Ni3(PbSe)2 crystallizes in the trigonal R-3m space group. Ni(1) is bonded in a 2-coordinate geometry to two equivalent Pb(1), two equivalent Pb(2), and two equivalent Se(1) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted hexagonal planar geometry to six equivalent Ni(1) atoms. In the second Pb site, Pb(2) is bonded to six equivalent Ni(1) and two equivalent Se(1) atoms to form corner-sharing PbNi6Se2 hexagonal bipyramids. Se(1) is bonded in a 3-coordinate geometry to three equivalent Ni(1) and one Pb(2) atom.
Ni3(PbSe)2 crystallizes in the trigonal R-3m space group. Ni(1) is bonded in a 2-coordinate geometry to two equivalent Pb(1), two equivalent Pb(2), and two equivalent Se(1) atoms. Both Ni(1)-Pb(1) bond lengths are 2.93 Å. Both Ni(1)-Pb(2) bond lengths are 2.86 Å. Both Ni(1)-Se(1) bond lengths are 2.30 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted hexagonal planar geometry to six equivalent Ni(1) atoms. In the second Pb site, Pb(2) is bonded to six equivalent Ni(1) and two equivalent Se(1) atoms to form corner-sharing PbNi6Se2 hexagonal bipyramids. Both Pb(2)-Se(1) bond lengths are 3.24 Å. Se(1) is bonded in a 3-coordinate geometry to three equivalent Ni(1) and one Pb(2) atom.