The compound described by Tm2S3 crystallizes in the monoclinic P2_1/m space group. There are six inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to one S(1), one S(5), two equivalent S(8), and three equivalent S(2) atoms to form distorted TmS7 pentagonal bipyramids that share  a cornercorner with one Tm(2)S6 octahedra, corners with four equivalent Tm(4)S6 octahedra, edges with two equivalent Tm(2)S6 octahedra, edges with two equivalent Tm(6)S6 octahedra, edges with four equivalent Tm(1)S7 pentagonal bipyramids, and  a faceface with one Tm(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 33-49°. In the second Tm site, Tm(2) is bonded to one S(2), one S(3), two equivalent S(1), and two equivalent S(7) atoms to form TmS6 octahedra that share corners with two equivalent Tm(4)S6 octahedra, corners with two equivalent Tm(6)S6 octahedra,  a cornercorner with one Tm(1)S7 pentagonal bipyramid,  a cornercorner with one Tm(3)S7 pentagonal bipyramid,  an edgeedge with one Tm(6)S6 octahedra, edges with two equivalent Tm(2)S6 octahedra, edges with two equivalent Tm(1)S7 pentagonal bipyramids, and edges with two equivalent Tm(5)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 14-62°. In the third Tm site, Tm(3) is bonded to one S(3), one S(4), two equivalent S(6), and three equivalent S(9) atoms to form distorted TmS7 pentagonal bipyramids that share  a cornercorner with one Tm(2)S6 octahedra,  a cornercorner with one Tm(6)S6 octahedra, corners with two equivalent Tm(5)S7 pentagonal bipyramids, edges with two equivalent Tm(6)S6 octahedra, edges with two equivalent Tm(5)S7 pentagonal bipyramids, edges with four equivalent Tm(3)S7 pentagonal bipyramids, and  a faceface with one Tm(5)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 33-34°. In the fourth Tm site, Tm(4) is bonded to one S(7), two equivalent S(8), and three equivalent S(5) atoms to form TmS6 octahedra that share corners with two equivalent Tm(2)S6 octahedra, corners with two equivalent Tm(6)S6 octahedra,  a cornercorner with one Tm(5)S7 pentagonal bipyramid, corners with four equivalent Tm(1)S7 pentagonal bipyramids, edges with four equivalent Tm(4)S6 octahedra, and  a faceface with one Tm(1)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 62-67°. In the fifth Tm site, Tm(5) is bonded to one S(4), one S(7), two equivalent S(3), and three equivalent S(6) atoms to form distorted TmS7 pentagonal bipyramids that share  a cornercorner with one Tm(4)S6 octahedra, corners with two equivalent Tm(6)S6 octahedra, corners with two equivalent Tm(3)S7 pentagonal bipyramids, edges with two equivalent Tm(2)S6 octahedra, edges with two equivalent Tm(3)S7 pentagonal bipyramids, edges with four equivalent Tm(5)S7 pentagonal bipyramids, and  a faceface with one Tm(3)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 49-51°. In the sixth Tm site, Tm(6) is bonded to one S(8), one S(9), two equivalent S(1), and two equivalent S(4) atoms to form TmS6 octahedra that share corners with two equivalent Tm(2)S6 octahedra, corners with two equivalent Tm(4)S6 octahedra,  a cornercorner with one Tm(3)S7 pentagonal bipyramid, corners with two equivalent Tm(5)S7 pentagonal bipyramids,  an edgeedge with one Tm(2)S6 octahedra, edges with two equivalent Tm(6)S6 octahedra, edges with two equivalent Tm(1)S7 pentagonal bipyramids, and edges with two equivalent Tm(3)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 14-67°. There are nine inequivalent S sites. In the first S site, S(1) is bonded to one Tm(1), two equivalent Tm(2), and two equivalent Tm(6) atoms to form STm5 square pyramids that share  a cornercorner with one S(2)Tm4 tetrahedra,  a cornercorner with one S(5)Tm4 trigonal pyramid, corners with two equivalent S(3)Tm4 trigonal pyramids, corners with two equivalent S(4)Tm4 trigonal pyramids, corners