CeZr3O8 crystallizes in the orthorhombic Amm2 space group. Ce(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. In the second Zr site, Zr(2) is bonded in a distorted body-centered cubic geometry to one O(1), one O(2), one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ce(1) and two equivalent Zr(2) atoms to form OCe2Zr2 tetrahedra that share corners with two equivalent O(1)Ce2Zr2 tetrahedra, corners with two equivalent O(2)Zr4 tetrahedra, corners with four equivalent O(5)Ce2Zr2 tetrahedra, corners with eight equivalent O(4)CeZr3 tetrahedra,  an edgeedge with one O(5)Ce2Zr2 tetrahedra,  an edgeedge with one O(6)Zr4 tetrahedra, and edges with four equivalent O(3)CeZr3 tetrahedra. In the second O site, O(2) is bonded to two equivalent Zr(1) and two equivalent Zr(2) atoms to form distorted OZr4 tetrahedra that share corners with two equivalent O(1)Ce2Zr2 tetrahedra, corners with two equivalent O(2)Zr4 tetrahedra, corners with four equivalent O(6)Zr4 tetrahedra, corners with eight equivalent O(4)CeZr3 tetrahedra,  an edgeedge with one O(5)Ce2Zr2 tetrahedra,  an edgeedge with one O(6)Zr4 tetrahedra, and edges with four equivalent O(3)CeZr3 tetrahedra. In the third O site, O(3) is bonded to one Ce(1), one Zr(1), and two equivalent Zr(2) atoms to form distorted OCeZr3 tetrahedra that share corners with four equivalent O(5)Ce2Zr2 tetrahedra, corners with four equivalent O(3)CeZr3 tetrahedra, corners with four equivalent O(4)CeZr3 tetrahedra, corners with four equivalent O(6)Zr4 tetrahedra, edges with two equivalent O(1)Ce2Zr2 tetrahedra, edges with two equivalent O(4)CeZr3 tetrahedra, and edges with two equivalent O(2)Zr4 tetrahedra. In the fourth O site, O(4) is bonded to one Ce(1), one Zr(1), and two equivalent Zr(2) atoms to form OCeZr3 tetrahedra that share corners with four equivalent O(1)Ce2Zr2 tetrahedra, corners with four equivalent O(3)CeZr3 tetrahedra, corners with four equivalent O(4)CeZr3 tetrahedra, corners with four equivalent O(2)Zr4 tetrahedra, edges with two equivalent O(5)Ce2Zr2 tetrahedra, edges with two equivalent O(3)CeZr3 tetrahedra, and edges with two equivalent O(6)Zr4 tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Ce(1) and two equivalent Zr(2) atoms to form distorted OCe2Zr2 tetrahedra that share corners with two equivalent O(5)Ce2Zr2 tetrahedra, corners with two equivalent O(6)Zr4 tetrahedra, corners with four equivalent O(1)Ce2Zr2 tetrahedra, corners with eight equivalent O(3)CeZr3 tetrahedra,  an edgeedge with one O(1)Ce2Zr2 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and edges with four equivalent O(4)CeZr3 tetrahedra. In the sixth O site, O(6) is bonded to two equivalent Zr(1) and two equivalent Zr(2) atoms to form distorted OZr4 tetrahedra that share corners with two equivalent O(5)Ce2Zr2 tetrahedra, corners with two equivalent O(6)Zr4 tetrahedra, corners with four equivalent O(2)Zr4 tetrahedra, corners with eight equivalent O(3)CeZr3 tetrahedra,  an edgeedge with one O(1)Ce2Zr2 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and edges with four equivalent O(4)CeZr3 tetrahedra.
