ZrO2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to three equivalent Zr(1) atoms. In the second O site, O(2) is bonded to four equivalent Zr(1) atoms to form a mixture of edge and corner-sharing OZr4 tetrahedra.
ZrO2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent O(2) atoms. There are two shorter (2.08 Å) and one longer (2.16 Å) Zr(1)-O(1) bond length. There are a spread of Zr(1)-O(2) bond distances ranging from 2.09-2.30 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to three equivalent Zr(1) atoms. In the second O site, O(2) is bonded to four equivalent Zr(1) atoms to form a mixture of edge and corner-sharing OZr4 tetrahedra.