Ce2ZrO6 is Fluorite-derived structured and crystallizes in the tetragonal I4/mmm space group. Ce(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Zr(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ce(1) and two equivalent Zr(1) atoms to form OCe2Zr2 tetrahedra that share corners with six equivalent O(2)Ce4 tetrahedra, corners with ten equivalent O(1)Ce2Zr2 tetrahedra,  an edgeedge with one O(2)Ce4 tetrahedra, and edges with five equivalent O(1)Ce2Zr2 tetrahedra. In the second O site, O(2) is bonded to four equivalent Ce(1) atoms to form OCe4 tetrahedra that share corners with four equivalent O(2)Ce4 tetrahedra, corners with twelve equivalent O(1)Ce2Zr2 tetrahedra, edges with two equivalent O(1)Ce2Zr2 tetrahedra, and edges with four equivalent O(2)Ce4 tetrahedra.
Ce2ZrO6 is Fluorite-derived structured and crystallizes in the tetragonal I4/mmm space group. Ce(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. All Ce(1)-O(1) bond lengths are 2.35 Å. All Ce(1)-O(2) bond lengths are 2.34 Å. Zr(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Zr(1)-O(1) bond lengths are 2.27 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ce(1) and two equivalent Zr(1) atoms to form OCe2Zr2 tetrahedra that share corners with six equivalent O(2)Ce4 tetrahedra, corners with ten equivalent O(1)Ce2Zr2 tetrahedra,  an edgeedge with one O(2)Ce4 tetrahedra, and edges with five equivalent O(1)Ce2Zr2 tetrahedra. In the second O site, O(2) is bonded to four equivalent Ce(1) atoms to form OCe4 tetrahedra that share corners with four equivalent O(2)Ce4 tetrahedra, corners with twelve equivalent O(1)Ce2Zr2 tetrahedra, edges with two equivalent O(1)Ce2Zr2 tetrahedra, and edges with four equivalent O(2)Ce4 tetrahedra.