that share  a cornercorner with one N(3)Zr5 square pyramid, corners with six equivalent N(4)Zr5 square pyramids,  a cornercorner with one N(1)Zr4 trigonal pyramid, corners with two equivalent N(2)Zr4 trigonal pyramids,  an edgeedge with one N(4)Zr5 square pyramid, edges with two equivalent N(3)Zr5 square pyramids, and edges with two equivalent N(2)Zr4 trigonal pyramids. In the third N site, N(3) is bonded to one Zr(3), two equivalent Zr(2), and two equivalent Zr(4) atoms to form NZr5 square pyramids that share corners with two equivalent N(4)Zr5 square pyramids,  a cornercorner with one N(2)Zr4 trigonal pyramid, corners with four equivalent N(1)Zr4 trigonal pyramids, edges with two equivalent N(3)Zr5 square pyramids, edges with three equivalent N(4)Zr5 square pyramids,  an edgeedge with one N(1)Zr4 trigonal pyramid, and edges with two equivalent N(2)Zr4 trigonal pyramids. In the fourth N site, N(4) is bonded to one Zr(4), two equivalent Zr(2), and two equivalent Zr(3) atoms to form NZr5 square pyramids that share corners with two equivalent N(3)Zr5 square pyramids, corners with six equivalent N(2)Zr4 trigonal pyramids, edges with two equivalent N(4)Zr5 square pyramids, edges with three equivalent N(3)Zr5 square pyramids,  an edgeedge with one N(2)Zr4 trigonal pyramid, and edges with two equivalent N(1)Zr4 trigonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to three equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Zr(4) and two equivalent Zr(1) atoms.