Nd2Sn3(PbS4)3 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one S(4), one S(8), two equivalent S(11), two equivalent S(2), and two equivalent S(3) atoms. In the second Nd site, Nd(2) is bonded to one S(5), one S(6), one S(7), two equivalent S(1), and two equivalent S(10) atoms to form distorted NdS7 pentagonal bipyramids that share corners with two equivalent Sn(2)S6 octahedra,  a cornercorner with one Pb(1)S6 pentagonal pyramid, edges with two equivalent Sn(1)S6 octahedra, edges with two equivalent Sn(2)S6 octahedra, and edges with two equivalent Nd(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 50°. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one S(4), one S(6), two equivalent S(11), and two equivalent S(9) atoms to form distorted PbS6 pentagonal pyramids that share corners with two equivalent Sn(1)S6 octahedra,  a cornercorner with one Nd(2)S7 pentagonal bipyramid, corners with two equivalent Sn(3)S5 trigonal bipyramids, edges with two equivalent Sn(2)S6 octahedra, and edges with two equivalent Pb(1)S6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 50°. In the second Pb site, Pb(2) is bonded in a 7-coordinate geometry to one S(7), two equivalent S(1), two equivalent S(10), and two equivalent S(9) atoms. In the third Pb site, Pb(3) is bonded in a 7-coordinate geometry to one S(5), two equivalent S(12), two equivalent S(2), and two equivalent S(3) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one S(1), one S(2), two equivalent S(4), and two equivalent S(5) atoms to form SnS6 octahedra that share corners with two equivalent Pb(1)S6 pentagonal pyramids, edges with two equivalent Sn(1)S6 octahedra, and edges with two equivalent Nd(2)S7 pentagonal bipyramids. In the second Sn site, Sn(2) is bonded to one S(10), one S(9), two equivalent S(6), and two equivalent S(7) atoms to form SnS6 octahedra that share corners with two equivalent Nd(2)S7 pentagonal bipyramids, edges with two equivalent Sn(2)S6 octahedra, edges with two equivalent Nd(2)S7 pentagonal bipyramids, and edges with two equivalent Pb(1)S6 pentagonal pyramids. In the third Sn site, Sn(3) is bonded to one S(11), one S(12), one S(3), and two equivalent S(8) atoms to form SnS5 trigonal bipyramids that share corners with two equivalent Pb(1)S6 pentagonal pyramids and corners with two equivalent Sn(3)S5 trigonal bipyramids. There are twelve inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to two equivalent Nd(2), two equivalent Pb(2), and one Sn(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent Nd(1), two equivalent Pb(3), and one Sn(1) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to two equivalent Nd(1), two equivalent Pb(3), and one Sn(3) atom. In the fourth S site, S(4) is bonded to one Nd(1), one Pb(1), and two equivalent Sn(1) atoms to form distorted SNdSn2Pb trigonal pyramids that share corners with two equivalent S(9)SnPb4 square pyramids,  a cornercorner with one S(6)NdSn2Pb trigonal pyramid, corners with two equivalent S(4)NdSn2Pb trigonal pyramids, corners with two equivalent S(5)NdSn2Pb trigonal pyramids, and  an edgeedge with one S(5)NdSn2Pb trigonal pyramid. In the fifth S site, S(5) is bonded to one Nd(2), one Pb(3), and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing SNdSn2Pb trigonal pyramids. In the sixth S site, S(6) is bonded to one Nd(2), one Pb(1), and two equivalent Sn(2) atoms to form distorted SNdSn2Pb trigonal pyramids that share  a cornercorner with one S(4)NdSn2Pb trigonal pyramid,  a cornercorner with one S(5)NdSn2Pb