Lu3CrS6 crystallizes in the orthorhombic Pnnm space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 8-coordinate geometry to one S(4), one S(6), two equivalent S(1), two equivalent S(2), and two equivalent S(5) atoms. In the second Lu site, Lu(2) is bonded in a 8-coordinate geometry to one S(4), one S(5), two equivalent S(2), two equivalent S(3), and two equivalent S(6) atoms. In the third Lu site, Lu(3) is bonded to one S(1), one S(2), one S(4), two equivalent S(3), and two equivalent S(5) atoms to form distorted LuS7 pentagonal bipyramids that share  a cornercorner with one Cr(2)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Lu(3)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 35°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(3) and four equivalent S(4) atoms to form CrS6 octahedra that share edges with two equivalent Cr(1)S6 octahedra and edges with four equivalent Lu(3)S7 pentagonal bipyramids. In the second Cr site, Cr(2) is bonded to two equivalent S(1) and four equivalent S(6) atoms to form CrS6 octahedra that share corners with two equivalent Lu(3)S7 pentagonal bipyramids and edges with two equivalent Cr(2)S6 octahedra. There are six inequivalent S sites. In the first S site, S(5) is bonded to one Lu(2), two equivalent Lu(1), and two equivalent Lu(3) atoms to form distorted SLu5 trigonal bipyramids that share  a cornercorner with one S(4)Lu3Cr2 trigonal bipyramid, corners with two equivalent S(2)Lu5 trigonal bipyramids, corners with four equivalent S(3)Lu4Cr trigonal bipyramids, corners with four equivalent S(1)Lu3Cr trigonal pyramids,  an edgeedge with one S(3)Lu4Cr trigonal bipyramid, edges with two equivalent S(4)Lu3Cr2 trigonal bipyramids, edges with two equivalent S(6)Lu3Cr2 trigonal bipyramids, edges with two equivalent S(5)Lu5 trigonal bipyramids, edges with three equivalent S(2)Lu5 trigonal bipyramids, and  an edgeedge with one S(1)Lu3Cr trigonal pyramid. In the second S site, S(6) is bonded to one Lu(1), two equivalent Lu(2), and two equivalent Cr(2) atoms to form distorted SLu3Cr2 trigonal bipyramids that share corners with two equivalent S(6)Lu3Cr2 trigonal bipyramids, corners with two equivalent S(3)Lu4Cr trigonal bipyramids, corners with three equivalent S(4)Lu3Cr2 trigonal bipyramids, corners with four equivalent S(2)Lu5 trigonal bipyramids, corners with two equivalent S(1)Lu3Cr trigonal pyramids,  an edgeedge with one S(3)Lu4Cr trigonal bipyramid,  an edgeedge with one S(2)Lu5 trigonal bipyramid, edges with two equivalent S(5)Lu5 trigonal bipyramids, edges with three equivalent S(6)Lu3Cr2 trigonal bipyramids, and edges with two equivalent S(1)Lu3Cr trigonal pyramids. In the third S site, S(1) is bonded to one Lu(3), two equivalent Lu(1), and one Cr(2) atom to form distorted SLu3Cr trigonal pyramids that share corners with two equivalent S(6)Lu3Cr2 trigonal bipyramids, corners with two equivalent S(3)Lu4Cr trigonal bipyramids, corners with two equivalent S(2)Lu5 trigonal bipyramids, corners with three equivalent S(4)Lu3Cr2 trigonal bipyramids, corners with four equivalent S(5)Lu5 trigonal bipyramids, corners with three equivalent S(1)Lu3Cr trigonal pyramids,  an edgeedge with one S(5)Lu5 trigonal bipyramid, edges with two equivalent S(6)Lu3Cr2 trigonal bipyramids, and  a faceface with one S(2)Lu5 trigonal bipyramid. In the fourth S site, S(2) is bonded to one Lu(3), two equivalent Lu(1), and two equivalent Lu(2) atoms to form distorted SLu5 trigonal bipyramids that share  a cornercorner with one S(4)Lu3Cr2 trigonal bipyramid, corners with two equivalent S(5)Lu5 trigonal bipyramids, corners with four equivalent S(6)Lu3Cr2 trigonal bipyramids, corners with four equivalent S(3)Lu4Cr trigonal bipyramids, corners with two equivalent S(1)Lu3Cr trigonal pyramids,  an edgeedge with one S(6)Lu3Cr2 trigonal bipyramid,  an edgeedge with one S(3)Lu4Cr trigonal bipyramid, edges with two equivalent S(4)Lu3Cr2 