PbS crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one S(2), two equivalent S(1), and two equivalent S(3) atoms to form distorted PbS5 square pyramids that share corners with four equivalent Pb(3)S6 pentagonal pyramids, corners with two equivalent Pb(1)S5 square pyramids, corners with four equivalent Pb(2)S4 tetrahedra, edges with two equivalent Pb(3)S6 pentagonal pyramids, edges with two equivalent Pb(1)S5 square pyramids, and  a faceface with one Pb(1)S5 square pyramid. In the second Pb site, Pb(2) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form distorted PbS4 tetrahedra that share corners with eight equivalent Pb(1)S5 square pyramids, corners with two equivalent Pb(2)S4 tetrahedra, and edges with two equivalent Pb(3)S6 pentagonal pyramids. In the third Pb site, Pb(3) is bonded to two equivalent S(3) and four equivalent S(1) atoms to form distorted PbS6 pentagonal pyramids that share corners with eight equivalent Pb(1)S5 square pyramids, edges with four equivalent Pb(1)S5 square pyramids, edges with two equivalent Pb(2)S4 tetrahedra, and faces with two equivalent Pb(3)S6 pentagonal pyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Pb(2), two equivalent Pb(1), and two equivalent Pb(3) atoms to form distorted SPb5 trigonal bipyramids that share corners with four equivalent S(3)Pb6 pentagonal pyramids, corners with two equivalent S(1)Pb5 trigonal bipyramids, edges with two equivalent S(3)Pb6 pentagonal pyramids, edges with two equivalent S(1)Pb5 trigonal bipyramids, and  a faceface with one S(1)Pb5 trigonal bipyramid. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent Pb(1) and two equivalent Pb(2) atoms. In the third S site, S(3) is bonded to two equivalent Pb(3) and four equivalent Pb(1) atoms to form distorted SPb6 pentagonal pyramids that share corners with eight equivalent S(1)Pb5 trigonal bipyramids, edges with four equivalent S(1)Pb5 trigonal bipyramids, and faces with two equivalent S(3)Pb6 pentagonal pyramids.
PbS crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one S(2), two equivalent S(1), and two equivalent S(3) atoms to form distorted PbS5 square pyramids that share corners with four equivalent Pb(3)S6 pentagonal pyramids, corners with two equivalent Pb(1)S5 square pyramids, corners with four equivalent Pb(2)S4 tetrahedra, edges with two equivalent Pb(3)S6 pentagonal pyramids, edges with two equivalent Pb(1)S5 square pyramids, and  a faceface with one Pb(1)S5 square pyramid. The Pb(1)-S(2) bond length is 2.81 Å. Both Pb(1)-S(1) bond lengths are 2.85 Å. Both Pb(1)-S(3) bond lengths are 3.14 Å. In the second Pb site, Pb(2) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form distorted PbS4 tetrahedra that share corners with eight equivalent Pb(1)S5 square pyramids, corners with two equivalent Pb(2)S4 tetrahedra, and edges with two equivalent Pb(3)S6 pentagonal pyramids. Both Pb(2)-S(1) bond lengths are 2.89 Å. Both Pb(2)-S(2) bond lengths are 2.81 Å. In the third Pb site, Pb(3) is bonded to two equivalent S(3) and four equivalent S(1) atoms to form distorted PbS6 pentagonal pyramids that share corners with eight equivalent Pb(1)S5 square pyramids, edges with four equivalent Pb(1)S5 square pyramids, edges with two equivalent Pb(2)S4 tetrahedra, and faces with two equivalent Pb(3)S6 pentagonal pyramids. Both Pb(3)-S(3) bond lengths are 2.91 Å. All Pb(3)-S(1) bond lengths are 3.13 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Pb(2), two equivalent Pb(1), and two equivalent Pb(3) atoms to form distorted SPb5 trigonal bipyramids that share corners with four equivalent S(3)Pb6 pentagonal pyramids, corners with two equivalent S(1)Pb5 trigonal bipyramids, edges with two equivalent S(3)Pb6 pentagonal pyramids, edges with two equivalent S(1)Pb5 trigonal bipyramids, and  a faceface with one S(1)Pb5 trigonal bipyramid. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent Pb(1) and two equivalent Pb(2) atoms. In the third S site, S(3) is bonded to two equivalent Pb(3) and four equivalent Pb(1) atoms to form distorted SPb6 pentagonal pyramids that share corners with eight equivalent S(1)Pb5 trigonal bipyramids, edges with four equivalent S(1)Pb5 trigonal bipyramids, and faces with two equivalent S(3)Pb6 pentagonal pyramids.