Sr4MoAl6O16 crystallizes in the tetragonal I-4m2 space group. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted SrO8 hexagonal bipyramids that share corners with four equivalent Sr(1)O8 hexagonal bipyramids, corners with two equivalent Mo(1)O4 tetrahedra, edges with two equivalent Sr(1)O8 hexagonal bipyramids,  an edgeedge with one Al(2)O4 tetrahedra,  an edgeedge with one Al(3)O4 tetrahedra, and edges with four equivalent Al(1)O4 tetrahedra. Mo(1) is bonded to four equivalent O(4) atoms to form MoO4 tetrahedra that share corners with eight equivalent Sr(1)O8 hexagonal bipyramids. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form AlO4 tetrahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, and edges with four equivalent Sr(1)O8 hexagonal bipyramids. In the second Al site, Al(2) is bonded to four equivalent O(1) atoms to form AlO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra and edges with four equivalent Sr(1)O8 hexagonal bipyramids. In the third Al site, Al(3) is bonded to four equivalent O(2) atoms to form AlO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra and edges with four equivalent Sr(1)O8 hexagonal bipyramids. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one Mo(1) atom. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Sr(1), one Al(1), and one Al(2) atom. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Sr(1), one Al(1), and one Al(3) atom. In the fourth O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Sr(1) and two equivalent Al(1) atoms.
Sr4MoAl6O16 crystallizes in the tetragonal I-4m2 space group. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted SrO8 hexagonal bipyramids that share corners with four equivalent Sr(1)O8 hexagonal bipyramids, corners with two equivalent Mo(1)O4 tetrahedra, edges with two equivalent Sr(1)O8 hexagonal bipyramids,  an edgeedge with one Al(2)O4 tetrahedra,  an edgeedge with one Al(3)O4 tetrahedra, and edges with four equivalent Al(1)O4 tetrahedra. Both Sr(1)-O(1) bond lengths are 2.75 Å. Both Sr(1)-O(2) bond lengths are 2.62 Å. Both Sr(1)-O(3) bond lengths are 2.71 Å. Both Sr(1)-O(4) bond lengths are 2.85 Å. Mo(1) is bonded to four equivalent O(4) atoms to form MoO4 tetrahedra that share corners with eight equivalent Sr(1)O8 hexagonal bipyramids. All Mo(1)-O(4) bond lengths are 1.80 Å. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form AlO4 tetrahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, and edges with four equivalent Sr(1)O8 hexagonal bipyramids. The Al(1)-O(1) bond length is 1.76 Å. The Al(1)-O(2) bond length is 1.76 Å. Both Al(1)-O(3) bond lengths are 1.76 Å. In the second Al site, Al(2) is bonded to four equivalent O(1) atoms to form AlO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra and edges with four equivalent Sr(1)O8 hexagonal bipyramids. All Al(2)-O(1) bond lengths are 1.76 Å. In the third Al site, Al(3) is bonded to four equivalent O(2) atoms to form AlO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra and edges with four equivalent Sr(1)O8 hexagonal bipyramids. All Al(3)-O(2) bond lengths are 1.75 Å. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one Mo(1) atom. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Sr(1), one Al(1), and one Al(2) atom. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Sr(1), one Al(1), and one Al(3) atom. In the fourth O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Sr(1) and two equivalent Al(1) atoms.