The compound described by PrTbYb2S6 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(2), two equivalent S(4), and three equivalent S(6) atoms to form YbS6 octahedra that share corners with two equivalent S(5)Yb3Pr2S octahedra, corners with three equivalent Yb(2)S6 octahedra, and edges with four equivalent Yb(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 59-66°. In the second Yb site, Yb(2) is bonded to one S(6), two equivalent S(3), and three equivalent S(5) atoms to form YbS6 octahedra that share corners with three equivalent Yb(1)S6 octahedra, corners with three equivalent S(4)Yb2Pr2S trigonal bipyramids, and edges with four equivalent Yb(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 59-62°. Tb(1) is bonded in a 6-coordinate geometry to one S(3), two equivalent S(1), and three equivalent S(2) atoms. Pr(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 Tb(1) and three equivalent Pr(1) atoms to form distorted STb2Pr3 trigonal bipyramids that share corners with four equivalent S(5)Yb3Pr2S octahedra,  a cornercorner with one S(3)TbYb2Pr tetrahedra, corners with four equivalent S(2)Tb3Yb tetrahedra, corners with four equivalent S(4)Yb2Pr2S trigonal bipyramids,  an edgeedge with one S(5)Yb3Pr2S octahedra,  an edgeedge with one S(2)Tb3Yb tetrahedra, edges with two equivalent S(3)TbYb2Pr tetrahedra,  an edgeedge with one S(4)Yb2Pr2S trigonal bipyramid, and edges with four equivalent S(1)Tb2Pr3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 24-56°. In the second S site, S(2) is bonded to one Yb(1) and three equivalent Tb(1) atoms to form STb3Yb tetrahedra that share corners with two equivalent S(2)Tb3Yb tetrahedra, corners with three equivalent S(3)TbYb2Pr tetrahedra, corners with two equivalent S(4)Yb2Pr2S trigonal bipyramids, corners with four equivalent S(1)Tb2Pr3 trigonal bipyramids, corners with three equivalent S(6)Yb4 trigonal pyramids, edges with two equivalent S(2)Tb3Yb tetrahedra, and  an edgeedge with one S(1)Tb2Pr3 trigonal bipyramid. In the third S site, S(3) is bonded to two equivalent Yb(2), one Tb(1), and one Pr(1) atom to form distorted STbYb2Pr tetrahedra that share corners with two equivalent S(5)Yb3Pr2S octahedra, corners with two equivalent S(3)TbYb2Pr tetrahedra, corners with three equivalent S(2)Tb3Yb tetrahedra,  a cornercorner with one S(1)Tb2Pr3 trigonal bipyramid, corners with two equivalent S(4)Yb2Pr2S trigonal bipyramids, corners with two equivalent S(6)Yb4 trigonal pyramids, edges with three equivalent S(5)Yb3Pr2S octahedra, and edges with two equivalent S(1)Tb2Pr3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 12°. In the fourth S site, S(4) is bonded to two equivalent Yb(1), two equivalent Pr(1), and one S(5) atom to form distorted SYb2Pr2S trigonal bipyramids that share corners with two equivalent S(5)Yb3Pr2S octahedra, corners with three equivalent Yb(2)S6 octahedra, corners with two equivalent S(2)Tb3Yb tetrahedra, corners with two equivalent S(3)TbYb2Pr tetrahedra, corners with four equivalent S(1)Tb2Pr3 trigonal bipyramids, corners with four equivalent S(6)Yb4 trigonal pyramids,  an edgeedge with one S(5)Yb3Pr2S octahedra,  an edgeedge with one S(1)Tb2Pr3 trigonal bipyramid, edges with two equivalent S(4)Yb2Pr2S trigonal bipyramids, and  an edgeedge with one S(6)Yb4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 30-79°. In the fifth S site, S(5) is bonded to three equivalent Yb(2), two equivalent Pr(1), and one S(4) atom to form SYb3Pr2S octahedra that share corners with two equivalent Yb(1)S6 octahedra, corners with two equivalent S(3)TbYb2Pr tetrahedra, corners with two equivalent S(4)Yb2Pr2S trigonal bipyramids, corners with four equivalent S(1)Tb2Pr3 trigonal bipyramids, corners with three equivalent S(6)Yb4 trigonal pyramids, edges with