Ce7ZrO16 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Ce site, Ce(2) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. In the third Ce site, Ce(3) is bonded in a body-centered cubic geometry to eight 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 one Ce(2), two equivalent Ce(1), and one Zr(1) atom to form OCe3Zr tetrahedra that share corners with eight equivalent O(1)Ce3Zr tetrahedra, corners with eight equivalent O(2)Ce4 tetrahedra, edges with two equivalent O(2)Ce4 tetrahedra, and edges with four equivalent O(1)Ce3Zr tetrahedra. In the second O site, O(2) is bonded to one Ce(2), one Ce(3), and two equivalent Ce(1) atoms to form OCe4 tetrahedra that share corners with eight equivalent O(1)Ce3Zr tetrahedra, corners with eight equivalent O(2)Ce4 tetrahedra, edges with two equivalent O(1)Ce3Zr tetrahedra, and edges with four equivalent O(2)Ce4 tetrahedra.
Ce7ZrO16 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Ce sites. In the first Ce site, 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 2.37 Å. In the second Ce site, Ce(2) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. All Ce(2)-O(1) bond lengths are 2.38 Å. All Ce(2)-O(2) bond lengths are 2.34 Å. In the third Ce site, Ce(3) is bonded in a body-centered cubic geometry to eight equivalent O(2) atoms. All Ce(3)-O(2) bond lengths are 2.37 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 2.28 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ce(2), two equivalent Ce(1), and one Zr(1) atom to form OCe3Zr tetrahedra that share corners with eight equivalent O(1)Ce3Zr tetrahedra, corners with eight equivalent O(2)Ce4 tetrahedra, edges with two equivalent O(2)Ce4 tetrahedra, and edges with four equivalent O(1)Ce3Zr tetrahedra. In the second O site, O(2) is bonded to one Ce(2), one Ce(3), and two equivalent Ce(1) atoms to form OCe4 tetrahedra that share corners with eight equivalent O(1)Ce3Zr tetrahedra, corners with eight equivalent O(2)Ce4 tetrahedra, edges with two equivalent O(1)Ce3Zr tetrahedra, and edges with four equivalent O(2)Ce4 tetrahedra.