Y3CrS6 crystallizes in the orthorhombic Pnnm space group. There are three inequivalent Y sites. In the first Y site, Y(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 Y site, Y(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 Y site, Y(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 YS7 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 Y(3)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. 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 Y(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 Y(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 Y(2), two equivalent Y(1), and two equivalent Y(3) atoms to form distorted SY5 trigonal bipyramids that share  a cornercorner with one S(4)Y3Cr2 trigonal bipyramid, corners with two equivalent S(2)Y5 trigonal bipyramids, corners with four equivalent S(3)Y4Cr trigonal bipyramids, corners with four equivalent S(1)Y3Cr trigonal pyramids,  an edgeedge with one S(3)Y4Cr trigonal bipyramid, edges with two equivalent S(4)Y3Cr2 trigonal bipyramids, edges with two equivalent S(6)Y3Cr2 trigonal bipyramids, edges with two equivalent S(5)Y5 trigonal bipyramids, edges with three equivalent S(2)Y5 trigonal bipyramids, and  an edgeedge with one S(1)Y3Cr trigonal pyramid. In the second S site, S(6) is bonded to one Y(1), two equivalent Y(2), and two equivalent Cr(2) atoms to form distorted SY3Cr2 trigonal bipyramids that share corners with two equivalent S(6)Y3Cr2 trigonal bipyramids, corners with two equivalent S(3)Y4Cr trigonal bipyramids, corners with three equivalent S(4)Y3Cr2 trigonal bipyramids, corners with four equivalent S(2)Y5 trigonal bipyramids, corners with two equivalent S(1)Y3Cr trigonal pyramids,  an edgeedge with one S(3)Y4Cr trigonal bipyramid,  an edgeedge with one S(2)Y5 trigonal bipyramid, edges with two equivalent S(5)Y5 trigonal bipyramids, edges with three equivalent S(6)Y3Cr2 trigonal bipyramids, and edges with two equivalent S(1)Y3Cr trigonal pyramids. In the third S site, S(1) is bonded to one Y(3), two equivalent Y(1), and one Cr(2) atom to form distorted SY3Cr trigonal pyramids that share corners with two equivalent S(6)Y3Cr2 trigonal bipyramids, corners with two equivalent S(3)Y4Cr trigonal bipyramids, corners with two equivalent S(2)Y5 trigonal bipyramids, corners with three equivalent S(4)Y3Cr2 trigonal bipyramids, corners with four equivalent S(5)Y5 trigonal bipyramids, corners with three equivalent S(1)Y3Cr trigonal pyramids,  an edgeedge with one S(5)Y5 trigonal bipyramid, edges with two equivalent S(6)Y3Cr2 trigonal bipyramids, and  a faceface with one S(2)Y5 trigonal bipyramid. In the fourth S site, S(2) is bonded to one Y(3), two equivalent Y(1), and two equivalent Y(2) atoms to form distorted SY5 trigonal bipyramids that share  a cornercorner with one S(4)Y3Cr2 trigonal bipyramid, corners with two equivalent S(5)Y5 trigonal bipyramids, corners with four equivalent S(6)Y3Cr2 trigonal bipyramids, corners with four equivalent S(3)Y4Cr trigonal bipyramids, corners with two equivalent S(1)Y3Cr trigonal pyramids,  an edgeedge with one S(6)Y3Cr2 trigonal bipyramid,  an edgeedge with one S(3)Y4Cr trigonal bipyramid, edges with two equivalent S(4)Y3Cr2 trigonal bipyramids, edges with two equivalent S(2)Y5 trigonal bipyramids, edges with three equivalent S(5)Y5 trigonal bipyramids, and  a faceface with one S(1)Y3Cr trigonal pyramid. In the fifth S site, S(3) is bonded to two equivalent Y(2), two equivalent