CaU(MoO4)4 crystallizes in the monoclinic P2/c space group. Ca(1) is bonded to one O(6), two equivalent O(3), two equivalent O(4), and two equivalent O(9) atoms to form CaO7 pentagonal bipyramids that share corners with two equivalent U(1)O7 pentagonal bipyramids. U(1) is bonded to one O(7), two equivalent O(1), two equivalent O(8), and two equivalent O(9) atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent Ca(1)O7 pentagonal bipyramids. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one U(1), one Mo(1), and one Mo(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Mo(1) and one Mo(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ca(1) and one Mo(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Mo(1), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Mo(1) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ca(1) and two equivalent Mo(2) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one U(1) and two equivalent Mo(1) atoms. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one U(1) and one Mo(1) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Ca(1) and one U(1) atom.
CaU(MoO4)4 crystallizes in the monoclinic P2/c space group. Ca(1) is bonded to one O(6), two equivalent O(3), two equivalent O(4), and two equivalent O(9) atoms to form CaO7 pentagonal bipyramids that share corners with two equivalent U(1)O7 pentagonal bipyramids. The Ca(1)-O(6) bond length is 2.44 Å. Both Ca(1)-O(3) bond lengths are 2.37 Å. Both Ca(1)-O(4) bond lengths are 2.37 Å. Both Ca(1)-O(9) bond lengths are 2.30 Å. U(1) is bonded to one O(7), two equivalent O(1), two equivalent O(8), and two equivalent O(9) atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent Ca(1)O7 pentagonal bipyramids. The U(1)-O(7) bond length is 2.39 Å. Both U(1)-O(1) bond lengths are 2.32 Å. Both U(1)-O(8) bond lengths are 2.33 Å. Both U(1)-O(9) bond lengths are 1.82 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom. The Mo(1)-O(1) bond length is 2.18 Å. The Mo(1)-O(2) bond length is 2.41 Å. The Mo(1)-O(4) bond length is 1.81 Å. The Mo(1)-O(5) bond length is 1.71 Å. The Mo(1)-O(7) bond length is 1.98 Å. The Mo(1)-O(8) bond length is 1.76 Å. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Mo(2)-O(1) bond length is 1.91 Å. The Mo(2)-O(2) bond length is 1.71 Å. The Mo(2)-O(3) bond length is 1.71 Å. The Mo(2)-O(4) bond length is 2.20 Å. The Mo(2)-O(5) bond length is 2.42 Å. The Mo(2)-O(6) bond length is 1.93 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one U(1), one Mo(1), and one Mo(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Mo(1) and one Mo(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ca(1) and one Mo(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Mo(1), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Mo(1) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ca(1) and two equivalent Mo(2) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one U(1) and two equivalent Mo(1) atoms. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one U(1) and one Mo(1) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Ca(1) and one U(1) atom.