PrDyYb2S6 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one S(3), two equivalent S(4), and three equivalent S(2) atoms to form YbS6 octahedra that share corners with three equivalent Yb(2)S6 octahedra, corners with three equivalent S(6)Yb2Pr2S trigonal bipyramids, and edges with four equivalent Yb(1)S6 octahedra. The corner-sharing octahedral tilt angles are 60°. In the second Yb site, Yb(2) is bonded to one S(5), two equivalent S(6), and three equivalent S(3) atoms to form YbS6 octahedra that share corners with two equivalent S(2)Yb3Pr2S octahedra, corners with three equivalent Yb(1)S6 octahedra, and edges with four equivalent Yb(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 60-66°. Dy(1) is bonded in a 6-coordinate geometry to one S(4), two equivalent S(1), and three equivalent S(5) atoms. Pr(1) is bonded in a 8-coordinate geometry to one S(4), two equivalent S(2), two equivalent S(6), and three equivalent S(1) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Dy(1) and three equivalent Pr(1) atoms to form distorted SPr3Dy2 trigonal bipyramids that share corners with four equivalent S(2)Yb3Pr2S octahedra,  a cornercorner with one S(4)Yb2PrDy tetrahedra, corners with four equivalent S(5)YbDy3 tetrahedra, corners with four equivalent S(6)Yb2Pr2S trigonal bipyramids,  an edgeedge with one S(2)Yb3Pr2S octahedra,  an edgeedge with one S(5)YbDy3 tetrahedra, edges with two equivalent S(4)Yb2PrDy tetrahedra,  an edgeedge with one S(6)Yb2Pr2S trigonal bipyramid, and edges with four equivalent S(1)Pr3Dy2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 24-56°. In the second S site, S(2) is bonded to three equivalent Yb(1), two equivalent Pr(1), and one S(6) atom to form SYb3Pr2S octahedra that share corners with two equivalent Yb(2)S6 octahedra, corners with two equivalent S(4)Yb2PrDy tetrahedra, corners with two equivalent S(6)Yb2Pr2S trigonal bipyramids, corners with four equivalent S(1)Pr3Dy2 trigonal bipyramids, corners with three equivalent S(3)Yb4 trigonal pyramids, edges with four equivalent S(2)Yb3Pr2S octahedra, edges with three equivalent S(4)Yb2PrDy tetrahedra,  an edgeedge with one S(1)Pr3Dy2 trigonal bipyramid, and  an edgeedge with one S(6)Yb2Pr2S trigonal bipyramid. The corner-sharing octahedral tilt angles are 66°. In the third S site, S(3) is bonded to one Yb(1) and three equivalent Yb(2) atoms to form distorted SYb4 trigonal pyramids that share corners with three equivalent S(2)Yb3Pr2S octahedra, corners with two equivalent S(4)Yb2PrDy tetrahedra, corners with three equivalent S(5)YbDy3 tetrahedra, corners with four equivalent S(6)Yb2Pr2S trigonal bipyramids, corners with two equivalent S(3)Yb4 trigonal pyramids,  an edgeedge with one S(6)Yb2Pr2S trigonal bipyramid, and edges with two equivalent S(3)Yb4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 3-89°. In the fourth S site, S(4) is bonded to two equivalent Yb(1), one Dy(1), and one Pr(1) atom to form distorted SYb2PrDy tetrahedra that share corners with two equivalent S(2)Yb3Pr2S octahedra, corners with two equivalent S(4)Yb2PrDy tetrahedra, corners with three equivalent S(5)YbDy3 tetrahedra,  a cornercorner with one S(1)Pr3Dy2 trigonal bipyramid, corners with two equivalent S(6)Yb2Pr2S trigonal bipyramids, corners with two equivalent S(3)Yb4 trigonal pyramids, edges with three equivalent S(2)Yb3Pr2S octahedra, and edges with