Y(3), and one Cr(1) atom to form distorted SY4Cr trigonal bipyramids that share  a cornercorner with one S(3)Y4Cr trigonal bipyramid, corners with two equivalent S(6)Y3Cr2 trigonal bipyramids, corners with four equivalent S(2)Y5 trigonal bipyramids, corners with four equivalent S(5)Y5 trigonal bipyramids, corners with two equivalent S(1)Y3Cr trigonal pyramids,  an edgeedge with one S(6)Y3Cr2 trigonal bipyramid,  an edgeedge with one S(2)Y5 trigonal bipyramid,  an edgeedge with one S(5)Y5 trigonal bipyramid, edges with two equivalent S(3)Y4Cr trigonal bipyramids, and edges with four equivalent S(4)Y3Cr2 trigonal bipyramids. In the sixth S site, S(4) is bonded to one Y(1), one Y(2), one Y(3), and two equivalent Cr(1) atoms to form distorted SY3Cr2 trigonal bipyramids that share  a cornercorner with one S(2)Y5 trigonal bipyramid,  a cornercorner with one S(5)Y5 trigonal bipyramid, corners with three equivalent S(6)Y3Cr2 trigonal bipyramids, corners with four equivalent S(4)Y3Cr2 trigonal bipyramids, corners with three equivalent S(1)Y3Cr trigonal pyramids,  an edgeedge with one S(4)Y3Cr2 trigonal bipyramid, edges with two equivalent S(2)Y5 trigonal bipyramids, edges with two equivalent S(5)Y5 trigonal bipyramids, and edges with four equivalent S(3)Y4Cr trigonal bipyramids.
Y3CrS6 crystallizes in the orthorhombic Pnnm space group. There are three inequivalent Y sites. In the first Y site, Y(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 Y(1)-S(4) bond length is 2.92 Å. The Y(1)-S(6) bond length is 2.92 Å. Both Y(1)-S(1) bond lengths are 2.77 Å. Both Y(1)-S(2) bond lengths are 2.86 Å. Both Y(1)-S(5) bond lengths are 2.81 Å. In the second Y site, Y(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 Y(2)-S(4) bond length is 3.14 Å. The Y(2)-S(5) bond length is 3.01 Å. Both Y(2)-S(2) bond lengths are 2.75 Å. Both Y(2)-S(3) bond lengths are 2.86 Å. Both Y(2)-S(6) bond lengths are 2.87 Å. In the third Y site, Y(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 YS7 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 Y(3)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. The Y(3)-S(1) bond length is 2.72 Å. The Y(3)-S(2) bond length is 2.85 Å. The Y(3)-S(4) bond length is 2.81 Å. Both Y(3)-S(3) bond lengths are 2.77 Å. Both Y(3)-S(5) bond lengths are 2.73 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 Y(3)S7 pentagonal bipyramids. Both Cr(1)-S(3) bond lengths are 2.42 Å. All Cr(1)-S(4) bond lengths are 2.46 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 Y(3)S7 pentagonal bipyramids and edges with two equivalent Cr(2)S6 octahedra. Both Cr(2)-S(1) bond lengths are 2.35 Å. All Cr(2)-S(6) bond lengths are 2.49 Å. There are six inequivalent S sites. In the first S site, S(5) is bonded to one Y(2), two equivalent Y(1), and two equivalent Y(3) atoms to form distorted SY5 trigonal bipyramids that share  a cornercorner with one S(4)Y3Cr2 trigonal bipyramid, corners with two equivalent S(2)Y5 trigonal bipyramids, corners with four equivalent S(3)Y4Cr trigonal bipyramids, corners with four equivalent S(1)Y3Cr trigonal pyramids,  an edgeedge with one S(3)Y4Cr trigonal bipyramid, edges with two equivalent S(4)Y3Cr2 trigonal bipyramids, edges with two equivalent S(6)Y3Cr2 trigonal bipyramids, edges with two equivalent S(5)Y5 trigonal bipyramids, edges with three equivalent S(2)Y5 trigonal bipyramids, and  an edgeedge with one S(1)Y3Cr trigonal pyramid. In the second S site, S(6) is bonded