Y2S3 crystallizes in the monoclinic P2_1/m space group. There are six inequivalent Y sites. In the first Y site, Y(1) is bonded to one S(2), one S(8), two equivalent S(3), and three equivalent S(7) atoms to form distorted YS7 pentagonal bipyramids that share  a cornercorner with one Y(3)S6 octahedra,  a cornercorner with one Y(4)S6 octahedra, corners with two equivalent Y(6)S7 pentagonal bipyramids, edges with two equivalent Y(3)S6 octahedra, edges with two equivalent Y(6)S7 pentagonal bipyramids, edges with four equivalent Y(1)S7 pentagonal bipyramids, and  a faceface with one Y(6)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 33-34°. In the second Y site, Y(2) is bonded to one S(5), one S(9), two equivalent S(6), and three equivalent S(1) atoms to form distorted YS7 pentagonal bipyramids that share  a cornercorner with one Y(4)S6 octahedra, corners with four equivalent Y(5)S6 octahedra, edges with two equivalent Y(3)S6 octahedra, edges with two equivalent Y(4)S6 octahedra, edges with four equivalent Y(2)S7 pentagonal bipyramids, and  a faceface with one Y(5)S6 octahedra. The corner-sharing octahedral tilt angles range from 32-49°. In the third Y site, Y(3) is bonded to one S(6), one S(7), two equivalent S(5), and two equivalent S(8) atoms to form YS6 octahedra that share corners with two equivalent Y(4)S6 octahedra, corners with two equivalent Y(5)S6 octahedra,  a cornercorner with one Y(1)S7 pentagonal bipyramid, corners with two equivalent Y(6)S7 pentagonal bipyramids,  an edgeedge with one Y(4)S6 octahedra, edges with two equivalent Y(3)S6 octahedra, edges with two equivalent Y(1)S7 pentagonal bipyramids, and edges with two equivalent Y(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 14-68°. In the fourth Y site, Y(4) is bonded to one S(1), one S(2), two equivalent S(4), and two equivalent S(5) atoms to form YS6 octahedra that share corners with two equivalent Y(3)S6 octahedra, corners with two equivalent Y(5)S6 octahedra,  a cornercorner with one Y(1)S7 pentagonal bipyramid,  a cornercorner with one Y(2)S7 pentagonal bipyramid,  an edgeedge with one Y(3)S6 octahedra, edges with two equivalent Y(4)S6 octahedra, edges with two equivalent Y(2)S7 pentagonal bipyramids, and edges with two equivalent Y(6)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 14-63°. In the fifth Y site, Y(5) is bonded to one S(4), two equivalent S(6), and three equivalent S(9) atoms to form YS6 octahedra that share corners with two equivalent Y(3)S6 octahedra, corners with two equivalent Y(4)S6 octahedra,  a cornercorner with one Y(6)S7 pentagonal bipyramid, corners with four equivalent Y(2)S7 pentagonal bipyramids, edges with four equivalent Y(5)S6 octahedra, and  a faceface with one Y(2)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 63-68°. In the sixth Y site, Y(6) is bonded to one S(4), one S(8), two equivalent S(2), and three equivalent S(3) atoms to form distorted YS7 pentagonal bipyramids that share  a cornercorner with one Y(5)S6 octahedra, corners with two equivalent Y(3)S6 octahedra, corners with two equivalent Y(1)S7 pentagonal bipyramids, edges with two equivalent Y(4)S6 octahedra, edges with two equivalent Y(1)S7 pentagonal bipyramids, edges with four equivalent Y(6)S7 pentagonal bipyramids, and  a faceface with one Y(1)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 49-52°. There are nine inequivalent S sites. In the first S site, S(1) is bonded to one Y(4) and three equivalent Y(2) atoms to form SY4 tetrahedra that share  a cornercorner with one S(5)Y5 square pyramid, corners with two equivalent S(1)Y4 tetrahedra, corners with four equivalent S(6)Y5 trigonal bipyramids,  a cornercorner with one S(2)Y4 trigonal pyramid, corners with three equivalent S(9)Y4 trigonal pyramids, edges with two equivalent S(5)Y5 square pyramids, edges with two equivalent S(1)Y4 tetrahedra, and  an edgeedge with one S(6)Y5 trigonal bipyramid. In the second S site, S(2) is bonded to one Y(1), one Y(4), and two equivalent Y(6) atoms to form distorted SY4 trigonal pyramids that share corners with two equivalent S(5)Y5 square pyramids,  a cornercorner with one S(1)Y4 tetrahedra, corners with two equivalent S(3)Y5 trigonal