Ni2(SO4)3 crystallizes in the trigonal R-3 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. In the second Ni site, Ni(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form NiO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-46°. There are four inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Ni(1) and one S(1) atom. In the second O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one S(1) atom. In the third O site, O(4) is bonded in a bent 150 degrees geometry to one Ni(2) and one S(1) atom. In the fourth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one S(1) atom.
Ni2(SO4)3 crystallizes in the trigonal R-3 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. All Ni(1)-O(2) bond lengths are 2.07 Å. All Ni(1)-O(3) bond lengths are 2.07 Å. In the second Ni site, Ni(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form NiO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. All Ni(2)-O(1) bond lengths are 2.02 Å. All Ni(2)-O(4) bond lengths are 2.05 Å. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-46°. The S(1)-O(1) bond length is 1.50 Å. The S(1)-O(2) bond length is 1.47 Å. The S(1)-O(3) bond length is 1.48 Å. The S(1)-O(4) bond length is 1.48 Å. There are four inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Ni(1) and one S(1) atom. In the second O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one S(1) atom. In the third O site, O(4) is bonded in a bent 150 degrees geometry to one Ni(2) and one S(1) atom. In the fourth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one S(1) atom.