Ce4ZrO10 is Fluorite-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a body-centered cubic geometry to one O(2), one O(4), three equivalent O(1), and three equivalent O(5) atoms. In the second Ce site, Ce(2) is bonded in a body-centered cubic geometry to one O(5), three equivalent O(2), and four equivalent O(3) atoms. Zr(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Ce(1) and one Zr(1) atom to form OCe3Zr tetrahedra that share corners with three equivalent O(2)Ce4 tetrahedra, corners with three equivalent O(5)Ce4 tetrahedra, corners with three equivalent O(4)CeZr3 tetrahedra, corners with seven equivalent O(1)Ce3Zr tetrahedra, edges with three equivalent O(5)Ce4 tetrahedra, and edges with three equivalent O(4)CeZr3 tetrahedra. In the second O site, O(2) is bonded to one Ce(1) and three equivalent Ce(2) atoms to form OCe4 tetrahedra that share  a cornercorner with one O(4)CeZr3 tetrahedra, corners with three equivalent O(1)Ce3Zr tetrahedra, corners with six equivalent O(2)Ce4 tetrahedra, corners with six equivalent O(3)Ce4 tetrahedra, edges with three equivalent O(3)Ce4 tetrahedra, and edges with three equivalent O(5)Ce4 tetrahedra. In the third O site, O(3) is bonded to four equivalent Ce(2) atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra. In the fourth O site, O(4) is bonded to one Ce(1) and three equivalent Zr(1) atoms to form OCeZr3 tetrahedra that share  a cornercorner with one O(2)Ce4 tetrahedra, corners with three equivalent O(1)Ce3Zr tetrahedra, corners with three equivalent O(5)Ce4 tetrahedra, corners with nine equivalent O(4)CeZr3 tetrahedra, edges with three equivalent O(1)Ce3Zr tetrahedra, and edges with three equivalent O(4)CeZr3 tetrahedra. In the fifth O site, O(5) is bonded to one Ce(2) and three equivalent Ce(1) atoms to form OCe4 tetrahedra that share corners with three equivalent O(1)Ce3Zr tetrahedra, corners with three equivalent O(4)CeZr3 tetrahedra, corners with four equivalent O(3)Ce4 tetrahedra, corners with six equivalent O(5)Ce4 tetrahedra, edges with three equivalent O(1)Ce3Zr tetrahedra, and edges with three equivalent O(2)Ce4 tetrahedra.
Ce4ZrO10 is Fluorite-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a body-centered cubic geometry to one O(2), one O(4), three equivalent O(1), and three equivalent O(5) atoms. The Ce(1)-O(2) bond length is 2.40 Å. The Ce(1)-O(4) bond length is 2.33 Å. All Ce(1)-O(1) bond lengths are 2.36 Å. All Ce(1)-O(5) bond lengths are 2.35 Å. In the second Ce site, Ce(2) is bonded in a body-centered cubic geometry to one O(5), three equivalent O(2), and four equivalent O(3) atoms. The Ce(2)-O(5) bond length is 2.40 Å. All Ce(2)-O(2) bond lengths are 2.35 Å. There are three shorter (2.36 Å) and one longer (2.38 Å) Ce(2)-O(3) bond length. Zr(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(4) atoms. Both Zr(1)-O(1) bond lengths are 2.17 Å. All Zr(1)-O(4) bond lengths are 2.31 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Ce(1) and one Zr(1) atom to form OCe3Zr tetrahedra that share corners with three equivalent O(2)Ce4 tetrahedra, corners with three equivalent O(5)Ce4 tetrahedra, corners with three equivalent O(4)CeZr3 tetrahedra, corners with seven equivalent O(1)Ce3Zr tetrahedra, edges with three equivalent O(5)Ce4 tetrahedra, and edges with three equivalent O(4)CeZr3 tetrahedra. In the second O site, O(2) is bonded to one Ce(1) and three equivalent Ce(2) atoms to form OCe4 tetrahedra that share  a cornercorner with one O(4)CeZr3 tetrahedra, corners with three equivalent O(1)Ce3Zr tetrahedra, corners with six equivalent O(2)Ce4 tetrahedra, corners with six equivalent O(3)Ce4 tetrahedra, edges with three equivalent O(3)Ce4 tetrahedra, and edges with three equivalent O(5)Ce4 tetrahedra. In the third O site, O(3) is bonded to four equivalent Ce(2) atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra. In the fourth O site, O(4) is bonded to one Ce(1) and three equivalent Zr(1) atoms to form OCeZr3 tetrahedra that share  a cornercorner with one O(2)Ce4 tetrahedra, corners with three equivalent O(1)Ce3Zr tetrahedra, corners with three equivalent O(5)Ce4 tetrahedra, corners with nine equivalent O(4)CeZr3 tetrahedra, edges with three equivalent O(1)Ce3Zr tetrahedra, and edges with three equivalent O(4)CeZr3 tetrahedra. In the fifth O site, O(5) is bonded to one Ce(2) and three equivalent Ce(1) atoms to form OCe4 tetrahedra that share corners with three equivalent O(1)Ce3Zr tetrahedra, corners with three equivalent O(4)CeZr3 tetrahedra, corners with four equivalent O(3)Ce4 tetrahedra, corners with six equivalent O(5)Ce4 tetrahedra, edges with three equivalent O(1)Ce3Zr tetrahedra, and edges with three equivalent O(2)Ce4 tetrahedra.