CsMgAl(MoO4)2 crystallizes in the trigonal P3m1 space group. Cs(1) is bonded in a 7-coordinate geometry to one Mg(1), three equivalent O(2), and three equivalent O(4) atoms. Mg(1) is bonded in a 3-coordinate geometry to one Cs(1) and three equivalent O(3) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1) and three equivalent O(3) atoms to form MoO4 tetrahedra that share corners with three equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 23°. In the second Mo site, Mo(2) is bonded to one O(2) and three equivalent O(4) atoms to form MoO4 tetrahedra that share corners with three equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 20°. Al(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form AlO6 octahedra that share corners with three equivalent Mo(1)O4 tetrahedra and corners with three equivalent Mo(2)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Mo(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(1), and one Al(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mo(2), and one Al(1) atom.
CsMgAl(MoO4)2 crystallizes in the trigonal P3m1 space group. Cs(1) is bonded in a 7-coordinate geometry to one Mg(1), three equivalent O(2), and three equivalent O(4) atoms. The Cs(1)-Mg(1) bond length is 3.84 Å. All Cs(1)-O(2) bond lengths are 3.35 Å. All Cs(1)-O(4) bond lengths are 3.19 Å. Mg(1) is bonded in a 3-coordinate geometry to one Cs(1) and three equivalent O(3) atoms. All Mg(1)-O(3) bond lengths are 1.98 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1) and three equivalent O(3) atoms to form MoO4 tetrahedra that share corners with three equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 23°. The Mo(1)-O(1) bond length is 1.85 Å. All Mo(1)-O(3) bond lengths are 1.93 Å. In the second Mo site, Mo(2) is bonded to one O(2) and three equivalent O(4) atoms to form MoO4 tetrahedra that share corners with three equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 20°. The Mo(2)-O(2) bond length is 1.77 Å. All Mo(2)-O(4) bond lengths are 1.81 Å. Al(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form AlO6 octahedra that share corners with three equivalent Mo(1)O4 tetrahedra and corners with three equivalent Mo(2)O4 tetrahedra. All Al(1)-O(3) bond lengths are 1.90 Å. All Al(1)-O(4) bond lengths are 1.94 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Mo(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(1), and one Al(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mo(2), and one Al(1) atom.