to one Y(1), two equivalent Y(2), and two equivalent Cr(2) atoms to form distorted SY3Cr2 trigonal bipyramids that share corners with two equivalent S(6)Y3Cr2 trigonal bipyramids, corners with two equivalent S(3)Y4Cr trigonal bipyramids, corners with three equivalent S(4)Y3Cr2 trigonal bipyramids, corners with four equivalent S(2)Y5 trigonal bipyramids, corners with two equivalent S(1)Y3Cr trigonal pyramids,  an edgeedge with one S(3)Y4Cr trigonal bipyramid,  an edgeedge with one S(2)Y5 trigonal bipyramid, edges with two equivalent S(5)Y5 trigonal bipyramids, edges with three equivalent S(6)Y3Cr2 trigonal bipyramids, and edges with two equivalent S(1)Y3Cr trigonal pyramids. In the third S site, S(1) is bonded to one Y(3), two equivalent Y(1), and one Cr(2) atom to form distorted SY3Cr trigonal pyramids that share corners with two equivalent S(6)Y3Cr2 trigonal bipyramids, corners with two equivalent S(3)Y4Cr trigonal bipyramids, corners with two equivalent S(2)Y5 trigonal bipyramids, corners with three equivalent S(4)Y3Cr2 trigonal bipyramids, corners with four equivalent S(5)Y5 trigonal bipyramids, corners with three equivalent S(1)Y3Cr trigonal pyramids,  an edgeedge with one S(5)Y5 trigonal bipyramid, edges with two equivalent S(6)Y3Cr2 trigonal bipyramids, and  a faceface with one S(2)Y5 trigonal bipyramid. In the fourth S site, S(2) is bonded to one Y(3), two equivalent Y(1), and two equivalent Y(2) atoms to form distorted SY5 trigonal bipyramids that share  a cornercorner with one S(4)Y3Cr2 trigonal bipyramid, corners with two equivalent S(5)Y5 trigonal bipyramids, corners with four equivalent S(6)Y3Cr2 trigonal bipyramids, corners with four equivalent S(3)Y4Cr trigonal bipyramids, corners with two equivalent S(1)Y3Cr trigonal pyramids,  an edgeedge with one S(6)Y3Cr2 trigonal bipyramid,  an edgeedge with one S(3)Y4Cr trigonal bipyramid, edges with two equivalent S(4)Y3Cr2 trigonal bipyramids, edges with two equivalent S(2)Y5 trigonal bipyramids, edges with three equivalent S(5)Y5 trigonal bipyramids, and  a faceface with one S(1)Y3Cr trigonal pyramid. In the fifth S site, S(3) is bonded to two equivalent Y(2), two equivalent Y(3), and one Cr(1) atom to form distorted SY4Cr trigonal bipyramids that share  a cornercorner with one S(3)Y4Cr trigonal bipyramid, corners with two equivalent S(6)Y3Cr2 trigonal bipyramids, corners with four equivalent S(2)Y5 trigonal bipyramids, corners with four equivalent S(5)Y5 trigonal bipyramids, corners with two equivalent S(1)Y3Cr trigonal pyramids,  an edgeedge with one S(6)Y3Cr2 trigonal bipyramid,  an edgeedge with one S(2)Y5 trigonal bipyramid,  an edgeedge with one S(5)Y5 trigonal bipyramid, edges with two equivalent S(3)Y4Cr trigonal bipyramids, and edges with four equivalent S(4)Y3Cr2 trigonal bipyramids. In the sixth S site, S(4) is bonded to one Y(1), one Y(2), one Y(3), and two equivalent Cr(1) atoms to form distorted SY3Cr2 trigonal bipyramids that share  a cornercorner with one S(2)Y5 trigonal bipyramid,  a cornercorner with one S(5)Y5 trigonal bipyramid, corners with three equivalent S(6)Y3Cr2 trigonal bipyramids, corners with four equivalent S(4)Y3Cr2 trigonal bipyramids, corners with three equivalent S(1)Y3Cr trigonal pyramids,  an edgeedge with one S(4)Y3Cr2 trigonal bipyramid, edges with two equivalent S(2)Y5 trigonal bipyramids, edges with two equivalent S(5)Y5 trigonal bipyramids, and edges with four equivalent S(3)Y4Cr trigonal bipyramids.