two equivalent S(1)Pr3Dy2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 12°. In the fifth S site, S(5) is bonded to one Yb(2) and three equivalent Dy(1) atoms to form SYbDy3 tetrahedra that share corners with two equivalent S(5)YbDy3 tetrahedra, corners with three equivalent S(4)Yb2PrDy tetrahedra, corners with two equivalent S(6)Yb2Pr2S trigonal bipyramids, corners with four equivalent S(1)Pr3Dy2 trigonal bipyramids, corners with three equivalent S(3)Yb4 trigonal pyramids, edges with two equivalent S(5)YbDy3 tetrahedra, and  an edgeedge with one S(1)Pr3Dy2 trigonal bipyramid. In the sixth S site, S(6) is bonded to two equivalent Yb(2), two equivalent Pr(1), and one S(2) atom to form distorted SYb2Pr2S trigonal bipyramids that share corners with two equivalent S(2)Yb3Pr2S octahedra, corners with three equivalent Yb(1)S6 octahedra, corners with two equivalent S(4)Yb2PrDy tetrahedra, corners with two equivalent S(5)YbDy3 tetrahedra, corners with four equivalent S(1)Pr3Dy2 trigonal bipyramids, corners with four equivalent S(3)Yb4 trigonal pyramids,  an edgeedge with one S(2)Yb3Pr2S octahedra,  an edgeedge with one S(1)Pr3Dy2 trigonal bipyramid, edges with two equivalent S(6)Yb2Pr2S trigonal bipyramids, and  an edgeedge with one S(3)Yb4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 29-79°.
PrDyYb2S6 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one S(3), two equivalent S(4), and three equivalent S(2) atoms to form YbS6 octahedra that share corners with three equivalent Yb(2)S6 octahedra, corners with three equivalent S(6)Yb2Pr2S trigonal bipyramids, and edges with four equivalent Yb(1)S6 octahedra. The corner-sharing octahedral tilt angles are 60°. The Yb(1)-S(3) bond length is 2.55 Å. Both Yb(1)-S(4) bond lengths are 2.69 Å. There are two shorter (3.08 Å) and one longer (3.09 Å) Yb(1)-S(2) bond length. In the second Yb site, Yb(2) is bonded to one S(5), two equivalent S(6), and three equivalent S(3) atoms to form YbS6 octahedra that share corners with two equivalent S(2)Yb3Pr2S octahedra, corners with three equivalent Yb(1)S6 octahedra, and edges with four equivalent Yb(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 60-66°. The Yb(2)-S(5) bond length is 2.84 Å. Both Yb(2)-S(6) bond lengths are 3.17 Å. There are two shorter (2.65 Å) and one longer (2.70 Å) Yb(2)-S(3) bond length. Dy(1) is bonded in a 6-coordinate geometry to one S(4), two equivalent S(1), and three equivalent S(5) atoms. The Dy(1)-S(4) bond length is 2.64 Å. Both Dy(1)-S(1) bond lengths are 3.03 Å. There are two shorter (2.71 Å) and one longer (2.73 Å) Dy(1)-S(5) bond length. Pr(1) is bonded in a 8-coordinate geometry to one S(4), two equivalent S(2), two equivalent S(6), and three equivalent S(1) atoms. The Pr(1)-S(4) bond length is 2.84 Å. Both Pr(1)-S(2) bond lengths are 3.05 Å. Both Pr(1)-S(6) bond lengths are 2.97 Å. There are two shorter (2.93 Å) and one longer (2.94 Å) Pr(1)-S(1) bond length. There are six inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Dy(1) and three equivalent Pr(1) atoms to form distorted SPr3Dy2 trigonal bipyramids that share corners with four equivalent S(2)Yb3Pr2S octahedra,  a cornercorner with one S(4)Yb2PrDy tetrahedra, corners with four equivalent S(5)YbDy3 tetrahedra, corners with four equivalent S(6)Yb2Pr2S trigonal bipyramids,  an edgeedge with one S(2)Yb3Pr2S octahedra,  an edgeedge