Gd(LuS2)3 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to one S(2), two equivalent S(4), and three equivalent S(6) atoms to form LuS6 octahedra that share corners with three equivalent Lu(3)S6 octahedra,  a cornercorner with one Lu(2)S7 pentagonal bipyramid, edges with four equivalent Lu(1)S6 octahedra, and edges with two equivalent Lu(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 55-61°. In the second Lu site, Lu(2) is bonded to one S(3), one S(4), two equivalent S(1), and three equivalent S(2) atoms to form distorted LuS7 pentagonal bipyramids that share  a cornercorner with one Lu(1)S6 octahedra, corners with two equivalent Lu(3)S6 octahedra, edges with two equivalent Lu(1)S6 octahedra, and edges with four equivalent Lu(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 38-50°. In the third Lu site, Lu(3) is bonded to one S(6), two equivalent S(3), and three equivalent S(5) atoms to form LuS6 octahedra that share corners with three equivalent Lu(1)S6 octahedra, corners with two equivalent Lu(2)S7 pentagonal bipyramids, and edges with four equivalent Lu(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-61°. Gd(1) is bonded in a 8-coordinate geometry to one S(3), two equivalent S(4), two equivalent S(5), and three equivalent S(1) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Lu(2) and three equivalent Gd(1) atoms to form distorted SGd3Lu2 trigonal bipyramids that share corners with four equivalent S(5)Gd2Lu3 square pyramids, corners with two equivalent S(4)Gd2Lu3 trigonal bipyramids,  a cornercorner with one S(3)GdLu3 trigonal pyramid, corners with four equivalent S(2)Lu4 trigonal pyramids,  an edgeedge with one S(5)Gd2Lu3 square pyramid, edges with three equivalent S(4)Gd2Lu3 trigonal bipyramids, edges with four equivalent S(1)Gd3Lu2 trigonal bipyramids,  an edgeedge with one S(2)Lu4 trigonal pyramid, and edges with two equivalent S(3)GdLu3 trigonal pyramids. In the second S site, S(2) is bonded to one Lu(1) and three equivalent Lu(2) atoms to form distorted SLu4 trigonal pyramids that share  a cornercorner with one S(4)Gd2Lu3 trigonal bipyramid, corners with four equivalent S(1)Gd3Lu2 trigonal bipyramids, corners with two equivalent S(2)Lu4 trigonal pyramids, corners with three equivalent S(3)GdLu3 trigonal pyramids,  an edgeedge with one S(1)Gd3Lu2 trigonal bipyramid, edges with two equivalent S(4)Gd2Lu3 trigonal bipyramids, and edges with two equivalent S(2)Lu4 trigonal pyramids. In the third S site, S(3) is bonded to one Lu(2), two equivalent Lu(3), and one Gd(1) atom to form distorted SGdLu3 trigonal pyramids that share corners with two equivalent S(5)Gd2Lu3 square pyramids,  a cornercorner with one S(1)Gd3Lu2 trigonal bipyramid, corners with three equivalent S(4)Gd2Lu3 trigonal bipyramids, corners with two equivalent S(3)GdLu3 trigonal pyramids, corners with three equivalent S(2)Lu4 trigonal pyramids, edges with three equivalent S(5)Gd2Lu3 square pyramids, and edges with two equivalent S(1)Gd3Lu2 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Lu(2), two equivalent Lu(1), and two equivalent Gd(1) atoms to form SGd2Lu3 trigonal bipyramids that share corners with two equivalent S(5)Gd2Lu3 square pyramids, corners with two equivalent S(1)Gd3Lu2 trigonal bipyramids,  a cornercorner with one S(2)Lu4 trigonal pyramid, corners with three equivalent S(3)GdLu3 trigonal pyramids,  an edgeedge with one S(5)Gd2Lu3 square pyramid, edges with two equivalent S(4)Gd2Lu3 trigonal bipyramids, edges with three equivalent S(1)Gd3Lu2 trigonal bipyramids, and edges with two equivalent S(2)Lu4 trigonal pyramids. In the fifth S site, S(5) is bonded to three equivalent Lu(3) and two equivalent Gd(1) atoms to form SGd2Lu3 square pyramids that share corners with two equivalent S(4)Gd2Lu3 trigonal bipyramids, corners with four equivalent S(1)Gd3Lu2 trigonal bipyramids, corners with two equivalent S(3)GdLu3 trigonal pyramids, edges with four equivalent S(5)Gd2Lu3 square pyramids,  an edgeedge with one S(4)Gd2Lu3 trigonal bipyramid,  an edgeedge with one S(1)Gd3Lu2 trigonal bipyramid, and edges with three equivalent S(3)GdLu3 trigonal pyramids. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one Lu(3) and three equivalent Lu(1) atoms.
