Nd(YS2)3 crystallizes in the monoclinic P2_1/m space group. Nd(1) is bonded in a 8-coordinate geometry to one S(2), two equivalent S(4), two equivalent S(5), and three equivalent S(6) atoms. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded to one S(2), one S(5), two equivalent S(6), and three equivalent S(1) atoms to form distorted YS7 pentagonal bipyramids that share  a cornercorner with one Y(2)S6 octahedra, corners with two equivalent Y(3)S6 octahedra, edges with two equivalent Y(2)S6 octahedra, and edges with four equivalent Y(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 39-51°. In the second Y site, Y(2) is bonded to one S(1), two equivalent S(5), and three equivalent S(3) atoms to form YS6 octahedra that share corners with three equivalent Y(3)S6 octahedra,  a cornercorner with one Y(1)S7 pentagonal bipyramid, edges with four equivalent Y(2)S6 octahedra, and edges with two equivalent Y(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 55-61°. In the third Y site, Y(3) is bonded to one S(3), two equivalent S(2), and three equivalent S(4) atoms to form YS6 octahedra that share corners with three equivalent Y(2)S6 octahedra, corners with two equivalent Y(1)S7 pentagonal bipyramids, and edges with four equivalent Y(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-61°. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Y(2) and three equivalent Y(1) atoms to form distorted SY4 trigonal pyramids that share  a cornercorner with one S(5)Nd2Y3 trigonal bipyramid, corners with four equivalent S(6)Nd3Y2 trigonal bipyramids, corners with two equivalent S(1)Y4 trigonal pyramids, corners with three equivalent S(2)NdY3 trigonal pyramids,  an edgeedge with one S(6)Nd3Y2 trigonal bipyramid, edges with two equivalent S(5)Nd2Y3 trigonal bipyramids, and edges with two equivalent S(1)Y4 trigonal pyramids. In the second S site, S(2) is bonded to one Nd(1), one Y(1), and two equivalent Y(3) atoms to form distorted SNdY3 trigonal pyramids that share corners with two equivalent S(4)Nd2Y3 square pyramids,  a cornercorner with one S(6)Nd3Y2 trigonal bipyramid, corners with three equivalent S(5)Nd2Y3 trigonal bipyramids, corners with two equivalent S(2)NdY3 trigonal pyramids, corners with three equivalent S(1)Y4 trigonal pyramids, edges with three equivalent S(4)Nd2Y3 square pyramids, and edges with two equivalent S(6)Nd3Y2 trigonal bipyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Y(3) and three equivalent Y(2) atoms. In the fourth S site, S(4) is bonded to two equivalent Nd(1) and three equivalent Y(3) atoms to form SNd2Y3 square pyramids that share corners with two equivalent S(5)Nd2Y3 trigonal bipyramids, corners with four equivalent S(6)Nd3Y2 trigonal bipyramids, corners with two equivalent S(2)NdY3 trigonal pyramids, edges with four equivalent S(4)Nd2Y3 square pyramids,  an edgeedge with one S(5)Nd2Y3 trigonal bipyramid,  an edgeedge with one S(6)Nd3Y2 trigonal bipyramid, and edges with three equivalent S(2)NdY3 trigonal pyramids. In the fifth S site, S(5) is bonded to two equivalent Nd(1), one Y(1), and two equivalent Y(2) atoms to form SNd2Y3 trigonal bipyramids that share corners with two equivalent S(4)Nd2Y3 square pyramids, corners with two equivalent S(6)Nd3Y2 trigonal bipyramids,  a cornercorner with one S(1)Y4 trigonal pyramid, corners with three equivalent S(2)NdY3 trigonal pyramids,  an edgeedge with one S(4)Nd2Y3 square pyramid, edges with two equivalent S(5)Nd2Y3 trigonal bipyramids, edges with three equivalent S(6)Nd3Y2 trigonal bipyramids, and edges with two equivalent S(1)Y4 trigonal pyramids. In the sixth S site, S(6) is bonded to three equivalent Nd(1) and two equivalent Y(1) atoms to form distorted SNd3Y2 trigonal bipyramids that share corners with four equivalent S(4)Nd2Y3 square pyramids, corners with two equivalent S(5)Nd2Y3 trigonal bipyramids,  a cornercorner with one S(2)NdY3 trigonal pyramid, corners with four equivalent S(1)Y4 trigonal pyramids,  an edgeedge with one S(4)Nd2Y3 square pyramid, edges with three equivalent S(5)Nd2Y3 trigonal bipyramids, edges with four equivalent S(6)Nd3Y2 trigonal bipyramids,  an edgeedge with one S(1)Y4 trigonal pyramid, and edges with two equivalent S(2)NdY3 trigonal pyramids.
