Ni3Sn2S2 crystallizes in the trigonal R-3m space group. Ni(1) is bonded in a distorted linear geometry to two equivalent Sn(1), two equivalent Sn(2), and two equivalent S(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to six equivalent Ni(1) and two equivalent S(1) atoms to form corner-sharing SnNi6S2 hexagonal bipyramids. In the second Sn site, Sn(2) is bonded in a distorted hexagonal planar geometry to six equivalent Ni(1) atoms. S(1) is bonded in a 4-coordinate geometry to three equivalent Ni(1) and one Sn(1) atom.
Ni3Sn2S2 crystallizes in the trigonal R-3m space group. Ni(1) is bonded in a distorted linear geometry to two equivalent Sn(1), two equivalent Sn(2), and two equivalent S(1) atoms. Both Ni(1)-Sn(1) bond lengths are 2.75 Å. Both Ni(1)-Sn(2) bond lengths are 2.70 Å. Both Ni(1)-S(1) bond lengths are 2.17 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to six equivalent Ni(1) and two equivalent S(1) atoms to form corner-sharing SnNi6S2 hexagonal bipyramids. Both Sn(1)-S(1) bond lengths are 2.88 Å. In the second Sn site, Sn(2) is bonded in a distorted hexagonal planar geometry to six equivalent Ni(1) atoms. S(1) is bonded in a 4-coordinate geometry to three equivalent Ni(1) and one Sn(1) atom.