Nd(HoS2)3 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to one S(2), one S(5), two equivalent S(6), and three equivalent S(1) atoms to form distorted HoS7 pentagonal bipyramids that share  a cornercorner with one Ho(2)S6 octahedra, corners with two equivalent Ho(3)S6 octahedra, edges with two equivalent Ho(2)S6 octahedra, and edges with four equivalent Ho(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 39-51°. In the second Ho site, Ho(2) is bonded to one S(1), two equivalent S(5), and three equivalent S(3) atoms to form HoS6 octahedra that share corners with three equivalent Ho(3)S6 octahedra,  a cornercorner with one Ho(1)S7 pentagonal bipyramid, edges with four equivalent Ho(2)S6 octahedra, and edges with two equivalent Ho(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 55-61°. In the third Ho site, Ho(3) is bonded to one S(3), two equivalent S(2), and three equivalent S(4) atoms to form HoS6 octahedra that share corners with three equivalent Ho(2)S6 octahedra, corners with two equivalent Ho(1)S7 pentagonal bipyramids, and edges with four equivalent Ho(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-61°. 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 six inequivalent S sites. In the first S site, S(1) is bonded to one Ho(2) and three equivalent Ho(1) atoms to form distorted SHo4 trigonal pyramids that share  a cornercorner with one S(5)Nd2Ho3 trigonal bipyramid, corners with four equivalent S(6)Nd3Ho2 trigonal bipyramids, corners with two equivalent S(1)Ho4 trigonal pyramids, corners with three equivalent S(2)NdHo3 trigonal pyramids,  an edgeedge with one S(6)Nd3Ho2 trigonal bipyramid, edges with two equivalent S(5)Nd2Ho3 trigonal bipyramids, and edges with two equivalent S(1)Ho4 trigonal pyramids. In the second S site, S(2) is bonded to one Ho(1), two equivalent Ho(3), and one Nd(1) atom to form distorted SNdHo3 trigonal pyramids that share corners with two equivalent S(4)Nd2Ho3 square pyramids,  a cornercorner with one S(6)Nd3Ho2 trigonal bipyramid, corners with three equivalent S(5)Nd2Ho3 trigonal bipyramids, corners with two equivalent S(2)NdHo3 trigonal pyramids, corners with three equivalent S(1)Ho4 trigonal pyramids, edges with three equivalent S(4)Nd2Ho3 square pyramids, and edges with two equivalent S(6)Nd3Ho2 trigonal bipyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Ho(3) and three equivalent Ho(2) atoms. In the fourth S site, S(4) is bonded to three equivalent Ho(3) and two equivalent Nd(1) atoms to form SNd2Ho3 square pyramids that share corners with two equivalent S(5)Nd2Ho3 trigonal bipyramids, corners with four equivalent S(6)Nd3Ho2 trigonal bipyramids, corners with two equivalent S(2)NdHo3 trigonal pyramids, edges with four equivalent S(4)Nd2Ho3 square pyramids,  an edgeedge with one S(5)Nd2Ho3 trigonal bipyramid,  an edgeedge with one S(6)Nd3Ho2 trigonal bipyramid, and edges with three equivalent S(2)NdHo3 trigonal pyramids. In the fifth S site, S(5) is bonded to one Ho(1), two equivalent Ho(2), and two equivalent Nd(1) atoms to form SNd2Ho3 trigonal bipyramids that share corners with two equivalent S(4)Nd2Ho3 square pyramids, corners with two equivalent S(6)Nd3Ho2 trigonal bipyramids,  a cornercorner with one S(1)Ho4 trigonal pyramid, corners with three equivalent S(2)NdHo3 trigonal pyramids,  an edgeedge with one S(4)Nd2Ho3 square pyramid, edges with two equivalent S(5)Nd2Ho3 trigonal bipyramids, edges with three equivalent S(6)Nd3Ho2 trigonal bipyramids, and edges with two equivalent S(1)Ho4 trigonal pyramids. In the sixth S site, S(6) is bonded to two equivalent Ho(1) and three equivalent Nd(1) atoms to form distorted SNd3Ho2 trigonal bipyramids that share corners with four equivalent S(4)Nd2Ho3 square pyramids, corners with two equivalent S(5)Nd2Ho3 trigonal bipyramids,  a cornercorner with one S(2)NdHo3 trigonal pyramid, corners with four equivalent S(1)Ho4 trigonal pyramids,  an edgeedge with one S(4)Nd2Ho3 square pyramid, edges with three equivalent S(5)Nd2Ho3 trigonal bipyramids, edges with four equivalent S(6)Nd3Ho2 trigonal bipyramids,  an edgeedge with one S(1)Ho4 trigonal pyramid, and edges with two equivalent S(2)NdHo3 trigonal pyramids.