Nd(YS2)3 crystallizes in the monoclinic P2_1/m space group. Nd(1) is bonded in a 8-coordinate geometry to one S(2), two equivalent S(4), two equivalent S(5), and three equivalent S(6) atoms. The Nd(1)-S(2) bond length is 2.97 Å. Both Nd(1)-S(4) bond lengths are 3.05 Å. Both Nd(1)-S(5) bond lengths are 3.04 Å. There are two shorter (2.90 Å) and one longer (2.95 Å) Nd(1)-S(6) bond length. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded to one S(2), one S(5), two equivalent S(6), and three equivalent S(1) atoms to form distorted YS7 pentagonal bipyramids that share  a cornercorner with one Y(2)S6 octahedra, corners with two equivalent Y(3)S6 octahedra, edges with two equivalent Y(2)S6 octahedra, and edges with four equivalent Y(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 39-51°. The Y(1)-S(2) bond length is 2.72 Å. The Y(1)-S(5) bond length is 2.86 Å. Both Y(1)-S(6) bond lengths are 2.93 Å. There are two shorter (2.70 Å) and one longer (2.90 Å) Y(1)-S(1) bond length. In the second Y site, Y(2) is bonded to one S(1), two equivalent S(5), and three equivalent S(3) atoms to form YS6 octahedra that share corners with three equivalent Y(3)S6 octahedra,  a cornercorner with one Y(1)S7 pentagonal bipyramid, edges with four equivalent Y(2)S6 octahedra, and edges with two equivalent Y(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 55-61°. The Y(2)-S(1) bond length is 2.67 Å. Both Y(2)-S(5) bond lengths are 2.78 Å. There are two shorter (2.72 Å) and one longer (2.77 Å) Y(2)-S(3) bond length. In the third Y site, Y(3) is bonded to one S(3), two equivalent S(2), and three equivalent S(4) atoms to form YS6 octahedra that share corners with three equivalent Y(2)S6 octahedra, corners with two equivalent Y(1)S7 pentagonal bipyramids, and edges with four equivalent Y(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-61°. The Y(3)-S(3) bond length is 2.71 Å. Both Y(3)-S(2) bond lengths are 2.66 Å. There is one shorter (2.73 Å) and two longer (2.79 Å) Y(3)-S(4) bond lengths. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Y(2) and three equivalent Y(1) atoms to form distorted SY4 trigonal pyramids that share  a cornercorner with one S(5)Nd2Y3 trigonal bipyramid, corners with four equivalent S(6)Nd3Y2 trigonal bipyramids, corners with two equivalent S(1)Y4 trigonal pyramids, corners with three equivalent S(2)NdY3 trigonal pyramids,  an edgeedge with one S(6)Nd3Y2 trigonal bipyramid, edges with two equivalent S(5)Nd2Y3 trigonal bipyramids, and edges with two equivalent S(1)Y4 trigonal pyramids. In the second S site, S(2) is bonded to one Nd(1), one Y(1), and two equivalent Y(3) atoms to form distorted SNdY3 trigonal pyramids that share corners with two equivalent S(4)Nd2Y3 square pyramids,  a cornercorner with one S(6)Nd3Y2 trigonal bipyramid, corners with three equivalent S(5)Nd2Y3 trigonal bipyramids, corners with two equivalent S(2)NdY3 trigonal pyramids, corners with three equivalent S(1)Y4 trigonal pyramids, edges with three equivalent S(4)Nd2Y3 square pyramids, and edges with two equivalent S(6)Nd3Y2 trigonal bipyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Y(3) and three equivalent Y(2) atoms. In the fourth S site, S(4) is bonded to two equivalent Nd(1) and three equivalent Y(3) atoms to form SNd2Y3 square pyramids that share corners with two equivalent S(5)Nd2Y3 trigonal bipyramids, corners with four equivalent S(6)Nd3Y2 trigonal bipyramids, corners with two equivalent S(2)NdY3 trigonal pyramids, edges with four equivalent S(4)Nd2Y3 square pyramids,  an edgeedge with one S(5)Nd2Y3 trigonal bipyramid,  an edgeedge with one S(6)Nd3Y2 trigonal bipyramid, and edges with three equivalent S(2)NdY3 trigonal pyramids. In the fifth S site, S(5) is bonded to two equivalent Nd(1), one Y(1), and two equivalent Y(2) atoms to form SNd2Y3 trigonal bipyramids that share corners with two equivalent S(4)Nd2Y3 square pyramids, corners with two equivalent S(6)Nd3Y2 trigonal bipyramids,  a cornercorner with one S(1)Y4 trigonal pyramid, corners with three equivalent S(2)NdY3 trigonal pyramids,  an edgeedge with one S(4)Nd2Y3 square pyramid, edges with two equivalent S(5)Nd2Y3 trigonal bipyramids, edges with three equivalent S(6)Nd3Y2 trigonal bipyramids, and edges with two equivalent S(1)Y4 trigonal pyramids. In the sixth S site, S(6) is bonded to three equivalent Nd(1) and two equivalent Y(1) atoms to form distorted SNd3Y2 trigonal bipyramids that share corners with four equivalent S(4)Nd2Y3 square pyramids, corners with two equivalent S(5)Nd2Y3 trigonal bipyramids,  a cornercorner with one S(2)NdY3 trigonal pyramid, corners with four equivalent S(1)Y4 trigonal pyramids,  an edgeedge with one S(4)Nd2Y3 square pyramid, edges with three equivalent S(5)Nd2Y3 trigonal bipyramids, edges with four equivalent S(6)Nd3Y2 trigonal bipyramids,  an edgeedge with one S(1)Y4 trigonal pyramid, and edges with two equivalent S(2)NdY3 trigonal pyramids.