NiSO5 crystallizes in the monoclinic C2/c space group. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with four equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. S(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form SO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-50°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one S(1) atom.
NiSO5 crystallizes in the monoclinic C2/c space group. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with four equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. Both Ni(1)-O(1) bond lengths are 1.93 Å. Both Ni(1)-O(2) bond lengths are 2.07 Å. Both Ni(1)-O(3) bond lengths are 2.04 Å. S(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form SO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-50°. Both S(1)-O(2) bond lengths are 1.49 Å. Both S(1)-O(3) bond lengths are 1.48 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one S(1) atom.