Y2Sn3(PbS4)3 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one S(4), one S(5), two equivalent S(10), two equivalent S(11), and two equivalent S(12) atoms. In the second Y site, Y(2) is bonded to one S(1), one S(2), one S(3), two equivalent S(6), and two equivalent S(7) atoms to form distorted YS7 pentagonal bipyramids that share corners with two equivalent Sn(2)S6 octahedra, edges with two equivalent Sn(1)S6 octahedra, edges with two equivalent Sn(2)S6 octahedra, and edges with two equivalent Y(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 49°. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to one S(3), two equivalent S(11), two equivalent S(12), and two equivalent S(9) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one S(2), one S(4), two equivalent S(10), and two equivalent S(8) atoms. In the third Pb site, Pb(3) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(6), two equivalent S(7), and two equivalent S(8) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one S(11), one S(7), two equivalent S(3), and two equivalent S(4) atoms to form SnS6 octahedra that share edges with two equivalent Sn(1)S6 octahedra and edges with two equivalent Y(2)S7 pentagonal bipyramids. In the second Sn site, Sn(2) is bonded to one S(6), one S(8), two equivalent S(1), and two equivalent S(2) atoms to form SnS6 octahedra that share corners with two equivalent Y(2)S7 pentagonal bipyramids, edges with two equivalent Sn(2)S6 octahedra, and edges with two equivalent Y(2)S7 pentagonal bipyramids. In the third Sn site, Sn(3) is bonded to one S(10), one S(12), one S(9), and two equivalent S(5) atoms to form corner-sharing SnS5 trigonal bipyramids. There are twelve inequivalent S sites. In the first S site, S(1) is bonded to one Y(2), one Pb(3), and two equivalent Sn(2) atoms to form distorted SYSn2Pb trigonal pyramids that share  a cornercorner with one S(3)YSn2Pb trigonal pyramid, corners with two equivalent S(1)YSn2Pb trigonal pyramids, corners with three equivalent S(2)YSn2Pb trigonal pyramids, edges with two equivalent S(8)SnPb4 square pyramids, and  an edgeedge with one S(2)YSn2Pb trigonal pyramid. In the second S site, S(2) is bonded to one Y(2), one Pb(2), and two equivalent Sn(2) atoms to form distorted SYSn2Pb trigonal pyramids that share  a cornercorner with one S(3)YSn2Pb trigonal pyramid,  a cornercorner with one S(4)YSn2Pb trigonal pyramid, corners with two equivalent S(2)YSn2Pb trigonal pyramids, corners with three equivalent S(1)YSn2Pb trigonal pyramids, edges with two equivalent S(8)SnPb4 square pyramids, and  an edgeedge with one S(1)YSn2Pb trigonal pyramid. In the third S site, S(3) is bonded to one Y(2), one Pb(1), and two equivalent Sn(1) atoms to form a mixture of distorted edge and corner-sharing SYSn2Pb trigonal pyramids. In the fourth S site, S(4) is bonded to one Y(1), one Pb(2), and two equivalent Sn(1) atoms to form distorted SYSn2Pb trigonal pyramids that share corners with two equivalent S(8)SnPb4 square pyramids,  a cornercorner with one S(2)YSn2Pb trigonal pyramid, corners with two equivalent S(3)YSn2Pb trigonal pyramids, corners with two equivalent S(4)YSn2Pb trigonal pyramids, and  an edgeedge with one S(3)YSn2Pb trigonal pyramid. