SrZrO3 crystallizes in the tetragonal I4/mcm space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Zr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 0-26°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Zr(1) atoms to form a mixture of distorted corner and edge-sharing OSr4Zr2 octahedra. The corner-sharing octahedra are not tilted.
SrZrO3 crystallizes in the tetragonal I4/mcm space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. All Sr(1)-O(1) bond lengths are 2.61 Å. All Sr(1)-O(2) bond lengths are 2.88 Å. Zr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 0-26°. Both Zr(1)-O(2) bond lengths are 2.09 Å. All Zr(1)-O(1) bond lengths are 2.09 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Zr(1) atoms to form a mixture of distorted corner and edge-sharing OSr4Zr2 octahedra. The corner-sharing octahedra are not tilted.