four equivalent S(5)Yb3Pr2S octahedra, edges with three equivalent S(3)TbYb2Pr tetrahedra,  an edgeedge with one S(1)Tb2Pr3 trigonal bipyramid, and  an edgeedge with one S(4)Yb2Pr2S trigonal bipyramid. The corner-sharing octahedral tilt angles are 66°. In the sixth S site, S(6) is bonded to one Yb(2) and three equivalent Yb(1) atoms to form distorted SYb4 trigonal pyramids that share corners with three equivalent S(5)Yb3Pr2S octahedra, corners with two equivalent S(3)TbYb2Pr tetrahedra, corners with three equivalent S(2)Tb3Yb tetrahedra, corners with four equivalent S(4)Yb2Pr2S trigonal bipyramids, corners with two equivalent S(6)Yb4 trigonal pyramids,  an edgeedge with one S(4)Yb2Pr2S trigonal bipyramid, and edges with two equivalent S(6)Yb4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 2-87°. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbYb2PrS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.139
_cell_length_b   11.003
_cell_length_c   11.487
_cell_angle_alpha   75.180
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   505.711
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Tb  Tb0  1  0.750  0.169  0.969  1.0
  Tb  Tb1  1  0.250  0.831  0.031  1.0
  Yb  Yb2  1  0.750  0.947  0.649  1.0
  Yb  Yb3  1  0.250  0.053  0.351  1.0
  Yb  Yb4  1  0.750  0.676  0.413  1.0
  Yb  Yb5  1  0.250  0.324  0.587  1.0
  Pr  Pr6  1  0.750  0.526  0.819  1.0
  Pr  Pr7  1  0.250  0.474  0.181  1.0
  S  S8  1  0.250  0.372  0.968  1.0
  S  S9  1  0.750  0.628  0.032  1.0
  S  S10  1  0.250  0.050  0.104  1.0
  S  S11  1  0.750  0.950  0.896  1.0
  S  S12  1  0.250  0.698  0.259  1.0
  S  S13  1  0.750  0.302  0.741  1.0
  S  S14  1  0.250  0.721  0.728  1.0
  S  S15  1  0.750  0.279  0.272  1.0
  S  S16  1  0.750  0.404  0.384  1.0
  S  S17  1  0.250  0.596  0.616  1.0
  S  S18  1  0.750  0.903  0.428  1.0
  S  S19  1  0.250  0.097  0.572  1.0
[/CIF]
.
The compound described by PrTbYb2S6 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(2), two equivalent S(4), and three equivalent S(6) atoms to form YbS6 octahedra that share corners with two equivalent S(5)Yb3Pr2S octahedra, corners with three equivalent Yb(2)S6 octahedra, and edges with four equivalent Yb(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 59-66°. In the second Yb site, Yb(2) is bonded to one S(6), two equivalent S(3), and three equivalent S(5) atoms to form YbS6 octahedra that share corners with three equivalent Yb(1)S6 octahedra, corners with three equivalent S(4)Yb2Pr2S trigonal bipyramids, and edges with four equivalent Yb(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 59-62°. Tb(1) is bonded in a 6-coordinate geometry to one S(3), two equivalent S(1), and three equivalent S(2) atoms. Pr(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 Tb(1) and three equivalent Pr(1) atoms to form distorted STb2Pr3 trigonal bipyramids that share corners with four equivalent S(5)Yb3Pr2S octahedra,  a cornercorner with one S(3)TbYb2Pr tetrahedra, corners with four equivalent S(2)Tb3Yb tetrahedra, corners with four equivalent S(4)Yb2Pr2S trigonal bipyramids,  an edgeedge with one S(5)Yb3Pr2S octahedra,  an edgeedge with one S(2)Tb3Yb tetrahedra, edges with two equivalent S(3)TbYb2Pr tetrahedra,  an edgeedge with one S(4)Yb2Pr2S trigonal bipyramid, and edges with four equivalent S(1)Tb2Pr3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 24-56°. In the second S site, S(2) is bonded to one Yb(1) and three equivalent Tb(1) atoms to form STb3Yb tetrahedra that share corners with two equivalent S(2)Tb3Yb tetrahedra, corners with three equivalent S(3)TbYb2Pr tetrahedra, corners with two equivalent S(4)Yb2Pr2S trigonal bipyramids, corners with four equivalent S(1)Tb2Pr3 trigonal bipyramids, corners with three equivalent S(6)Yb4 trigonal