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one Y(1) and two equivalent Sn(3) atoms. In the sixth S site, S(6) is bonded in a 5-coordinate geometry to two equivalent Y(2), two equivalent Pb(3), and one Sn(2) atom. In the seventh S site, S(7) is bonded in a 3-coordinate geometry to two equivalent Y(2), two equivalent Pb(3), and one Sn(1) atom. In the eighth S site, S(8) is bonded to two equivalent Pb(2), two equivalent Pb(3), and one Sn(2) atom to form distorted SSnPb4 square pyramids that share corners with two equivalent S(4)YSn2Pb trigonal pyramids, edges with two equivalent S(8)SnPb4 square pyramids, edges with two equivalent S(1)YSn2Pb trigonal pyramids, and edges with two equivalent S(2)YSn2Pb trigonal pyramids. In the ninth S site, S(9) is bonded in a 3-coordinate geometry to two equivalent Pb(1) and one Sn(3) atom. In the tenth S site, S(10) is bonded in a 5-coordinate geometry to two equivalent Y(1), two equivalent Pb(2), and one Sn(3) atom. In the eleventh S site, S(11) is bonded in a 3-coordinate geometry to two equivalent Y(1), two equivalent Pb(1), and one Sn(1) atom. In the twelfth S site, S(12) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Y(1), two equivalent Pb(1), and one Sn(3) atom.
Y2Sn3(PbS4)3 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one S(4), one S(5), two equivalent S(10), two equivalent S(11), and two equivalent S(12) atoms. The Y(1)-S(4) bond length is 3.14 Å. The Y(1)-S(5) bond length is 3.17 Å. Both Y(1)-S(10) bond lengths are 2.89 Å. Both Y(1)-S(11) bond lengths are 2.85 Å. Both Y(1)-S(12) bond lengths are 2.84 Å. In the second Y site, Y(2) is bonded to one S(1), one S(2), one S(3), two equivalent S(6), and two equivalent S(7) atoms to form distorted YS7 pentagonal bipyramids that share corners with two equivalent Sn(2)S6 octahedra, edges with two equivalent Sn(1)S6 octahedra, edges with two equivalent Sn(2)S6 octahedra, and edges with two equivalent Y(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 49°. The Y(2)-S(1) bond length is 2.83 Å. The Y(2)-S(2) bond length is 2.83 Å. The Y(2)-S(3) bond length is 2.83 Å. Both Y(2)-S(6) bond lengths are 2.81 Å. Both Y(2)-S(7) bond lengths are 2.78 Å. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to one S(3), two equivalent S(11), two equivalent S(12), and two equivalent S(9) atoms. The Pb(1)-S(3) bond length is 2.91 Å. Both Pb(1)-S(11) bond lengths are 3.18 Å. Both Pb(1)-S(12) bond lengths are 3.20 Å. Both Pb(1)-S(9) bond lengths are 3.01 Å. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one S(2), one S(4), two equivalent S(10), and two equivalent S(8) atoms. The Pb(2)-S(2) bond length is 3.07 Å. The Pb(2)-S(4) bond length is 3.02 Å. Both Pb(2)-S(10) bond lengths are 3.09 Å. Both Pb(2)-S(8) bond lengths are 2.95 Å. In the third Pb site, Pb(3) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(6), two equivalent S(7), and two equivalent S(8) atoms. The Pb(3)-S(1) bond length is 3.15 Å. Both Pb(3)-S(6) bond lengths are 3.11 Å. Both Pb(3)-S(7) bond lengths are 3.21 Å. Both Pb(3)-S(8) bond lengths are 2.95 Å. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one S(11), one S(7), two equivalent S(3), and two equivalent S(4) atoms to form SnS6 octahedra that share edges with two equivalent Sn(1)S6 octahedra and edges with two equivalent Y(2)S7 pentagonal bipyramids. The Sn(1)-S(11) bond length is 2.54 Å. The Sn(1)-S(7) bond length is 2.57 Å. Both Sn(1)-S(3) bond lengths are 2.65 Å. Both Sn(1)-S(4) bond lengths are 2.60 Å. In the second Sn site, Sn(2) is bonded to one S(6), one S(8), two equivalent S(1), and two equivalent S(2) atoms to form SnS6 octahedra