CaSO4 is Zircon-like structured and crystallizes in the hexagonal P6_422 space group. Ca(1) is bonded to eight equivalent O(1) atoms to form distorted CaO8 hexagonal bipyramids that share corners with four equivalent S(1)O4 tetrahedra, edges with four equivalent Ca(1)O8 hexagonal bipyramids, and edges with two equivalent S(1)O4 tetrahedra. S(1) is bonded to four equivalent O(1) atoms to form SO4 tetrahedra that share corners with four equivalent Ca(1)O8 hexagonal bipyramids and edges with two equivalent Ca(1)O8 hexagonal bipyramids. O(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one S(1) atom.
CaSO4 is Zircon-like structured and crystallizes in the hexagonal P6_422 space group. Ca(1) is bonded to eight equivalent O(1) atoms to form distorted CaO8 hexagonal bipyramids that share corners with four equivalent S(1)O4 tetrahedra, edges with four equivalent Ca(1)O8 hexagonal bipyramids, and edges with two equivalent S(1)O4 tetrahedra. There are four shorter (2.38 Å) and four longer (2.54 Å) Ca(1)-O(1) bond lengths. S(1) is bonded to four equivalent O(1) atoms to form SO4 tetrahedra that share corners with four equivalent Ca(1)O8 hexagonal bipyramids and edges with two equivalent Ca(1)O8 hexagonal bipyramids. All S(1)-O(1) bond lengths are 1.47 Å. O(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one S(1) atom.