MgH2SO5 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with four equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. H(1) is bonded in a single-bond geometry to one O(3) atom. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-47°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Mg(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to two equivalent Mg(1) and two equivalent H(1) atoms.
MgH2SO5 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with four equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. Both Mg(1)-O(1) bond lengths are 2.04 Å. Both Mg(1)-O(2) bond lengths are 2.09 Å. Both Mg(1)-O(3) bond lengths are 2.20 Å. H(1) is bonded in a single-bond geometry to one O(3) atom. The H(1)-O(3) bond length is 1.00 Å. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-47°. Both S(1)-O(1) bond lengths are 1.47 Å. Both S(1)-O(2) bond lengths are 1.50 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Mg(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to two equivalent Mg(1) and two equivalent H(1) atoms.