Ca4Al6SO16 crystallizes in the cubic I-43m space group. The structure consists of two sulfuric acid molecules inside a Ca2Al3O6 framework. In the Ca2Al3O6 framework, Ca(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(1) atoms. Al(1) is bonded to four equivalent O(1) atoms to form corner-sharing AlO4 tetrahedra. O(1) is bonded in a trigonal planar geometry to one Ca(1) and two equivalent Al(1) atoms.
Ca4Al6SO16 crystallizes in the cubic I-43m space group. The structure consists of two sulfuric acid molecules inside a Ca2Al3O6 framework. In the Ca2Al3O6 framework, Ca(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(1) atoms. All Ca(1)-O(1) bond lengths are 2.27 Å. Al(1) is bonded to four equivalent O(1) atoms to form corner-sharing AlO4 tetrahedra. All Al(1)-O(1) bond lengths are 1.77 Å. O(1) is bonded in a trigonal planar geometry to one Ca(1) and two equivalent Al(1) atoms.