Rb3Li2Al(MoO4)4 crystallizes in the tetragonal I-42d space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form distorted RbO12 cuboctahedra that share corners with four equivalent Mo(1)O4 tetrahedra, edges with four equivalent Rb(1)O12 cuboctahedra, edges with four equivalent Rb(2)O12 cuboctahedra, edges with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Al(1)O4 tetrahedra, and edges with four equivalent Mo(1)O4 tetrahedra. In the second Rb site, Rb(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form RbO12 cuboctahedra that share corners with four equivalent Mo(1)O4 tetrahedra, edges with eight equivalent Rb(1)O12 cuboctahedra, edges with four equivalent Li(1)O4 tetrahedra, and edges with four equivalent Mo(1)O4 tetrahedra. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with four equivalent Mo(1)O4 tetrahedra, edges with two equivalent Rb(1)O12 cuboctahedra, and edges with two equivalent Rb(2)O12 cuboctahedra. Mo(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MoO4 tetrahedra that share  a cornercorner with one Rb(2)O12 cuboctahedra, corners with two equivalent Rb(1)O12 cuboctahedra,  a cornercorner with one Al(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Rb(2)O12 cuboctahedra, and edges with two equivalent Rb(1)O12 cuboctahedra. Al(1) is bonded to four equivalent O(4) atoms to form AlO4 tetrahedra that share corners with four equivalent Mo(1)O4 tetrahedra and edges with four equivalent Rb(1)O12 cuboctahedra. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Rb(1), one Mo(1), and one Al(1) atom. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one Rb(1), one Rb(2), one Li(1), and one Mo(1) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Rb(1), one Rb(2), one Li(1), and one Mo(1) atom. In the fourth O site, O(3) is bonded in a single-bond geometry to one Rb(2), two equivalent Rb(1), and one Mo(1) atom.
Rb3Li2Al(MoO4)4 crystallizes in the tetragonal I-42d space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form distorted RbO12 cuboctahedra that share corners with four equivalent Mo(1)O4 tetrahedra, edges with four equivalent Rb(1)O12 cuboctahedra, edges with four equivalent Rb(2)O12 cuboctahedra, edges with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Al(1)O4 tetrahedra, and edges with four equivalent Mo(1)O4 tetrahedra. Both Rb(1)-O(1) bond lengths are 3.34 Å. Both Rb(1)-O(2) bond lengths are 3.26 Å. There are two shorter (3.28 Å) and two longer (3.48 Å) Rb(1)-O(3) bond lengths. There are two shorter (3.35 Å) and two longer (3.41 Å) Rb(1)-O(4) bond lengths. In the second Rb site, Rb(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form RbO12 cuboctahedra that share corners with four equivalent Mo(1)O4 tetrahedra, edges with eight equivalent Rb(1)O12 cuboctahedra, edges with four equivalent Li(1)O4 tetrahedra, and edges with four equivalent Mo(1)O4 tetrahedra. All Rb(2)-O(1) bond lengths are 3.32 Å. All Rb(2)-O(2) bond lengths are 3.38 Å. All Rb(2)-O(3) bond lengths are 3.38 Å. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with four equivalent Mo(1)O4 tetrahedra, edges with two equivalent Rb(1)O12 cuboctahedra, and edges with two equivalent Rb(2)O12 cuboctahedra. Both Li(1)-O(1) bond lengths are 1.95 Å. Both Li(1)-O(2) bond lengths are 1.95 Å. Mo(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MoO4 tetrahedra that share  a cornercorner with one Rb(2)O12 cuboctahedra, corners with two equivalent Rb(1)O12 cuboctahedra,  a cornercorner with one Al(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Rb(2)O12 cuboctahedra, and edges with two equivalent Rb(1)O12 cuboctahedra. The Mo(1)-O(1) bond length is 1.77 Å. The Mo(1)-O(2) bond length is 1.78 Å. The Mo(1)-O(3) bond length is 1.75 Å. The Mo(1)-O(4) bond length is 1.88 Å. Al(1) is bonded to four equivalent O(4) atoms to form AlO4 tetrahedra that share corners with four equivalent Mo(1)O4 tetrahedra and edges with four equivalent Rb(1)O12 cuboctahedra. All Al(1)-O(4) bond lengths are 1.76 Å. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Rb(1), one Mo(1), and one Al(1) atom. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one Rb(1), one Rb(2), one Li(1), and one Mo(1) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Rb(1), one Rb(2), one Li(1), and one Mo(1) atom. In the fourth O site, O(3) is bonded in a single-bond geometry to one Rb(2), two equivalent Rb(1), and one Mo(1) atom.