pyramids, edges with two equivalent S(2)Tb3Yb tetrahedra, and  an edgeedge with one S(1)Tb2Pr3 trigonal bipyramid. In the third S site, S(3) is bonded to two equivalent Yb(2), one Tb(1), and one Pr(1) atom to form distorted STbYb2Pr tetrahedra that share corners with two equivalent S(5)Yb3Pr2S octahedra, corners with two equivalent S(3)TbYb2Pr tetrahedra, corners with three equivalent S(2)Tb3Yb tetrahedra,  a cornercorner with one S(1)Tb2Pr3 trigonal bipyramid, corners with two equivalent S(4)Yb2Pr2S trigonal bipyramids, corners with two equivalent S(6)Yb4 trigonal pyramids, edges with three equivalent S(5)Yb3Pr2S octahedra, and edges with two equivalent S(1)Tb2Pr3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 12°. In the fourth S site, S(4) is bonded to two equivalent Yb(1), two equivalent Pr(1), and one S(5) atom to form distorted SYb2Pr2S trigonal bipyramids that share corners with two equivalent S(5)Yb3Pr2S octahedra, corners with three equivalent Yb(2)S6 octahedra, corners with two equivalent S(2)Tb3Yb tetrahedra, corners with two equivalent S(3)TbYb2Pr tetrahedra, corners with four equivalent S(1)Tb2Pr3 trigonal bipyramids, corners with four equivalent S(6)Yb4 trigonal pyramids,  an edgeedge with one S(5)Yb3Pr2S octahedra,  an edgeedge with one S(1)Tb2Pr3 trigonal bipyramid, edges with two equivalent S(4)Yb2Pr2S trigonal bipyramids, and  an edgeedge with one S(6)Yb4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 30-79°. In the fifth S site, S(5) is bonded to three equivalent Yb(2), two equivalent Pr(1), and one S(4) atom to form SYb3Pr2S octahedra that share corners with two equivalent Yb(1)S6 octahedra, corners with two equivalent S(3)TbYb2Pr tetrahedra, corners with two equivalent S(4)Yb2Pr2S trigonal bipyramids, corners with four equivalent S(1)Tb2Pr3 trigonal bipyramids, corners with three equivalent S(6)Yb4 trigonal pyramids, edges with four equivalent S(5)Yb3Pr2S octahedra, edges with three equivalent S(3)TbYb2Pr tetrahedra,  an edgeedge with one S(1)Tb2Pr3 trigonal bipyramid, and  an edgeedge with one S(4)Yb2Pr2S trigonal bipyramid. The corner-sharing octahedral tilt angles are 66°. In the sixth S site, S(6) is bonded to one Yb(2) and three equivalent Yb(1) atoms to form distorted SYb4 trigonal pyramids that share corners with three equivalent S(5)Yb3Pr2S octahedra, corners with two equivalent S(3)TbYb2Pr tetrahedra, corners with three equivalent S(2)Tb3Yb tetrahedra, corners with four equivalent S(4)Yb2Pr2S trigonal bipyramids, corners with two equivalent S(6)Yb4 trigonal pyramids,  an edgeedge with one S(4)Yb2Pr2S trigonal bipyramid, and edges with two equivalent S(6)Yb4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 2-87°. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbYb2PrS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.139
_cell_length_b   11.003
_cell_length_c   11.487
_cell_angle_alpha   75.180
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   505.711
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Tb  Tb0  1  0.750  0.169  0.969  1.0
  Tb  Tb1  1  0.250  0.831  0.031  1.0
  Yb  Yb2  1  0.750  0.947  0.649  1.0
  Yb  Yb3  1  0.250  0.053  0.351  1.0
  Yb  Yb4  1  0.750  0.676  0.413  1.0
  Yb  Yb5  1  0.250  0.324  0.587  1.0
  Pr  Pr6  1  0.750  0.526  0.819  1.0
  Pr  Pr7  1  0.250  0.474  0.181  1.0
  S  S8  1  0.250  0.372  0.968  1.0
  S  S9  1  0.750  0.628  0.032  1.0
  S  S10  1  0.250  0.050  0.104  1.0
  S  S11  1  0.750  0.950  0.896  1.0
  S  S12  1  0.250  0.698  0.259  1.0
  S  S13  1  0.750  0.302  0.741  1.0
  S  S14  1  0.250  0.721  0.728  1.0
  S  S15  1  0.750  0.279  0.272  1.0
  S  S16  1  0.750  0.404  0.384  1.0
  S  S17  1  0.250  0.596  0.616  1.0
  S  S18  1  0.750  0.903  0.428  1.0
  S  S19  1  0.250  0.097  0.572  1.0
[/CIF]
.