CeZr3O8 crystallizes in the orthorhombic Amm2 space group. Ce(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. Both Ce(1)-O(1) bond lengths are 2.22 Å. Both Ce(1)-O(3) bond lengths are 2.54 Å. Both Ce(1)-O(4) bond lengths are 2.21 Å. Both Ce(1)-O(5) bond lengths are 2.47 Å. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. Both Zr(1)-O(2) bond lengths are 2.10 Å. Both Zr(1)-O(3) bond lengths are 2.41 Å. Both Zr(1)-O(4) bond lengths are 2.10 Å. Both Zr(1)-O(6) bond lengths are 2.49 Å. In the second Zr site, Zr(2) is bonded in a distorted body-centered cubic geometry to one O(1), one O(2), one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms. The Zr(2)-O(1) bond length is 2.34 Å. The Zr(2)-O(2) bond length is 2.53 Å. The Zr(2)-O(5) bond length is 2.15 Å. The Zr(2)-O(6) bond length is 2.09 Å. Both Zr(2)-O(3) bond lengths are 2.13 Å. Both Zr(2)-O(4) bond lengths are 2.43 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ce(1) and two equivalent Zr(2) atoms to form OCe2Zr2 tetrahedra that share corners with two equivalent O(1)Ce2Zr2 tetrahedra, corners with two equivalent O(2)Zr4 tetrahedra, corners with four equivalent O(5)Ce2Zr2 tetrahedra, corners with eight equivalent O(4)CeZr3 tetrahedra,  an edgeedge with one O(5)Ce2Zr2 tetrahedra,  an edgeedge with one O(6)Zr4 tetrahedra, and edges with four equivalent O(3)CeZr3 tetrahedra. In the second O site, O(2) is bonded to two equivalent Zr(1) and two equivalent Zr(2) atoms to form distorted OZr4 tetrahedra that share corners with two equivalent O(1)Ce2Zr2 tetrahedra, corners with two equivalent O(2)Zr4 tetrahedra, corners with four equivalent O(6)Zr4 tetrahedra, corners with eight equivalent O(4)CeZr3 tetrahedra,  an edgeedge with one O(5)Ce2Zr2 tetrahedra,  an edgeedge with one O(6)Zr4 tetrahedra, and edges with four equivalent O(3)CeZr3 tetrahedra. In the third O site, O(3) is bonded to one Ce(1), one Zr(1), and two equivalent Zr(2) atoms to form distorted OCeZr3 tetrahedra that share corners with four equivalent O(5)Ce2Zr2 tetrahedra, corners with four equivalent O(3)CeZr3 tetrahedra, corners with four equivalent O(4)CeZr3 tetrahedra, corners with four equivalent O(6)Zr4 tetrahedra, edges with two equivalent O(1)Ce2Zr2 tetrahedra, edges with two equivalent O(4)CeZr3 tetrahedra, and edges with two equivalent O(2)Zr4 tetrahedra. In the fourth O site, O(4) is bonded to one Ce(1), one Zr(1), and two equivalent Zr(2) atoms to form OCeZr3 tetrahedra that share corners with four equivalent O(1)Ce2Zr2 tetrahedra, corners with four equivalent O(3)CeZr3 tetrahedra, corners with four equivalent O(4)CeZr3 tetrahedra, corners with four equivalent O(2)Zr4 tetrahedra, edges with two equivalent O(5)Ce2Zr2 tetrahedra, edges with two equivalent O(3)CeZr3 tetrahedra, and edges with two equivalent O(6)Zr4 tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Ce(1) and two equivalent Zr(2) atoms to form distorted OCe2Zr2 tetrahedra that share corners with two equivalent O(5)Ce2Zr2 tetrahedra, corners with two equivalent O(6)Zr4 tetrahedra, corners with four equivalent O(1)Ce2Zr2 tetrahedra, corners with eight equivalent O(3)CeZr3 tetrahedra,  an edgeedge with one O(1)Ce2Zr2 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and edges with four equivalent O(4)CeZr3 tetrahedra. In the sixth O site, O(6) is bonded to two equivalent Zr(1) and two equivalent Zr(2) atoms to form distorted OZr4 tetrahedra that share corners with two equivalent O(5)Ce2Zr2 tetrahedra, corners with two equivalent O(6)Zr4 tetrahedra, corners with four equivalent O(2)Zr4 tetrahedra, corners with eight equivalent O(3)CeZr3 tetrahedra,  an edgeedge with one O(1)Ce2Zr2 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and edges with four equivalent O(4)CeZr3 tetrahedra.