CeMoO4Cl crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 9-coordinate geometry to one O(2), one O(5), two equivalent O(3), two equivalent O(4), and three equivalent Cl(1) atoms. In the second Ce site, Ce(2) is bonded in a 9-coordinate geometry to one O(1), one O(6), two equivalent O(7), two equivalent O(8), and three equivalent Cl(2) atoms. There are two inequivalent Mo sites. In the first Mo site, 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. In the second Mo site, Mo(2) is bonded to one O(5), one O(7), one O(8), and two equivalent O(6) atoms to form corner-sharing MoO5 trigonal bipyramids. There are eight inequivalent O sites. In the first 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 second O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ce(1) and one Mo(1) atom. In the third O site, O(5) is bonded in a distorted linear geometry to one Ce(1) and one Mo(2) atom. In the fourth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ce(2) and two equivalent Mo(2) atoms. In the fifth O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ce(2) and one Mo(2) atom. In the sixth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ce(2) and one Mo(2) atom. In the seventh O site, O(1) is bonded in a distorted linear geometry to one Ce(2) and one Mo(1) atom. In the eighth O site, O(2) is bonded in a distorted trigonal planar geometry to one Ce(1) and two equivalent Mo(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ce(1) atoms. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to three equivalent Ce(2) atoms.
CeMoO4Cl crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 9-coordinate geometry to one O(2), one O(5), two equivalent O(3), two equivalent O(4), and three equivalent Cl(1) atoms. The Ce(1)-O(2) bond length is 2.34 Å. The Ce(1)-O(5) bond length is 2.49 Å. There is one shorter (2.33 Å) and one longer (2.44 Å) Ce(1)-O(3) bond length. There is one shorter (2.31 Å) and one longer (2.43 Å) Ce(1)-O(4) bond length. There are a spread of Ce(1)-Cl(1) bond distances ranging from 2.95-3.22 Å. In the second Ce site, Ce(2) is bonded in a 9-coordinate geometry to one O(1), one O(6), two equivalent O(7), two equivalent O(8), and three equivalent Cl(2) atoms. The Ce(2)-O(1) bond length is 2.49 Å. The Ce(2)-O(6) bond length is 2.34 Å. There is one shorter (2.31 Å) and one longer (2.45 Å) Ce(2)-O(7) bond length. There is one shorter (2.30 Å) and one longer (2.43 Å) Ce(2)-O(8) bond length. There are a spread of Ce(2)-Cl(2) bond distances ranging from 2.92-3.23 Å. There are two inequivalent Mo sites. In the first Mo site, 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 1.92 Å. The Mo(1)-O(4) bond length is 1.93 Å. Both Mo(1)-O(2) bond lengths are 1.99 Å. In the second Mo site, Mo(2) is bonded to one O(5), one O(7), one O(8), and two equivalent O(6) atoms to form corner-sharing MoO5 trigonal bipyramids. The Mo(2)-O(5) bond length is 1.76 Å. The Mo(2)-O(7) bond length is 1.92 Å. The Mo(2)-O(8) bond length is 1.93 Å. Both Mo(2)-O(6) bond lengths are 1.99 Å. There are eight inequivalent O sites. In the first 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 second O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ce(1) and one Mo(1) atom. In the third O site, O(5) is bonded in a distorted linear geometry to one Ce(1) and one Mo(2) atom. In the fourth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ce(2) and two equivalent Mo(2) atoms. In the fifth O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ce(2) and one Mo(2) atom. In the sixth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ce(2) and one Mo(2) atom. In the seventh O site, O(1) is bonded in a distorted linear geometry to one Ce(2) and one Mo(1) atom. In the eighth O site, O(2) is bonded in a distorted trigonal planar geometry to one Ce(1) and two equivalent Mo(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ce(1) atoms. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to three equivalent Ce(2) atoms.