trigonal bipyramids, edges with two equivalent S(2)Lu5 trigonal bipyramids, edges with three equivalent S(5)Lu5 trigonal bipyramids, and  a faceface with one S(1)Lu3Cr trigonal pyramid. In the fifth S site, S(3) is bonded to two equivalent Lu(2), two equivalent Lu(3), and one Cr(1) atom to form distorted SLu4Cr trigonal bipyramids that share  a cornercorner with one S(3)Lu4Cr trigonal bipyramid, corners with two equivalent S(6)Lu3Cr2 trigonal bipyramids, corners with four equivalent S(2)Lu5 trigonal bipyramids, corners with four equivalent S(5)Lu5 trigonal bipyramids, corners with two equivalent S(1)Lu3Cr trigonal pyramids,  an edgeedge with one S(6)Lu3Cr2 trigonal bipyramid,  an edgeedge with one S(2)Lu5 trigonal bipyramid,  an edgeedge with one S(5)Lu5 trigonal bipyramid, edges with two equivalent S(3)Lu4Cr trigonal bipyramids, and edges with four equivalent S(4)Lu3Cr2 trigonal bipyramids. In the sixth S site, S(4) is bonded to one Lu(1), one Lu(2), one Lu(3), and two equivalent Cr(1) atoms to form distorted SLu3Cr2 trigonal bipyramids that share  a cornercorner with one S(2)Lu5 trigonal bipyramid,  a cornercorner with one S(5)Lu5 trigonal bipyramid, corners with three equivalent S(6)Lu3Cr2 trigonal bipyramids, corners with four equivalent S(4)Lu3Cr2 trigonal bipyramids, corners with three equivalent S(1)Lu3Cr trigonal pyramids,  an edgeedge with one S(4)Lu3Cr2 trigonal bipyramid, edges with two equivalent S(2)Lu5 trigonal bipyramids, edges with two equivalent S(5)Lu5 trigonal bipyramids, and edges with four equivalent S(3)Lu4Cr trigonal bipyramids.
Lu3CrS6 crystallizes in the orthorhombic Pnnm space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 8-coordinate geometry to one S(4), one S(6), two equivalent S(1), two equivalent S(2), and two equivalent S(5) atoms. The Lu(1)-S(4) bond length is 2.82 Å. The Lu(1)-S(6) bond length is 2.87 Å. Both Lu(1)-S(1) bond lengths are 2.70 Å. Both Lu(1)-S(2) bond lengths are 2.81 Å. Both Lu(1)-S(5) bond lengths are 2.75 Å. In the second Lu site, Lu(2) is bonded in a 8-coordinate geometry to one S(4), one S(5), two equivalent S(2), two equivalent S(3), and two equivalent S(6) atoms. The Lu(2)-S(4) bond length is 3.13 Å. The Lu(2)-S(5) bond length is 2.92 Å. Both Lu(2)-S(2) bond lengths are 2.69 Å. Both Lu(2)-S(3) bond lengths are 2.81 Å. Both Lu(2)-S(6) bond lengths are 2.79 Å. In the third Lu site, Lu(3) is bonded to one S(1), one S(2), one S(4), two equivalent S(3), and two equivalent S(5) atoms to form distorted LuS7 pentagonal bipyramids that share  a cornercorner with one Cr(2)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Lu(3)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 35°. The Lu(3)-S(1) bond length is 2.66 Å. The Lu(3)-S(2) bond length is 2.80 Å. The Lu(3)-S(4) bond length is 2.74 Å. Both Lu(3)-S(3) bond lengths are 2.71 Å. Both Lu(3)-S(5) bond lengths are 2.68 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(3) and four equivalent S(4) atoms to form CrS6 octahedra that share edges with two equivalent Cr(1)S6 octahedra and edges with four equivalent Lu(3)S7 pentagonal bipyramids. Both Cr(1)-S(3) bond lengths are 2.41 Å. All Cr(1)-S(4) bond lengths are 2.43 Å. In the second Cr site, Cr(2) is bonded to two equivalent S(1) and four equivalent S(6) atoms to form CrS6 octahedra that share corners with two equivalent Lu(3)S7 pentagonal bipyramids and edges with two equivalent Cr(2)S6 octahedra. Both Cr(2)-S(1) bond lengths are 2.33 Å. All Cr(2)-S(6) bond lengths are 2.45 Å. There are six inequivalent S sites. In the first S site, S(5) is bonded to one Lu(2), two equivalent Lu(1), and two equivalent Lu(3) atoms to form distorted SLu5 trigonal bipyramids that share  a cornercorner with one S(4)Lu3Cr2 trigonal bipyramid, corners with two equivalent S(2)Lu5 trigonal bipyramids, corners with four equivalent S(3)Lu4Cr trigonal bipyramids, corners with four equivalent S(1)Lu3Cr