Zr2ON2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to two equivalent N(1), three equivalent N(2), and three equivalent O(1) atoms. In the second Zr site, Zr(2) is bonded to two equivalent N(2), three equivalent N(1), and two equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing ZrN5O2 pentagonal bipyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Zr(1) and three equivalent Zr(2) atoms to form a mixture of corner and edge-sharing NZr5 square pyramids. In the second N site, N(2) is bonded to two equivalent Zr(2) and three equivalent Zr(1) atoms to form a mixture of corner and edge-sharing NZr5 square pyramids. O(1) is bonded in a 5-coordinate geometry to two equivalent Zr(2) and three equivalent Zr(1) atoms.
Zr2ON2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to two equivalent N(1), three equivalent N(2), and three equivalent O(1) atoms. Both Zr(1)-N(1) bond lengths are 2.35 Å. All Zr(1)-N(2) bond lengths are 2.27 Å. There are two shorter (2.29 Å) and one longer (2.78 Å) Zr(1)-O(1) bond length. In the second Zr site, Zr(2) is bonded to two equivalent N(2), three equivalent N(1), and two equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing ZrN5O2 pentagonal bipyramids. Both Zr(2)-N(2) bond lengths are 2.28 Å. There are two shorter (2.20 Å) and one longer (2.25 Å) Zr(2)-N(1) bond length. There is one shorter (2.29 Å) and one longer (2.31 Å) Zr(2)-O(1) bond length. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Zr(1) and three equivalent Zr(2) atoms to form a mixture of corner and edge-sharing NZr5 square pyramids. In the second N site, N(2) is bonded to two equivalent Zr(2) and three equivalent Zr(1) atoms to form a mixture of corner and edge-sharing NZr5 square pyramids. O(1) is bonded in a 5-coordinate geometry to two equivalent Zr(2) and three equivalent Zr(1) atoms.