with two equivalent S(9)Tm4 trigonal pyramids, edges with two equivalent S(1)Tm5 square pyramids, edges with two equivalent S(2)Tm4 tetrahedra, edges with two equivalent S(8)Tm5 trigonal bipyramids, and  an edgeedge with one S(4)Tm4 trigonal pyramid. In the second S site, S(2) is bonded to one Tm(2) and three equivalent Tm(1) atoms to form STm4 tetrahedra that share  a cornercorner with one S(1)Tm5 square pyramid, corners with two equivalent S(2)Tm4 tetrahedra, corners with four equivalent S(8)Tm5 trigonal bipyramids,  a cornercorner with one S(3)Tm4 trigonal pyramid, corners with three equivalent S(5)Tm4 trigonal pyramids, edges with two equivalent S(1)Tm5 square pyramids, edges with two equivalent S(2)Tm4 tetrahedra, and  an edgeedge with one S(8)Tm5 trigonal bipyramid. In the third S site, S(3) is bonded to one Tm(2), one Tm(3), and two equivalent Tm(5) atoms to form distorted STm4 trigonal pyramids that share corners with two equivalent S(1)Tm5 square pyramids,  a cornercorner with one S(2)Tm4 tetrahedra, corners with two equivalent S(6)Tm5 trigonal bipyramids, corners with two equivalent S(3)Tm4 trigonal pyramids, corners with three equivalent S(4)Tm4 trigonal pyramids, corners with three equivalent S(9)Tm4 trigonal pyramids, and edges with three equivalent S(6)Tm5 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Tm(3), one Tm(5), and two equivalent Tm(6) atoms to form STm4 trigonal pyramids that share corners with two equivalent S(1)Tm5 square pyramids,  a cornercorner with one S(6)Tm5 trigonal bipyramid, corners with two equivalent S(8)Tm5 trigonal bipyramids,  a cornercorner with one S(9)Tm4 trigonal pyramid, corners with two equivalent S(4)Tm4 trigonal pyramids, corners with three equivalent S(3)Tm4 trigonal pyramids,  an edgeedge with one S(1)Tm5 square pyramid, edges with two equivalent S(6)Tm5 trigonal bipyramids, and edges with two equivalent S(9)Tm4 trigonal pyramids. In the fifth S site, S(5) is bonded to one Tm(1) and three equivalent Tm(4) atoms to form STm4 trigonal pyramids that share  a cornercorner with one S(1)Tm5 square pyramid, corners with three equivalent S(2)Tm4 tetrahedra, corners with two equivalent S(8)Tm5 trigonal bipyramids, corners with two equivalent S(5)Tm4 trigonal pyramids, edges with three equivalent S(8)Tm5 trigonal bipyramids, and edges with two equivalent S(5)Tm4 trigonal pyramids. In the sixth S site, S(6) is bonded to two equivalent Tm(3) and three equivalent Tm(5) atoms to form distorted STm5 trigonal bipyramids that share  a cornercorner with one S(4)Tm4 trigonal pyramid, corners with two equivalent S(3)Tm4 trigonal pyramids, corners with four equivalent S(9)Tm4 trigonal pyramids, edges with four equivalent S(6)Tm5 trigonal bipyramids,  an edgeedge with one S(9)Tm4 trigonal pyramid, edges with two equivalent S(4)Tm4 trigonal pyramids, and edges with three equivalent S(3)Tm4 trigonal pyramids. In the seventh S site, S(7) is bonded in a distorted rectangular see-saw-like geometry to one Tm(4), one Tm(5), and two equivalent Tm(2) atoms. In the eighth S site, S(8) is bonded to one Tm(6), two equivalent Tm(1), and two equivalent Tm(4) atoms to form distorted STm5 trigonal bipyramids that share corners with four equivalent S(2)Tm4 tetrahedra,  a cornercorner with one S(9)Tm4 trigonal pyramid, corners with two equivalent S(4)Tm4 trigonal pyramids, corners with two equivalent S(5)Tm4 trigonal pyramids, edges with two equivalent S(1)Tm5 square pyramids,  an edgeedge with one S(2)Tm4 tetrahedra, edges with two equivalent S(8)Tm5 trigonal bipyramids, and edges with three equivalent S(5)Tm4 trigonal pyramids. In the ninth S site, S(9) is bonded to one Tm(6) and three equivalent Tm(3) atoms to form distorted STm4 trigonal pyramids that share corners with two equivalent S(1)Tm5 square pyramids,  a cornercorner with one S(8)Tm5 trigonal bipyramid, corners with four equivalent S(6)Tm5 trigonal bipyramids,  a cornercorner with one S(4)Tm4 trigonal pyramid, corners with two equivalent S(9)Tm4 trigonal pyramids, corners with three equivalent S(3)Tm4 trigonal pyramids,  an edgeedge with one S(6)Tm5 trigonal bipyramid, edges with two equivalent S(4)Tm4 trigonal pyramids, and edges with two equivalent S(9)Tm4 trigonal pyramids. is represented by the CIF card [CIF]