trigonal pyramid, corners with two equivalent S(6)NdSn2Pb trigonal pyramids, and edges with two equivalent S(9)SnPb4 square pyramids. In the seventh S site, S(7) is bonded in a 3-coordinate geometry to one Nd(2), one Pb(2), and two equivalent Sn(2) atoms. In the eighth S site, S(8) is bonded in a 2-coordinate geometry to one Nd(1) and two equivalent Sn(3) atoms. In the ninth S site, S(9) is bonded to two equivalent Pb(1), two equivalent Pb(2), and one Sn(2) atom to form distorted SSnPb4 square pyramids that share corners with two equivalent S(4)NdSn2Pb trigonal pyramids, edges with two equivalent S(9)SnPb4 square pyramids, and edges with two equivalent S(6)NdSn2Pb trigonal pyramids. In the tenth S site, S(10) is bonded in a 5-coordinate geometry to two equivalent Nd(2), two equivalent Pb(2), and one Sn(2) atom. In the eleventh S site, S(11) is bonded in a 5-coordinate geometry to two equivalent Nd(1), two equivalent Pb(1), and one Sn(3) atom. In the twelfth S site, S(12) is bonded in a distorted single-bond geometry to two equivalent Pb(3) and one Sn(3) atom.
Nd2Sn3(PbS4)3 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one S(4), one S(8), two equivalent S(11), two equivalent S(2), and two equivalent S(3) atoms. The Nd(1)-S(4) bond length is 3.20 Å. The Nd(1)-S(8) bond length is 3.26 Å. Both Nd(1)-S(11) bond lengths are 2.95 Å. Both Nd(1)-S(2) bond lengths are 2.94 Å. Both Nd(1)-S(3) bond lengths are 2.90 Å. In the second Nd site, Nd(2) is bonded to one S(5), one S(6), one S(7), two equivalent S(1), and two equivalent S(10) atoms to form distorted NdS7 pentagonal bipyramids that share corners with two equivalent Sn(2)S6 octahedra,  a cornercorner with one Pb(1)S6 pentagonal pyramid, edges with two equivalent Sn(1)S6 octahedra, edges with two equivalent Sn(2)S6 octahedra, and edges with two equivalent Nd(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 50°. The Nd(2)-S(5) bond length is 2.88 Å. The Nd(2)-S(6) bond length is 2.88 Å. The Nd(2)-S(7) bond length is 2.89 Å. Both Nd(2)-S(1) bond lengths are 2.87 Å. Both Nd(2)-S(10) bond lengths are 2.88 Å. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one S(4), one S(6), two equivalent S(11), and two equivalent S(9) atoms to form distorted PbS6 pentagonal pyramids that share corners with two equivalent Sn(1)S6 octahedra,  a cornercorner with one Nd(2)S7 pentagonal bipyramid, corners with two equivalent Sn(3)S5 trigonal bipyramids, edges with two equivalent Sn(2)S6 octahedra, and edges with two equivalent Pb(1)S6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 50°. The Pb(1)-S(4) bond length is 3.03 Å. The Pb(1)-S(6) bond length is 3.05 Å. Both Pb(1)-S(11) bond lengths are 3.09 Å. Both Pb(1)-S(9) bond lengths are 2.97 Å. In the second Pb site, Pb(2) is bonded in a 7-coordinate geometry to one S(7), two equivalent S(1), two equivalent S(10), and two equivalent S(9) atoms. The Pb(2)-S(7) bond length is 3.16 Å. Both Pb(2)-S(1) bond lengths are 3.20 Å. Both Pb(2)-S(10) bond lengths are 3.11 Å. Both Pb(2)-S(9) bond lengths are 2.96 Å. In the third Pb site, Pb(3) is bonded in a 7-coordinate geometry to one S(5), two equivalent S(12), two equivalent S(2), and two equivalent S(3) atoms. The Pb(3)-S(5) bond length is 2.89 Å. Both Pb(3)-S(12) bond lengths are 3.02 Å. Both Pb(3)-S(2) bond lengths are 3.17 Å. Both Pb(3)-S(3) bond lengths are 3.19 Å. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one S(1), one S(2), two equivalent S(4), and two equivalent S(5) atoms to form SnS6 octahedra that share corners with two equivalent Pb(1)S6 pentagonal pyramids, edges with two equivalent Sn(1)S6 octahedra, and edges with two equivalent Nd(2)S7 pentagonal bipyramids. The Sn(1)-S(1) bond length is 2.57 Å. The Sn(1)-S(2) bond length is 2.54 Å. Both Sn(1)-S(4) bond lengths are 2.61 Å. Both Sn(1)-S(5) bond lengths are 2.66 Å. In the second Sn site, Sn(2) is bonded to one S(10), one S(9), two equivalent S(6), and two equivalent S(7) atoms to form SnS6 octahedra that share corners with two equivalent Nd(2)S7 pentagonal bipyramids, edges with two equivalent Sn(2)S6 octahedra, edges with two equivalent Nd(2)S7 pentagonal bipyramids, and edges with two equivalent Pb(1)S6 pentagonal pyramids. The Sn(2)-S(10) bond length is 2.56 Å. The Sn(2)-S(9) bond length is 2.54 Å. Both Sn(2)-S(6) bond lengths are 2.64 Å. Both Sn(2)-S(7) bond lengths are 2.63 Å. In the third Sn site, Sn(3) is bonded to one S(11), one S(12), one S(3), and two equivalent S(8) atoms to form SnS5 trigonal bipyramids that share corners with two equivalent Pb(1)S6 pentagonal pyramids and corners with two equivalent Sn(3)S5 trigonal bipyramids. The Sn(3)-S(11) bond length is 2.57 Å. The Sn(3)-S(12) bond length is 2.44 Å. The Sn(3)-S(3) bond length is 2.56 Å. Both Sn(3)-S(8) bond lengths are 2.50 Å. There are twelve inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to two equivalent Nd(2), two equivalent Pb(2), and one Sn(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent Nd(1), two equivalent Pb(3), and one Sn(1) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to two equivalent Nd(1), two equivalent Pb(3), and one Sn(3) atom. In the fourth S site, S(4) is bonded to one Nd(1), one Pb(1), and two equivalent Sn(1) atoms to form distorted SNdSn2Pb trigonal pyramids that share corners with two equivalent S(9)SnPb4 square pyramids,  a cornercorner with one S(6)NdSn2Pb trigonal pyramid, corners with two equivalent S(4)NdSn2Pb trigonal pyramids, corners with two equivalent S(5)NdSn2Pb trigonal pyramids, and  an edgeedge with one S(5)NdSn2Pb trigonal pyramid. In the fifth S site, S(5) is bonded to one Nd(2), one Pb(3), and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing SNdSn2Pb trigonal pyramids. In the sixth S site, S(6) is bonded to one Nd(2), one Pb(1), and two equivalent Sn(2) atoms to form distorted SNdSn2Pb trigonal pyramids that share  a cornercorner with one S(4)NdSn2Pb trigonal pyramid,  a cornercorner with one S(5)NdSn2Pb trigonal pyramid, corners with two equivalent S(6)NdSn2Pb trigonal pyramids, and edges with two equivalent S(9)SnPb4 square pyramids. In the seventh S site, S(7) is bonded in a 3-coordinate geometry to one Nd(2), one Pb(2), and two equivalent Sn(2) atoms. In the eighth S site, S(8) is bonded in a 2-coordinate geometry to one Nd(1) and two equivalent Sn(3) atoms. In the ninth S site, S(9) is bonded to two equivalent Pb(1), two equivalent Pb(2), and one Sn(2) atom to form distorted SSnPb4 square pyramids that share corners with two equivalent S(4)NdSn2Pb trigonal pyramids, edges with two equivalent S(9)SnPb4 square pyramids, and edges with two equivalent S(6)NdSn2Pb trigonal pyramids. In the tenth S site, S(10) is bonded in a 5-coordinate geometry to two equivalent Nd(2), two equivalent Pb(2), and one Sn(2) atom. In the eleventh S site, S(11) is bonded in a 5-coordinate geometry to two equivalent Nd(1), two equivalent Pb(1), and one Sn(3) atom. In the twelfth S site, S(12) is bonded in a distorted single-bond geometry to two equivalent Pb(3) and one Sn(3) atom.