with one S(5)YbDy3 tetrahedra, edges with two equivalent S(4)Yb2PrDy tetrahedra,  an edgeedge with one S(6)Yb2Pr2S trigonal bipyramid, and edges with four equivalent S(1)Pr3Dy2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 24-56°. In the second S site, S(2) is bonded to three equivalent Yb(1), two equivalent Pr(1), and one S(6) atom to form SYb3Pr2S octahedra that share corners with two equivalent Yb(2)S6 octahedra, corners with two equivalent S(4)Yb2PrDy tetrahedra, corners with two equivalent S(6)Yb2Pr2S trigonal bipyramids, corners with four equivalent S(1)Pr3Dy2 trigonal bipyramids, corners with three equivalent S(3)Yb4 trigonal pyramids, edges with four equivalent S(2)Yb3Pr2S octahedra, edges with three equivalent S(4)Yb2PrDy tetrahedra,  an edgeedge with one S(1)Pr3Dy2 trigonal bipyramid, and  an edgeedge with one S(6)Yb2Pr2S trigonal bipyramid. The corner-sharing octahedral tilt angles are 66°. The S(2)-S(6) bond length is 2.12 Å. In the third S site, S(3) is bonded to one Yb(1) and three equivalent Yb(2) atoms to form distorted SYb4 trigonal pyramids that share corners with three equivalent S(2)Yb3Pr2S octahedra, corners with two equivalent S(4)Yb2PrDy tetrahedra, corners with three equivalent S(5)YbDy3 tetrahedra, corners with four equivalent S(6)Yb2Pr2S trigonal bipyramids, corners with two equivalent S(3)Yb4 trigonal pyramids,  an edgeedge with one S(6)Yb2Pr2S trigonal bipyramid, and edges with two equivalent S(3)Yb4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 3-89°. In the fourth S site, S(4) is bonded to two equivalent Yb(1), one Dy(1), and one Pr(1) atom to form distorted SYb2PrDy tetrahedra that share corners with two equivalent S(2)Yb3Pr2S octahedra, corners with two equivalent S(4)Yb2PrDy tetrahedra, corners with three equivalent S(5)YbDy3 tetrahedra,  a cornercorner with one S(1)Pr3Dy2 trigonal bipyramid, corners with two equivalent S(6)Yb2Pr2S trigonal bipyramids, corners with two equivalent S(3)Yb4 trigonal pyramids, edges with three equivalent S(2)Yb3Pr2S octahedra, and edges with two equivalent S(1)Pr3Dy2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 12°. In the fifth S site, S(5) is bonded to one Yb(2) and three equivalent Dy(1) atoms to form SYbDy3 tetrahedra that share corners with two equivalent S(5)YbDy3 tetrahedra, corners with three equivalent S(4)Yb2PrDy tetrahedra, corners with two equivalent S(6)Yb2Pr2S trigonal bipyramids, corners with four equivalent S(1)Pr3Dy2 trigonal bipyramids, corners with three equivalent S(3)Yb4 trigonal pyramids, edges with two equivalent S(5)YbDy3 tetrahedra, and  an edgeedge with one S(1)Pr3Dy2 trigonal bipyramid. In the sixth S site, S(6) is bonded to two equivalent Yb(2), two equivalent Pr(1), and one S(2) atom to form distorted SYb2Pr2S trigonal bipyramids that share corners with two equivalent S(2)Yb3Pr2S octahedra, corners with three equivalent Yb(1)S6 octahedra, corners with two equivalent S(4)Yb2PrDy tetrahedra, corners with two equivalent S(5)YbDy3 tetrahedra, corners with four equivalent S(1)Pr3Dy2 trigonal bipyramids, corners with four equivalent S(3)Yb4 trigonal pyramids,  an edgeedge with one S(2)Yb3Pr2S octahedra,  an edgeedge with one S(1)Pr3Dy2 trigonal bipyramid, edges with two equivalent S(6)Yb2Pr2S trigonal bipyramids, and  an edgeedge with one S(3)Yb4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 29-79°.