data_Tm2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.952
_cell_length_b   10.021
_cell_length_c   17.417
_cell_angle_alpha   98.637
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   681.992
_cell_formula_units_Z   6
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
  Tm  Tm0  1  0.750  0.876  0.070  1.0
  Tm  Tm1  1  0.250  0.124  0.930  1.0
  Tm  Tm2  1  0.750  0.813  0.779  1.0
  Tm  Tm3  1  0.250  0.187  0.221  1.0
  Tm  Tm4  1  0.750  0.811  0.479  1.0
  Tm  Tm5  1  0.250  0.189  0.521  1.0
  Tm  Tm6  1  0.750  0.513  0.100  1.0
  Tm  Tm7  1  0.250  0.487  0.900  1.0
  Tm  Tm8  1  0.750  0.451  0.385  1.0
  Tm  Tm9  1  0.250  0.549  0.615  1.0
  Tm  Tm10  1  0.750  0.170  0.718  1.0
  Tm  Tm11  1  0.250  0.830  0.282  1.0
  S  S12  1  0.750  0.993  0.232  1.0
  S  S13  1  0.250  0.007  0.768  1.0
  S  S14  1  0.750  0.947  0.924  1.0
  S  S15  1  0.250  0.053  0.076  1.0
  S  S16  1  0.750  0.731  0.627  1.0
  S  S17  1  0.250  0.269  0.373  1.0
  S  S18  1  0.750  0.681  0.318  1.0
  S  S19  1  0.250  0.319  0.682  1.0
  S  S20  1  0.750  0.633  0.969  1.0
  S  S21  1  0.250  0.367  0.031  1.0
  S  S22  1  0.750  0.384  0.532  1.0
  S  S23  1  0.250  0.616  0.468  1.0
  S  S24  1  0.750  0.362  0.217  1.0
  S  S25  1  0.250  0.638  0.783  1.0
  S  S26  1  0.750  0.290  0.868  1.0
  S  S27  1  0.250  0.710  0.132  1.0
  S  S28  1  0.750  0.048  0.576  1.0
  S  S29  1  0.250  0.952  0.424  1.0
[/CIF]
.
The compound described by Tm2S3 crystallizes in the monoclinic P2_1/m space group. There are six inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to one S(1), one S(5), two equivalent S(8), and three equivalent S(2) atoms to form distorted TmS7 pentagonal bipyramids that share  a cornercorner with one Tm(2)S6 octahedra, corners with four equivalent Tm(4)S6 octahedra, edges with two equivalent Tm(2)S6 octahedra, edges with two equivalent Tm(6)S6 octahedra, edges with four equivalent Tm(1)S7 pentagonal bipyramids, and  a faceface with one Tm(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 33-49°. In the second Tm site, Tm(2) is bonded to one S(2), one S(3), two equivalent S(1), and two equivalent S(7) atoms to form TmS6 octahedra that share corners with two equivalent Tm(4)S6 octahedra, corners with two equivalent Tm(6)S6 octahedra,  a cornercorner with one Tm(1)S7 pentagonal bipyramid,  a cornercorner with one Tm(3)S7 pentagonal bipyramid,  an edgeedge with one Tm(6)S6 octahedra, edges with two equivalent Tm(2)S6 octahedra, edges with two equivalent Tm(1)S7 pentagonal bipyramids, and edges with two equivalent Tm(5)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 14-62°. In the third Tm site, Tm(3) is bonded to one S(3), one S(4), two equivalent S(6), and three equivalent S(9) atoms to form distorted TmS7 pentagonal bipyramids that share  a cornercorner with one Tm(2)S6 octahedra,  a cornercorner with one Tm(6)S6 octahedra, corners with two equivalent Tm(5)S7 pentagonal bipyramids, edges with two equivalent Tm(6)S6 octahedra, edges with two equivalent Tm(5)S7 pentagonal bipyramids, edges with four equivalent Tm(3)S7 pentagonal bipyramids, and  a faceface with one Tm(5)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 33-34°. In the fourth Tm site, Tm(4) is bonded to one S(7), two equivalent S(8), and three equivalent S(5) atoms to form TmS6 octahedra that