CeMoO4Br crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), and three equivalent Br(1) atoms. Mo(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(2) atoms to form corner-sharing MoO5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ce(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ce(1) and two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ce(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ce(1) and one Mo(1) atom. Br(1) is bonded in a 3-coordinate geometry to three equivalent Ce(1) atoms.
CeMoO4Br crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), and three equivalent Br(1) atoms. The Ce(1)-O(1) bond length is 2.51 Å. The Ce(1)-O(2) bond length is 2.32 Å. There is one shorter (2.30 Å) and one longer (2.45 Å) Ce(1)-O(3) bond length. There is one shorter (2.26 Å) and one longer (2.47 Å) Ce(1)-O(4) bond length. There are a spread of Ce(1)-Br(1) bond distances ranging from 3.07-3.42 Å. Mo(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(2) atoms to form corner-sharing MoO5 trigonal bipyramids. The Mo(1)-O(1) bond length is 1.76 Å. The Mo(1)-O(3) bond length is 1.94 Å. The Mo(1)-O(4) bond length is 1.96 Å. Both Mo(1)-O(2) bond lengths are 2.01 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ce(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ce(1) and two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ce(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ce(1) and one Mo(1) atom. Br(1) is bonded in a 3-coordinate geometry to three equivalent Ce(1) atoms.