Gd(LuS2)3 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to one S(2), two equivalent S(4), and three equivalent S(6) atoms to form LuS6 octahedra that share corners with three equivalent Lu(3)S6 octahedra,  a cornercorner with one Lu(2)S7 pentagonal bipyramid, edges with four equivalent Lu(1)S6 octahedra, and edges with two equivalent Lu(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 55-61°. The Lu(1)-S(2) bond length is 2.61 Å. Both Lu(1)-S(4) bond lengths are 2.71 Å. There are two shorter (2.65 Å) and one longer (2.71 Å) Lu(1)-S(6) bond length. In the second Lu site, Lu(2) is bonded to one S(3), one S(4), two equivalent S(1), and three equivalent S(2) atoms to form distorted LuS7 pentagonal bipyramids that share  a cornercorner with one Lu(1)S6 octahedra, corners with two equivalent Lu(3)S6 octahedra, edges with two equivalent Lu(1)S6 octahedra, and edges with four equivalent Lu(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 38-50°. The Lu(2)-S(3) bond length is 2.65 Å. The Lu(2)-S(4) bond length is 2.80 Å. Both Lu(2)-S(1) bond lengths are 2.87 Å. There are two shorter (2.62 Å) and one longer (2.87 Å) Lu(2)-S(2) bond length. In the third Lu site, Lu(3) is bonded to one S(6), two equivalent S(3), and three equivalent S(5) atoms to form LuS6 octahedra that share corners with three equivalent Lu(1)S6 octahedra, corners with two equivalent Lu(2)S7 pentagonal bipyramids, and edges with four equivalent Lu(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-61°. The Lu(3)-S(6) bond length is 2.65 Å. Both Lu(3)-S(3) bond lengths are 2.59 Å. There is one shorter (2.66 Å) and two longer (2.72 Å) Lu(3)-S(5) bond lengths. Gd(1) is bonded in a 8-coordinate geometry to one S(3), two equivalent S(4), two equivalent S(5), and three equivalent S(1) atoms. The Gd(1)-S(3) bond length is 2.92 Å. Both Gd(1)-S(4) bond lengths are 2.97 Å. Both Gd(1)-S(5) bond lengths are 2.98 Å. There are two shorter (2.82 Å) and one longer (2.89 Å) Gd(1)-S(1) bond length. There are six inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Lu(2) and three equivalent Gd(1) atoms to form distorted SGd3Lu2 trigonal bipyramids that share corners with four equivalent S(5)Gd2Lu3 square pyramids, corners with two equivalent S(4)Gd2Lu3 trigonal bipyramids,  a cornercorner with one S(3)GdLu3 trigonal pyramid, corners with four equivalent S(2)Lu4 trigonal pyramids,  an edgeedge with one S(5)Gd2Lu3 square pyramid, edges with three equivalent S(4)Gd2Lu3 trigonal bipyramids, edges with four equivalent S(1)Gd3Lu2 trigonal bipyramids,  an edgeedge with one S(2)Lu4 trigonal pyramid, and edges with two equivalent S(3)GdLu3 trigonal pyramids. In the second S site, S(2) is bonded to one Lu(1) and three equivalent Lu(2) atoms to form distorted SLu4 trigonal pyramids that share  a cornercorner with one S(4)Gd2Lu3 trigonal bipyramid, corners with four equivalent S(1)Gd3Lu2 trigonal bipyramids, corners with two equivalent S(2)Lu4 trigonal pyramids, corners with three equivalent S(3)GdLu3 trigonal pyramids,  an edgeedge with one S(1)Gd3Lu2 trigonal bipyramid, edges with two equivalent S(4)Gd2Lu3 trigonal bipyramids, and edges with two equivalent S(2)Lu4 trigonal pyramids. In the third S site, S(3) is bonded to one Lu(2), two equivalent Lu(3), and one Gd(1) atom to form distorted SGdLu3 trigonal pyramids that share corners with two equivalent S(5)Gd2Lu3 square pyramids,  a cornercorner with one S(1)Gd3Lu2 trigonal bipyramid, corners with three equivalent S(4)Gd2Lu3 trigonal bipyramids, corners with two equivalent S(3)GdLu3 trigonal pyramids, corners with three equivalent S(2)Lu4 trigonal pyramids, edges with three equivalent S(5)Gd2Lu3 square pyramids, and edges with two equivalent S(1)Gd3Lu2 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Lu(2), two equivalent Lu(1), and two equivalent Gd(1) atoms to form SGd2Lu3 trigonal bipyramids that share corners with two equivalent S(5)Gd2Lu3 square pyramids, corners with two equivalent S(1)Gd3Lu2 trigonal bipyramids,  a cornercorner with one S(2)Lu4 trigonal pyramid, corners with three equivalent S(3)GdLu3 trigonal pyramids,  an edgeedge with one S(5)Gd2Lu3 square pyramid, edges with two equivalent S(4)Gd2Lu3 trigonal bipyramids, edges with three equivalent S(1)Gd3Lu2 trigonal bipyramids, and edges with two equivalent S(2)Lu4 trigonal pyramids. In the fifth S site, S(5) is bonded to three equivalent Lu(3) and two equivalent Gd(1) atoms to form SGd2Lu3 square pyramids that share corners with two equivalent S(4)Gd2Lu3 trigonal bipyramids, corners with four equivalent S(1)Gd3Lu2 trigonal bipyramids, corners with two equivalent S(3)GdLu3 trigonal pyramids, edges with four equivalent S(5)Gd2Lu3 square pyramids,  an edgeedge with one S(4)Gd2Lu3 trigonal bipyramid,  an edgeedge with one S(1)Gd3Lu2 trigonal bipyramid, and edges with three equivalent S(3)GdLu3 trigonal pyramids. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one Lu(3) and three equivalent Lu(1) atoms.