share corners with two equivalent Tm(2)S6 octahedra, corners with two equivalent Tm(6)S6 octahedra,  a cornercorner with one Tm(5)S7 pentagonal bipyramid, corners with four equivalent Tm(1)S7 pentagonal bipyramids, edges with four equivalent Tm(4)S6 octahedra, and  a faceface with one Tm(1)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 62-67°. In the fifth Tm site, Tm(5) is bonded to one S(4), one S(7), two equivalent S(3), and three equivalent S(6) atoms to form distorted TmS7 pentagonal bipyramids that share  a cornercorner with one Tm(4)S6 octahedra, corners with two equivalent Tm(6)S6 octahedra, corners with two equivalent Tm(3)S7 pentagonal bipyramids, edges with two equivalent Tm(2)S6 octahedra, edges with two equivalent Tm(3)S7 pentagonal bipyramids, edges with four equivalent Tm(5)S7 pentagonal bipyramids, and  a faceface with one Tm(3)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 49-51°. In the sixth Tm site, Tm(6) is bonded to one S(8), one S(9), two equivalent S(1), and two equivalent S(4) atoms to form TmS6 octahedra that share corners with two equivalent Tm(2)S6 octahedra, corners with two equivalent Tm(4)S6 octahedra,  a cornercorner with one Tm(3)S7 pentagonal bipyramid, corners with two equivalent Tm(5)S7 pentagonal bipyramids,  an edgeedge with one Tm(2)S6 octahedra, edges with two equivalent Tm(6)S6 octahedra, edges with two equivalent Tm(1)S7 pentagonal bipyramids, and edges with two equivalent Tm(3)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 14-67°. There are nine inequivalent S sites. In the first S site, S(1) is bonded to one Tm(1), two equivalent Tm(2), and two equivalent Tm(6) atoms to form STm5 square pyramids that share  a cornercorner with one S(2)Tm4 tetrahedra,  a cornercorner with one S(5)Tm4 trigonal pyramid, corners with two equivalent S(3)Tm4 trigonal pyramids, corners with two equivalent S(4)Tm4 trigonal pyramids, corners with two equivalent S(9)Tm4 trigonal pyramids, edges with two equivalent S(1)Tm5 square pyramids, edges with two equivalent S(2)Tm4 tetrahedra, edges with two equivalent S(8)Tm5 trigonal bipyramids, and  an edgeedge with one S(4)Tm4 trigonal pyramid. In the second S site, S(2) is bonded to one Tm(2) and three equivalent Tm(1) atoms to form STm4 tetrahedra that share  a cornercorner with one S(1)Tm5 square pyramid, corners with two equivalent S(2)Tm4 tetrahedra, corners with four equivalent S(8)Tm5 trigonal bipyramids,  a cornercorner with one S(3)Tm4 trigonal pyramid, corners with three equivalent S(5)Tm4 trigonal pyramids, edges with two equivalent S(1)Tm5 square pyramids, edges with two equivalent S(2)Tm4 tetrahedra, and  an edgeedge with one S(8)Tm5 trigonal bipyramid. In the third S site, S(3) is bonded to one Tm(2), one Tm(3), and two equivalent Tm(5) atoms to form distorted STm4 trigonal pyramids that share corners with two equivalent S(1)Tm5 square pyramids,  a cornercorner with one S(2)Tm4 tetrahedra, corners with two equivalent S(6)Tm5 trigonal bipyramids, corners with two equivalent S(3)Tm4 trigonal pyramids, corners with three equivalent S(4)Tm4 trigonal pyramids, corners with three equivalent S(9)Tm4 trigonal pyramids, and edges with three equivalent S(6)Tm5 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Tm(3), one Tm(5), and two equivalent Tm(6) atoms to form STm4 trigonal pyramids that share corners with two equivalent S(1)Tm5 square pyramids,  a cornercorner with one S(6)Tm5 trigonal bipyramid, corners with two equivalent S(8)Tm5 trigonal bipyramids,  a cornercorner with one S(9)Tm4 trigonal pyramid, corners with two equivalent S(4)Tm4 trigonal pyramids, corners with three equivalent S(3)Tm4 trigonal pyramids,  an edgeedge with one S(1)Tm5 square pyramid, edges with two equivalent S(6)Tm5 trigonal bipyramids, and edges with two equivalent S(9)Tm4 