CeReO4 crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), three equivalent O(3), and three equivalent O(4) atoms. Re(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 31-37°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ce(1) and two equivalent Re(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ce(1) and two equivalent Re(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Ce(1) and one Re(1) atom. In the fourth O site, O(4) is bonded to three equivalent Ce(1) and one Re(1) atom to form a mixture of distorted corner and edge-sharing OCe3Re tetrahedra.
CeReO4 crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), three equivalent O(3), and three equivalent O(4) atoms. The Ce(1)-O(1) bond length is 2.72 Å. The Ce(1)-O(2) bond length is 2.40 Å. There are a spread of Ce(1)-O(3) bond distances ranging from 2.25-2.98 Å. There are a spread of Ce(1)-O(4) bond distances ranging from 2.30-2.51 Å. Re(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 31-37°. The Re(1)-O(3) bond length is 2.00 Å. The Re(1)-O(4) bond length is 2.06 Å. There is one shorter (1.94 Å) and one longer (1.95 Å) Re(1)-O(1) bond length. There is one shorter (1.97 Å) and one longer (1.98 Å) Re(1)-O(2) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ce(1) and two equivalent Re(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ce(1) and two equivalent Re(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Ce(1) and one Re(1) atom. In the fourth O site, O(4) is bonded to three equivalent Ce(1) and one Re(1) atom to form a mixture of distorted corner and edge-sharing OCe3Re tetrahedra.