NiSO4 crystallizes in the orthorhombic Cmcm space group. Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra and edges with two equivalent Ni(1)O6 octahedra. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one S(1) atom.
NiSO4 crystallizes in the orthorhombic Cmcm space group. Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra and edges with two equivalent Ni(1)O6 octahedra. Both Ni(1)-O(2) bond lengths are 2.00 Å. All Ni(1)-O(1) bond lengths are 2.09 Å. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. Both S(1)-O(1) bond lengths are 1.50 Å. Both S(1)-O(2) bond lengths are 1.45 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one S(1) atom.