that share corners with two equivalent Y(2)S7 pentagonal bipyramids, edges with two equivalent Sn(2)S6 octahedra, and edges with two equivalent Y(2)S7 pentagonal bipyramids. The Sn(2)-S(6) bond length is 2.56 Å. The Sn(2)-S(8) bond length is 2.55 Å. Both Sn(2)-S(1) bond lengths are 2.62 Å. Both Sn(2)-S(2) bond lengths are 2.63 Å. In the third Sn site, Sn(3) is bonded to one S(10), one S(12), one S(9), and two equivalent S(5) atoms to form corner-sharing SnS5 trigonal bipyramids. The Sn(3)-S(10) bond length is 2.58 Å. The Sn(3)-S(12) bond length is 2.58 Å. The Sn(3)-S(9) bond length is 2.45 Å. Both Sn(3)-S(5) bond lengths are 2.48 Å. There are twelve inequivalent S sites. In the first S site, S(1) is bonded to one Y(2), one Pb(3), and two equivalent Sn(2) atoms to form distorted SYSn2Pb trigonal pyramids that share  a cornercorner with one S(3)YSn2Pb trigonal pyramid, corners with two equivalent S(1)YSn2Pb trigonal pyramids, corners with three equivalent S(2)YSn2Pb trigonal pyramids, edges with two equivalent S(8)SnPb4 square pyramids, and  an edgeedge with one S(2)YSn2Pb trigonal pyramid. In the second S site, S(2) is bonded to one Y(2), one Pb(2), and two equivalent Sn(2) atoms to form distorted SYSn2Pb trigonal pyramids that share  a cornercorner with one S(3)YSn2Pb trigonal pyramid,  a cornercorner with one S(4)YSn2Pb trigonal pyramid, corners with two equivalent S(2)YSn2Pb trigonal pyramids, corners with three equivalent S(1)YSn2Pb trigonal pyramids, edges with two equivalent S(8)SnPb4 square pyramids, and  an edgeedge with one S(1)YSn2Pb trigonal pyramid. In the third S site, S(3) is bonded to one Y(2), one Pb(1), and two equivalent Sn(1) atoms to form a mixture of distorted edge and corner-sharing SYSn2Pb trigonal pyramids. In the fourth S site, S(4) is bonded to one Y(1), one Pb(2), and two equivalent Sn(1) atoms to form distorted SYSn2Pb trigonal pyramids that share corners with two equivalent S(8)SnPb4 square pyramids,  a cornercorner with one S(2)YSn2Pb trigonal pyramid, corners with two equivalent S(3)YSn2Pb trigonal pyramids, corners with two equivalent S(4)YSn2Pb trigonal pyramids, and  an edgeedge with one S(3)YSn2Pb trigonal pyramid. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one Y(1) and two equivalent Sn(3) atoms. In the sixth S site, S(6) is bonded in a 5-coordinate geometry to two equivalent Y(2), two equivalent Pb(3), and one Sn(2) atom. In the seventh S site, S(7) is bonded in a 3-coordinate geometry to two equivalent Y(2), two equivalent Pb(3), and one Sn(1) atom. In the eighth S site, S(8) is bonded to two equivalent Pb(2), two equivalent Pb(3), and one Sn(2) atom to form distorted SSnPb4 square pyramids that share corners with two equivalent S(4)YSn2Pb trigonal pyramids, edges with two equivalent S(8)SnPb4 square pyramids, edges with two equivalent S(1)YSn2Pb trigonal pyramids, and edges with two equivalent S(2)YSn2Pb trigonal pyramids. In the ninth S site, S(9) is bonded in a 3-coordinate geometry to two equivalent Pb(1) and one Sn(3) atom. In the tenth S site, S(10) is bonded in a 5-coordinate geometry to two equivalent Y(1), two equivalent Pb(2), and one Sn(3) atom. In the eleventh S site, S(11) is bonded in a 3-coordinate geometry to two equivalent Y(1), two equivalent Pb(1), and one Sn(1) atom. In the twelfth S site, S(12) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Y(1), two equivalent Pb(1), and one Sn(3) atom.