bipyramids, corners with two equivalent S(2)Y4 trigonal pyramids, corners with three equivalent S(7)Y4 trigonal pyramids, corners with three equivalent S(8)Y4 trigonal pyramids, and edges with three equivalent S(3)Y5 trigonal bipyramids. In the third S site, S(3) is bonded to two equivalent Y(1) and three equivalent Y(6) atoms to form distorted SY5 trigonal bipyramids that share  a cornercorner with one S(8)Y4 trigonal pyramid, corners with two equivalent S(2)Y4 trigonal pyramids, corners with four equivalent S(7)Y4 trigonal pyramids, edges with four equivalent S(3)Y5 trigonal bipyramids,  an edgeedge with one S(7)Y4 trigonal pyramid, edges with two equivalent S(8)Y4 trigonal pyramids, and edges with three equivalent S(2)Y4 trigonal pyramids. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to one Y(5), one Y(6), and two equivalent Y(4) atoms. In the fifth S site, S(5) is bonded to one Y(2), two equivalent Y(3), and two equivalent Y(4) atoms to form SY5 square pyramids that share  a cornercorner with one S(1)Y4 tetrahedra,  a cornercorner with one S(9)Y4 trigonal pyramid, corners with two equivalent S(2)Y4 trigonal pyramids, corners with two equivalent S(7)Y4 trigonal pyramids, corners with two equivalent S(8)Y4 trigonal pyramids, edges with two equivalent S(5)Y5 square pyramids, edges with two equivalent S(1)Y4 tetrahedra, edges with two equivalent S(6)Y5 trigonal bipyramids, and  an edgeedge with one S(8)Y4 trigonal pyramid. In the sixth S site, S(6) is bonded to one Y(3), two equivalent Y(2), and two equivalent Y(5) atoms to form distorted SY5 trigonal bipyramids that share corners with four equivalent S(1)Y4 tetrahedra,  a cornercorner with one S(7)Y4 trigonal pyramid, corners with two equivalent S(8)Y4 trigonal pyramids, corners with two equivalent S(9)Y4 trigonal pyramids, edges with two equivalent S(5)Y5 square pyramids,  an edgeedge with one S(1)Y4 tetrahedra, edges with two equivalent S(6)Y5 trigonal bipyramids, and edges with three equivalent S(9)Y4 trigonal pyramids. In the seventh S site, S(7) is bonded to one Y(3) and three equivalent Y(1) atoms to form distorted SY4 trigonal pyramids that share corners with two equivalent S(5)Y5 square pyramids,  a cornercorner with one S(6)Y5 trigonal bipyramid, corners with four equivalent S(3)Y5 trigonal bipyramids,  a cornercorner with one S(8)Y4 trigonal pyramid, corners with two equivalent S(7)Y4 trigonal pyramids, corners with three equivalent S(2)Y4 trigonal pyramids,  an edgeedge with one S(3)Y5 trigonal bipyramid, edges with two equivalent S(7)Y4 trigonal pyramids, and edges with two equivalent S(8)Y4 trigonal pyramids. In the eighth S site, S(8) is bonded to one Y(1), one Y(6), and two equivalent Y(3) atoms to form SY4 trigonal pyramids that share corners with two equivalent S(5)Y5 square pyramids,  a cornercorner with one S(3)Y5 trigonal bipyramid, corners with two equivalent S(6)Y5 trigonal bipyramids,  a cornercorner with one S(7)Y4 trigonal pyramid, corners with two equivalent S(8)Y4 trigonal pyramids, corners with three equivalent S(2)Y4 trigonal pyramids,  an edgeedge with one S(5)Y5 square pyramid, edges with two equivalent S(3)Y5 trigonal bipyramids, and edges with two equivalent S(7)Y4 trigonal pyramids. In the ninth S site, S(9) is bonded to one Y(2) and three equivalent Y(5) atoms to form SY4 trigonal pyramids that share  a cornercorner with one S(5)Y5 square pyramid, corners with three equivalent S(1)Y4 tetrahedra, corners with two equivalent S(6)Y5 trigonal bipyramids, corners with two equivalent S(9)Y4 trigonal pyramids, edges with three equivalent S(6)Y5 trigonal bipyramids, and edges with two equivalent S(9)Y4 trigonal pyramids.