Nd(HoS2)3 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to one S(2), one S(5), two equivalent S(6), and three equivalent S(1) atoms to form distorted HoS7 pentagonal bipyramids that share  a cornercorner with one Ho(2)S6 octahedra, corners with two equivalent Ho(3)S6 octahedra, edges with two equivalent Ho(2)S6 octahedra, and edges with four equivalent Ho(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 39-51°. The Ho(1)-S(2) bond length is 2.70 Å. The Ho(1)-S(5) bond length is 2.85 Å. Both Ho(1)-S(6) bond lengths are 2.91 Å. There are two shorter (2.68 Å) and one longer (2.88 Å) Ho(1)-S(1) bond length. In the second Ho site, Ho(2) is bonded to one S(1), two equivalent S(5), and three equivalent S(3) atoms to form HoS6 octahedra that share corners with three equivalent Ho(3)S6 octahedra,  a cornercorner with one Ho(1)S7 pentagonal bipyramid, edges with four equivalent Ho(2)S6 octahedra, and edges with two equivalent Ho(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 55-61°. The Ho(2)-S(1) bond length is 2.66 Å. Both Ho(2)-S(5) bond lengths are 2.76 Å. There are two shorter (2.70 Å) and one longer (2.76 Å) Ho(2)-S(3) bond length. In the third Ho site, Ho(3) is bonded to one S(3), two equivalent S(2), and three equivalent S(4) atoms to form HoS6 octahedra that share corners with three equivalent Ho(2)S6 octahedra, corners with two equivalent Ho(1)S7 pentagonal bipyramids, and edges with four equivalent Ho(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-61°. The Ho(3)-S(3) bond length is 2.69 Å. Both Ho(3)-S(2) bond lengths are 2.64 Å. There is one shorter (2.71 Å) and two longer (2.78 Å) Ho(3)-S(4) bond lengths. 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 3.04 Å. Both Nd(1)-S(5) bond lengths are 3.03 Å. There are two shorter (2.89 Å) and one longer (2.95 Å) Nd(1)-S(6) bond length. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Ho(2) and three equivalent Ho(1) atoms to form distorted SHo4 trigonal pyramids that share  a cornercorner with one S(5)Nd2Ho3 trigonal bipyramid, corners with four equivalent S(6)Nd3Ho2 trigonal bipyramids, corners with two equivalent S(1)Ho4 trigonal pyramids, corners with three equivalent S(2)NdHo3 trigonal pyramids,  an edgeedge with one S(6)Nd3Ho2 trigonal bipyramid, edges with two equivalent S(5)Nd2Ho3 trigonal bipyramids, and edges with two equivalent S(1)Ho4 trigonal pyramids. In the second S site, S(2) is bonded to one Ho(1), two equivalent Ho(3), and one Nd(1) atom to form distorted SNdHo3 trigonal pyramids that share corners with two equivalent S(4)Nd2Ho3 square pyramids,  a cornercorner with one S(6)Nd3Ho2 trigonal bipyramid, corners with three equivalent S(5)Nd2Ho3 trigonal bipyramids, corners with two equivalent S(2)NdHo3 trigonal pyramids, corners with three equivalent S(1)Ho4 trigonal pyramids, edges with three equivalent S(4)Nd2Ho3 square pyramids, and edges with two equivalent S(6)Nd3Ho2 trigonal bipyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Ho(3) and three equivalent Ho(2) atoms. In the fourth S site, S(4) is bonded to three equivalent Ho(3) and two equivalent Nd(1) atoms to form SNd2Ho3 square pyramids that share corners with two equivalent S(5)Nd2Ho3 trigonal bipyramids, corners with four equivalent S(6)Nd3Ho2 trigonal bipyramids, corners with two equivalent S(2)NdHo3 trigonal pyramids, edges with four equivalent S(4)Nd2Ho3 square pyramids,  an edgeedge with one S(5)Nd2Ho3 trigonal bipyramid,  an edgeedge with one S(6)Nd3Ho2 trigonal bipyramid, and edges with three equivalent S(2)NdHo3 trigonal pyramids. In the fifth S site, S(5) is bonded to one Ho(1), two equivalent Ho(2), and two equivalent Nd(1) atoms to form SNd2Ho3 trigonal bipyramids that share corners with two equivalent S(4)Nd2Ho3 square pyramids, corners with two equivalent S(6)Nd3Ho2 trigonal bipyramids,  a cornercorner with one S(1)Ho4 trigonal pyramid, corners with three equivalent S(2)NdHo3 trigonal pyramids,  an edgeedge with one S(4)Nd2Ho3 square pyramid, edges with two equivalent S(5)Nd2Ho3 trigonal bipyramids, edges with three equivalent S(6)Nd3Ho2 trigonal bipyramids, and edges with two equivalent S(1)Ho4 trigonal pyramids. In the sixth S site, S(6) is bonded to two equivalent Ho(1) and three equivalent Nd(1) atoms to form distorted SNd3Ho2 trigonal bipyramids that share corners with four equivalent S(4)Nd2Ho3 square pyramids, corners with two equivalent S(5)Nd2Ho3 trigonal bipyramids,  a cornercorner with one S(2)NdHo3 trigonal pyramid, corners with four equivalent S(1)Ho4 trigonal pyramids,  an edgeedge with one S(4)Nd2Ho3 square pyramid, edges with three equivalent S(5)Nd2Ho3 trigonal bipyramids, edges with four equivalent S(6)Nd3Ho2 trigonal bipyramids,  an edgeedge with one S(1)Ho4 trigonal pyramid, and edges with two equivalent S(2)NdHo3 trigonal pyramids.