trigonal pyramids,  an edgeedge with one S(3)Lu4Cr trigonal bipyramid, edges with two equivalent S(4)Lu3Cr2 trigonal bipyramids, edges with two equivalent S(6)Lu3Cr2 trigonal bipyramids, edges with two equivalent S(5)Lu5 trigonal bipyramids, edges with three equivalent S(2)Lu5 trigonal bipyramids, and  an edgeedge with one S(1)Lu3Cr trigonal pyramid. In the second S site, S(6) is bonded to one Lu(1), two equivalent Lu(2), and two equivalent Cr(2) atoms to form distorted SLu3Cr2 trigonal bipyramids that share corners with two equivalent S(6)Lu3Cr2 trigonal bipyramids, corners with two equivalent S(3)Lu4Cr trigonal bipyramids, corners with three equivalent S(4)Lu3Cr2 trigonal bipyramids, corners with four equivalent S(2)Lu5 trigonal bipyramids, corners with two equivalent S(1)Lu3Cr trigonal pyramids,  an edgeedge with one S(3)Lu4Cr trigonal bipyramid,  an edgeedge with one S(2)Lu5 trigonal bipyramid, edges with two equivalent S(5)Lu5 trigonal bipyramids, edges with three equivalent S(6)Lu3Cr2 trigonal bipyramids, and edges with two equivalent S(1)Lu3Cr trigonal pyramids. In the third S site, S(1) is bonded to one Lu(3), two equivalent Lu(1), and one Cr(2) atom to form distorted SLu3Cr trigonal pyramids that share corners with two equivalent S(6)Lu3Cr2 trigonal bipyramids, corners with two equivalent S(3)Lu4Cr trigonal bipyramids, corners with two equivalent S(2)Lu5 trigonal bipyramids, corners with three equivalent S(4)Lu3Cr2 trigonal bipyramids, corners with four equivalent S(5)Lu5 trigonal bipyramids, corners with three equivalent S(1)Lu3Cr trigonal pyramids,  an edgeedge with one S(5)Lu5 trigonal bipyramid, edges with two equivalent S(6)Lu3Cr2 trigonal bipyramids, and  a faceface with one S(2)Lu5 trigonal bipyramid. In the fourth S site, S(2) is bonded to one Lu(3), two equivalent Lu(1), and two equivalent Lu(2) atoms to form distorted SLu5 trigonal bipyramids that share  a cornercorner with one S(4)Lu3Cr2 trigonal bipyramid, corners with two equivalent S(5)Lu5 trigonal bipyramids, corners with four equivalent S(6)Lu3Cr2 trigonal bipyramids, corners with four equivalent S(3)Lu4Cr trigonal bipyramids, corners with two equivalent S(1)Lu3Cr trigonal pyramids,  an edgeedge with one S(6)Lu3Cr2 trigonal bipyramid,  an edgeedge with one S(3)Lu4Cr trigonal bipyramid, edges with two equivalent S(4)Lu3Cr2 trigonal bipyramids, edges with two equivalent S(2)Lu5 trigonal bipyramids, edges with three equivalent S(5)Lu5 trigonal bipyramids, and  a faceface with one S(1)Lu3Cr trigonal pyramid. In the fifth S site, S(3) is bonded to two equivalent Lu(2), two equivalent Lu(3), and one Cr(1) atom to form distorted SLu4Cr trigonal bipyramids that share  a cornercorner with one S(3)Lu4Cr trigonal bipyramid, corners with two equivalent S(6)Lu3Cr2 trigonal bipyramids, corners with four equivalent S(2)Lu5 trigonal bipyramids, corners with four equivalent S(5)Lu5 trigonal bipyramids, corners with two equivalent S(1)Lu3Cr trigonal pyramids,  an edgeedge with one S(6)Lu3Cr2 trigonal bipyramid,  an edgeedge with one S(2)Lu5 trigonal bipyramid,  an edgeedge with one S(5)Lu5 trigonal bipyramid, edges with two equivalent S(3)Lu4Cr trigonal bipyramids, and edges with four equivalent S(4)Lu3Cr2 trigonal bipyramids. In the sixth S site, S(4) is bonded to one Lu(1), one Lu(2), one Lu(3), and two equivalent Cr(1) atoms to form distorted SLu3Cr2 trigonal bipyramids that share  a cornercorner with one S(2)Lu5 trigonal bipyramid,  a cornercorner with one S(5)Lu5 trigonal bipyramid, corners with three equivalent S(6)Lu3Cr2 trigonal bipyramids, corners with four equivalent S(4)Lu3Cr2 trigonal bipyramids, corners with three equivalent S(1)Lu3Cr trigonal pyramids,  an edgeedge with one S(4)Lu3Cr2 trigonal bipyramid, edges with two equivalent S(2)Lu5 trigonal bipyramids, edges with two equivalent S(5)Lu5 trigonal bipyramids, and edges with four equivalent S(3)Lu4Cr trigonal bipyramids.