Y2S3 crystallizes in the monoclinic P2_1/m space group. There are six inequivalent Y sites. In the first Y site, Y(1) is bonded to one S(2), one S(8), two equivalent S(3), and three equivalent S(7) atoms to form distorted YS7 pentagonal bipyramids that share  a cornercorner with one Y(3)S6 octahedra,  a cornercorner with one Y(4)S6 octahedra, corners with two equivalent Y(6)S7 pentagonal bipyramids, edges with two equivalent Y(3)S6 octahedra, edges with two equivalent Y(6)S7 pentagonal bipyramids, edges with four equivalent Y(1)S7 pentagonal bipyramids, and  a faceface with one Y(6)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 33-34°. The Y(1)-S(2) bond length is 2.84 Å. The Y(1)-S(8) bond length is 2.96 Å. Both Y(1)-S(3) bond lengths are 2.82 Å. There are two shorter (2.73 Å) and one longer (2.75 Å) Y(1)-S(7) bond length. In the second Y site, Y(2) is bonded to one S(5), one S(9), two equivalent S(6), and three equivalent S(1) atoms to form distorted YS7 pentagonal bipyramids that share  a cornercorner with one Y(4)S6 octahedra, corners with four equivalent Y(5)S6 octahedra, edges with two equivalent Y(3)S6 octahedra, edges with two equivalent Y(4)S6 octahedra, edges with four equivalent Y(2)S7 pentagonal bipyramids, and  a faceface with one Y(5)S6 octahedra. The corner-sharing octahedral tilt angles range from 32-49°. The Y(2)-S(5) bond length is 2.93 Å. The Y(2)-S(9) bond length is 2.83 Å. Both Y(2)-S(6) bond lengths are 2.94 Å. There are two shorter (2.69 Å) and one longer (2.77 Å) Y(2)-S(1) bond length. In the third Y site, Y(3) is bonded to one S(6), one S(7), two equivalent S(5), and two equivalent S(8) atoms to form YS6 octahedra that share corners with two equivalent Y(4)S6 octahedra, corners with two equivalent Y(5)S6 octahedra,  a cornercorner with one Y(1)S7 pentagonal bipyramid, corners with two equivalent Y(6)S7 pentagonal bipyramids,  an edgeedge with one Y(4)S6 octahedra, edges with two equivalent Y(3)S6 octahedra, edges with two equivalent Y(1)S7 pentagonal bipyramids, and edges with two equivalent Y(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 14-68°. The Y(3)-S(6) bond length is 2.74 Å. The Y(3)-S(7) bond length is 2.63 Å. Both Y(3)-S(5) bond lengths are 2.83 Å. Both Y(3)-S(8) bond lengths are 2.66 Å. In the fourth Y site, Y(4) is bonded to one S(1), one S(2), two equivalent S(4), and two equivalent S(5) atoms to form YS6 octahedra that share corners with two equivalent Y(3)S6 octahedra, corners with two equivalent Y(5)S6 octahedra,  a cornercorner with one Y(1)S7 pentagonal bipyramid,  a cornercorner with one Y(2)S7 pentagonal bipyramid,  an edgeedge with one Y(3)S6 octahedra, edges with two equivalent Y(4)S6 octahedra, edges with two equivalent Y(2)S7 pentagonal bipyramids, and edges with two equivalent Y(6)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 14-63°. The Y(4)-S(1) bond length is 2.72 Å. The Y(4)-S(2) bond length is 2.69 Å. Both Y(4)-S(4) bond lengths are 2.69 Å. Both Y(4)-S(5) bond lengths are 2.86 Å. In the fifth Y site, Y(5) is bonded to one S(4), two equivalent S(6), and three equivalent S(9) atoms to form YS6 octahedra that share corners with two equivalent Y(3)S6 octahedra, corners with two equivalent Y(4)S6 octahedra,  a cornercorner with one Y(6)S7 pentagonal bipyramid, corners with four equivalent Y(2)S7 pentagonal bipyramids, edges with four equivalent Y(5)S6 octahedra, and  a faceface with one Y(2)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 63-68°. The Y(5)-S(4) bond length is 2.75 Å. Both Y(5)-S(6) bond lengths are 2.84 Å. There are two shorter (2.69 Å) and one longer (2.79 Å) Y(5)-S(9) bond length. In the sixth Y site, Y(6) is bonded to one S(4), one S(8), two equivalent S(2), and three equivalent S(3) atoms to form distorted YS7 pentagonal bipyramids that share  a cornercorner with one Y(5)S6 octahedra, corners with two equivalent Y(3)S6 octahedra, corners with two equivalent Y(1)S7 pentagonal bipyramids, edges with two equivalent Y(4)S6 octahedra, edges with two equivalent Y(1)S7 pentagonal bipyramids, edges with four equivalent Y(6)S7 pentagonal bipyramids, and  a faceface with one Y(1)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 49-52°. The Y(6)-S(4) bond length is 2.96 Å. The Y(6)-S(8) bond length is 2.79 Å. Both Y(6)-S(2) bond lengths are 2.73 Å. There is one shorter (2.79 Å) and two longer (2.87 Å) Y(6)-S(3) bond lengths. There are nine inequivalent S sites. In the first S site, S(1) is bonded to one Y(4) and three equivalent Y(2) atoms to form SY4 tetrahedra that share  a cornercorner with one S(5)Y5 square pyramid, corners with two equivalent S(1)Y4 tetrahedra, corners with four equivalent S(6)Y5 trigonal bipyramids,  a cornercorner