trigonal pyramids. In the fifth S site, S(5) is bonded to one Tm(1) and three equivalent Tm(4) atoms to form STm4 trigonal pyramids that share  a cornercorner with one S(1)Tm5 square pyramid, corners with three equivalent S(2)Tm4 tetrahedra, corners with two equivalent S(8)Tm5 trigonal bipyramids, corners with two equivalent S(5)Tm4 trigonal pyramids, edges with three equivalent S(8)Tm5 trigonal bipyramids, and edges with two equivalent S(5)Tm4 trigonal pyramids. In the sixth S site, S(6) is bonded to two equivalent Tm(3) and three equivalent Tm(5) atoms to form distorted STm5 trigonal bipyramids that share  a cornercorner with one S(4)Tm4 trigonal pyramid, corners with two equivalent S(3)Tm4 trigonal pyramids, corners with four equivalent S(9)Tm4 trigonal pyramids, edges with four equivalent S(6)Tm5 trigonal bipyramids,  an edgeedge with one S(9)Tm4 trigonal pyramid, edges with two equivalent S(4)Tm4 trigonal pyramids, and edges with three equivalent S(3)Tm4 trigonal pyramids. In the seventh S site, S(7) is bonded in a distorted rectangular see-saw-like geometry to one Tm(4), one Tm(5), and two equivalent Tm(2) atoms. In the eighth S site, S(8) is bonded to one Tm(6), two equivalent Tm(1), and two equivalent Tm(4) atoms to form distorted STm5 trigonal bipyramids that share corners with four equivalent S(2)Tm4 tetrahedra,  a cornercorner with one S(9)Tm4 trigonal pyramid, corners with two equivalent S(4)Tm4 trigonal pyramids, corners with two equivalent S(5)Tm4 trigonal pyramids, edges with two equivalent S(1)Tm5 square pyramids,  an edgeedge with one S(2)Tm4 tetrahedra, edges with two equivalent S(8)Tm5 trigonal bipyramids, and edges with three equivalent S(5)Tm4 trigonal pyramids. In the ninth S site, S(9) is bonded to one Tm(6) and three equivalent Tm(3) atoms to form distorted STm4 trigonal pyramids that share corners with two equivalent S(1)Tm5 square pyramids,  a cornercorner with one S(8)Tm5 trigonal bipyramid, corners with four equivalent S(6)Tm5 trigonal bipyramids,  a cornercorner with one S(4)Tm4 trigonal pyramid, corners with two equivalent S(9)Tm4 trigonal pyramids, corners with three equivalent S(3)Tm4 trigonal pyramids,  an edgeedge with one S(6)Tm5 trigonal bipyramid, edges with two equivalent S(4)Tm4 trigonal pyramids, and edges with two equivalent S(9)Tm4 trigonal pyramids. is represented by the CIF card [CIF]
data_Tm2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.952
_cell_length_b   10.021
_cell_length_c   17.417
_cell_angle_alpha   98.637
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   681.992
_cell_formula_units_Z   6
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
  Tm  Tm0  1  0.750  0.876  0.070  1.0
  Tm  Tm1  1  0.250  0.124  0.930  1.0
  Tm  Tm2  1  0.750  0.813  0.779  1.0
  Tm  Tm3  1  0.250  0.187  0.221  1.0
  Tm  Tm4  1  0.750  0.811  0.479  1.0
  Tm  Tm5  1  0.250  0.189  0.521  1.0
  Tm  Tm6  1  0.750  0.513  0.100  1.0
  Tm  Tm7  1  0.250  0.487  0.900  1.0
  Tm  Tm8  1  0.750  0.451  0.385  1.0
  Tm  Tm9  1  0.250  0.549  0.615  1.0
  Tm  Tm10  1  0.750  0.170  0.718  1.0
  Tm  Tm11  1  0.250  0.830  0.282  1.0
  S  S12  1  0.750  0.993  0.232  1.0
  S  S13  1  0.250  0.007  0.768  1.0
  S  S14  1  0.750  0.947  0.924  1.0
  S  S15  1  0.250  0.053  0.076  1.0
  S  S16  1  0.750  0.731  0.627  1.0
  S  S17  1  0.250  0.269  0.373  1.0
  S  S18  1  0.750  0.681  0.318  1.0
  S  S19  1  0.250  0.319  0.682  1.0
  S  S20  1  0.750  0.633  0.969  1.0
  S  S21  1  0.250  0.367  0.031  1.0
  S  S22  1  0.750  0.384  0.532  1.0
  S  S23  1  0.250  0.616  0.468  1.0
  S  S24  1  0.750  0.362  0.217  1.0
  S  S25  1  0.250  0.638  0.783  1.0
  S  S26  1  0.750  0.290  0.868  1.0
  S  S27  1  0.250  0.710  0.132  1.0
  S  S28  1  0.750  0.048  0.576  1.0
  S  S29  1  0.250  0.952  0.424  1.0
[/CIF]
.