Ni2ZnS5 crystallizes in the orthorhombic Pmmn space group. Ni(1) is bonded to one S(1), one S(3), and three equivalent S(2) atoms to form a mixture of edge and corner-sharing NiS5 trigonal bipyramids. Zn(1) is bonded in a 6-coordinate geometry to two equivalent S(1) and four equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ni(1) and two equivalent Zn(1) atoms to form corner-sharing SZn2Ni2 tetrahedra. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ni(1) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Ni(1), two equivalent Zn(1), and one S(3) atom.
Ni2ZnS5 crystallizes in the orthorhombic Pmmn space group. Ni(1) is bonded to one S(1), one S(3), and three equivalent S(2) atoms to form a mixture of edge and corner-sharing NiS5 trigonal bipyramids. The Ni(1)-S(1) bond length is 2.23 Å. The Ni(1)-S(3) bond length is 2.22 Å. All Ni(1)-S(2) bond lengths are 2.22 Å. Zn(1) is bonded in a 6-coordinate geometry to two equivalent S(1) and four equivalent S(3) atoms. Both Zn(1)-S(1) bond lengths are 2.41 Å. All Zn(1)-S(3) bond lengths are 2.64 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ni(1) and two equivalent Zn(1) atoms to form corner-sharing SZn2Ni2 tetrahedra. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ni(1) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Ni(1), two equivalent Zn(1), and one S(3) atom. The S(3)-S(3) bond length is 2.14 Å.