with one S(2)Y4 trigonal pyramid, corners with three equivalent S(9)Y4 trigonal pyramids, edges with two equivalent S(5)Y5 square pyramids, edges with two equivalent S(1)Y4 tetrahedra, and  an edgeedge with one S(6)Y5 trigonal bipyramid. In the second S site, S(2) is bonded to one Y(1), one Y(4), and two equivalent Y(6) atoms to form distorted SY4 trigonal pyramids that share corners with two equivalent S(5)Y5 square pyramids,  a cornercorner with one S(1)Y4 tetrahedra, corners with two equivalent S(3)Y5 trigonal bipyramids, corners with two equivalent S(2)Y4 trigonal pyramids, corners with three equivalent S(7)Y4 trigonal pyramids, corners with three equivalent S(8)Y4 trigonal pyramids, and edges with three equivalent S(3)Y5 trigonal bipyramids. In the third S site, S(3) is bonded to two equivalent Y(1) and three equivalent Y(6) atoms to form distorted SY5 trigonal bipyramids that share  a cornercorner with one S(8)Y4 trigonal pyramid, corners with two equivalent S(2)Y4 trigonal pyramids, corners with four equivalent S(7)Y4 trigonal pyramids, edges with four equivalent S(3)Y5 trigonal bipyramids,  an edgeedge with one S(7)Y4 trigonal pyramid, edges with two equivalent S(8)Y4 trigonal pyramids, and edges with three equivalent S(2)Y4 trigonal pyramids. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to one Y(5), one Y(6), and two equivalent Y(4) atoms. In the fifth S site, S(5) is bonded to one Y(2), two equivalent Y(3), and two equivalent Y(4) atoms to form SY5 square pyramids that share  a cornercorner with one S(1)Y4 tetrahedra,  a cornercorner with one S(9)Y4 trigonal pyramid, corners with two equivalent S(2)Y4 trigonal pyramids, corners with two equivalent S(7)Y4 trigonal pyramids, corners with two equivalent S(8)Y4 trigonal pyramids, edges with two equivalent S(5)Y5 square pyramids, edges with two equivalent S(1)Y4 tetrahedra, edges with two equivalent S(6)Y5 trigonal bipyramids, and  an edgeedge with one S(8)Y4 trigonal pyramid. In the sixth S site, S(6) is bonded to one Y(3), two equivalent Y(2), and two equivalent Y(5) atoms to form distorted SY5 trigonal bipyramids that share corners with four equivalent S(1)Y4 tetrahedra,  a cornercorner with one S(7)Y4 trigonal pyramid, corners with two equivalent S(8)Y4 trigonal pyramids, corners with two equivalent S(9)Y4 trigonal pyramids, edges with two equivalent S(5)Y5 square pyramids,  an edgeedge with one S(1)Y4 tetrahedra, edges with two equivalent S(6)Y5 trigonal bipyramids, and edges with three equivalent S(9)Y4 trigonal pyramids. In the seventh S site, S(7) is bonded to one Y(3) and three equivalent Y(1) atoms to form distorted SY4 trigonal pyramids that share corners with two equivalent S(5)Y5 square pyramids,  a cornercorner with one S(6)Y5 trigonal bipyramid, corners with four equivalent S(3)Y5 trigonal bipyramids,  a cornercorner with one S(8)Y4 trigonal pyramid, corners with two equivalent S(7)Y4 trigonal pyramids, corners with three equivalent S(2)Y4 trigonal pyramids,  an edgeedge with one S(3)Y5 trigonal bipyramid, edges with two equivalent S(7)Y4 trigonal pyramids, and edges with two equivalent S(8)Y4 trigonal pyramids. In the eighth S site, S(8) is bonded to one Y(1), one Y(6), and two equivalent Y(3) atoms to form SY4 trigonal pyramids that share corners with two equivalent S(5)Y5 square pyramids,  a cornercorner with one S(3)Y5 trigonal bipyramid, corners with two equivalent S(6)Y5 trigonal bipyramids,  a cornercorner with one S(7)Y4 trigonal pyramid, corners with two equivalent S(8)Y4 trigonal pyramids, corners with three equivalent S(2)Y4 trigonal pyramids,  an edgeedge with one S(5)Y5 square pyramid, edges with two equivalent S(3)Y5 trigonal bipyramids, and edges with two equivalent S(7)Y4 trigonal pyramids. In the ninth S site, S(9) is bonded to one Y(2) and three equivalent Y(5) atoms to form SY4 trigonal pyramids that share  a cornercorner with one S(5)Y5 square pyramid, corners with three equivalent S(1)Y4 tetrahedra, corners with two equivalent S(6)Y5 trigonal bipyramids, corners with two equivalent S(9)Y4 trigonal pyramids, edges with three equivalent S(6)Y5 trigonal bipyramids, and edges with two equivalent S(9)Y4 trigonal pyramids.