The material described by TmAgS2 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to one S(1), one S(2), one S(4), one S(5), one S(6), and one S(8) atom to form TmS6 octahedra that share corners with four equivalent Tm(3)S6 octahedra,  a cornercorner with one Ag(3)S5 trigonal bipyramid, edges with two equivalent Tm(2)S6 octahedra, edges with two equivalent Tm(4)S6 octahedra, edges with two equivalent Ag(1)S5 trigonal bipyramids, and edges with two equivalent Ag(3)S5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 15-20°. In the second Tm site, Tm(2) is bonded to one S(4), one S(6), two equivalent S(3), and two equivalent S(5) atoms to form TmS6 octahedra that share corners with four equivalent Tm(2)S6 octahedra, corners with two equivalent Ag(3)S5 trigonal bipyramids, edges with two equivalent Tm(1)S6 octahedra, edges with two equivalent Tm(3)S6 octahedra, and edges with two equivalent Ag(1)S5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 15-20°. In the third Tm site, Tm(3) is bonded to one S(1), one S(3), one S(4), one S(6), one S(7), and one S(8) atom to form TmS6 octahedra that share corners with four equivalent Tm(1)S6 octahedra,  a cornercorner with one Ag(1)S5 trigonal bipyramid, edges with two equivalent Tm(2)S6 octahedra, edges with two equivalent Tm(4)S6 octahedra, edges with two equivalent Ag(1)S5 trigonal bipyramids, and edges with two equivalent Ag(3)S5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 15-20°. In the fourth Tm site, Tm(4) is bonded to one S(1), one S(8), two equivalent S(2), and two equivalent S(7) atoms to form TmS6 octahedra that share corners with four equivalent Tm(4)S6 octahedra, corners with two equivalent Ag(1)S5 trigonal bipyramids, edges with two equivalent Tm(1)S6 octahedra, edges with two equivalent Tm(3)S6 octahedra, and edges with two equivalent Ag(3)S5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 15-20°. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one S(1), one S(3), one S(4), one S(6), and one S(8) atom to form distorted AgS5 trigonal bipyramids that share  a cornercorner with one Tm(3)S6 octahedra, corners with two equivalent Tm(4)S6 octahedra, corners with four equivalent Ag(3)S5 trigonal bipyramids, edges with two equivalent Tm(1)S6 octahedra, edges with two equivalent Tm(2)S6 octahedra, and edges with two equivalent Tm(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 7-79°. In the second Ag site, Ag(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent S(3) and two equivalent S(5) atoms. In the third Ag site, Ag(3) is bonded to one S(1), one S(2), one S(4), one S(6), and one S(8) atom to form distorted AgS5 trigonal bipyramids that share  a cornercorner with one Tm(1)S6 octahedra, corners with two equivalent Tm(2)S6 octahedra, corners with four equivalent Ag(1)S5 trigonal bipyramids, edges with two equivalent Tm(1)S6 octahedra, edges with two equivalent Tm(3)S6 octahedra, and edges with two equivalent Tm(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 8-76°. In the fourth Ag site, Ag(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent S(2) and two equivalent S(7) atoms. There are eight inequivalent S sites. In the first S site, S(1) is bonded to one Tm(1), one Tm(3), one Tm(4), one Ag(1), and one Ag(3) atom to form STm3Ag2 square pyramids that share corners with two equivalent S(3)Tm3Ag3 octahedra,  a cornercorner with one S(5)Tm3Ag2 square pyramid,  a cornercorner with one S(7)Tm3Ag2 square pyramid, edges with two equivalent S(2)Tm3Ag3 octahedra,  an edgeedge with one S(7)Tm3Ag2 square pyramid, and edges with two equivalent S(6)Tm3Ag2 square pyramids. The corner-sharing octahedral tilt angles range from 79-81°. In the second S site, S(2) is bonded to one Tm(1), two equivalent Tm(4), one Ag(3), and two equivalent Ag(4) atoms to form distorted STm3Ag3 octahedra that share  a cornercorner with one S(5)Tm3Ag2 square pyramid, corners with two equivalent S(6)Tm3Ag2 square pyramids, corners with four equivalent S(7)Tm3Ag2 square pyramids, edges with two equivalent S(2)Tm3Ag3 octahedra, edges with two equivalent S(1)Tm3Ag2 square pyramids, and edges with two equivalent S(7)Tm3Ag2 square pyramids. In the third S site, S(3) is bonded to one Tm(3), two equivalent Tm(2), one Ag(1), and two equivalent Ag(2) atoms to form distorted STm3Ag3 octahedra that share  a cornercorner with one S(7)Tm3Ag2 square pyramid, corners with two equivalent S(1)Tm3Ag2 square pyramids, corners with four equivalent S(5)Tm3Ag2 square pyramids, edges with two equivalent S(3)Tm3Ag3 octahedra, edges with two equivalent S(5)Tm3Ag2 square pyramids, and edges with two equivalent S(6)Tm3Ag2 square pyramids. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Tm(1), one Tm(2), one Tm(3), one Ag(1), and one Ag(3) atom. In the fifth S site, S(5) is bonded to one Tm(1), two equivalent Tm(2), and two equivalent Ag(2) atoms to form STm3Ag2 square pyramids that share  a cornercorner with one S(2)Tm3Ag3 octahedra, corners with four equivalent S(3)Tm3Ag3 octahedra,  a cornercorner with one S(1)Tm3Ag2 square pyramid,  a cornercorner with one S(6)Tm3Ag2 square pyramid, edges with two equivalent S(3)Tm3Ag3 octahedra,  an edgeedge with one S(6)Tm3Ag2 square pyramid, and edges with two equivalent S(5)Tm3Ag2 square pyramids. The corner-sharing octahedral tilt angles range from 4-25°. In the sixth S site, S(6) is bonded to one Tm(1), one Tm(2), one Tm(3), one Ag(1), and one Ag(3) atom to form distorted STm3Ag2 square pyramids that share corners with two equivalent S(2)Tm3Ag3 octahedra,  a cornercorner with one S(5)Tm3Ag2 square pyramid,  a cornercorner with one S(7)Tm3Ag2 square pyramid, edges with two equivalent S(3)Tm3Ag3 octahedra,  an edgeedge with one S(5)Tm3Ag2 square pyramid, and edges with two equivalent S(1)Tm3Ag2 square pyramids. The corner-sharing octahedral tilt angles range from 77-80°. In the seventh S site, S(7) is bonded to one Tm(3), two equivalent Tm(4), and two equivalent Ag(4) atoms to form STm3Ag2 square pyramids that share  a cornercorner with one S(3)Tm3Ag3 octahedra, corners with four equivalent S(2)Tm3Ag3 octahedra,  a cornercorner with one S(1)Tm3Ag2 square pyramid,  a cornercorner with one S(6)Tm3Ag2 square pyramid, edges with two equivalent S(2)Tm3Ag3 octahedra,  an edgeedge with one S(1)Tm3Ag2 square pyramid, and edges with two equivalent S(7)Tm3Ag2 square pyramids. The corner-sharing octahedral tilt angles range from 4-23°. In the eighth S site, S(8) is bonded in a 5-coordinate geometry to one Tm(1), one Tm(3), one Tm(4), one Ag(1), and one Ag(3) atom. is represented by the CIF file [CIF]
data_TmAgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.589
_cell_length_b   7.587
_cell_length_c   12.334
_cell_angle_alpha   89.978
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   710.170
_cell_formula_units_Z   8
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  0.723  0.499  0.255  1.0
  Tm  Tm1  1  0.223  0.501  0.745  1.0
  Tm  Tm2  1  0.971  0.753  0.502  1.0
  Tm  Tm3  1  0.471  0.247  0.498  1.0
  Tm  Tm4  1  0.717  1.000  0.754  1.0
  Tm  Tm5  1  0.217  0.000  0.246  1.0
  Tm  Tm6  1  0.470  0.747  0.004  1.0
  Tm  Tm7  1  0.970  0.253  0.996  1.0
  Ag  Ag8  1  0.719  0.999  0.283  1.0
  Ag  Ag9  1  0.219  0.001  0.717  1.0
  Ag  Ag10  1  0.471  0.748  0.522  1.0
  Ag  Ag11  1  0.971  0.252  0.478  1.0
  Ag  Ag12  1  0.222  0.503  0.203  1.0
  Ag  Ag13  1  0.722  0.497  0.797  1.0
  Ag  Ag14  1  0.970  0.754  0.019  1.0
  Ag  Ag15  1  0.470  0.246  0.981  1.0
  S  S16  1  0.454  0.733  0.225  1.0
  S  S17  1  0.954  0.267  0.775  1.0
  S  S18  1  0.740  0.519  0.034  1.0
  S  S19  1  0.240  0.481  0.966  1.0
  S  S20  1  0.702  0.981  0.534  1.0
  S  S21  1  0.202  0.019  0.466  1.0
  S  S22  1  0.953  0.768  0.283  1.0
  S  S23  1  0.453  0.232  0.717  1.0
  S  S24  1  0.738  0.483  0.475  1.0
  S  S25  1  0.238  0.517  0.525  1.0
  S  S26  1  0.988  0.767  0.724  1.0
  S  S27  1  0.488  0.233  0.276  1.0
  S  S28  1  0.206  0.985  0.025  1.0
  S  S29  1  0.706  0.015  0.975  1.0
  S  S30  1  0.990  0.270  0.216  1.0
  S  S31  1  0.490  0.730  0.784  1.0
[/CIF]
.
The material described by TmAgS2 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to one S(1), one S(2), one S(4), one S(5), one S(6), and one S(8) atom to form TmS6 octahedra that share corners with four equivalent Tm(3)S6 octahedra,  a cornercorner with one Ag(3)S5 trigonal bipyramid, edges with two equivalent Tm(2)S6 octahedra, edges with two equivalent Tm(4)S6 octahedra, edges with two equivalent Ag(1)S5 trigonal bipyramids, and edges with two equivalent Ag(3)S5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 15-20°. In the second Tm site, Tm(2) is bonded to one S(4), one S(6), two equivalent S(3), and two equivalent S(5) atoms to form TmS6 octahedra that share corners with four equivalent Tm(2)S6 octahedra, corners with two equivalent Ag(3)S5 trigonal bipyramids, edges with two equivalent Tm(1)S6 octahedra, edges with two equivalent Tm(3)S6 octahedra, and edges with two equivalent Ag(1)S5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 15-20°. In the third Tm site, Tm(3) is bonded to one S(1), one S(3), one S(4), one S(6), one S(7), and one S(8) atom to form TmS6 octahedra that share corners with four equivalent Tm(1)S6 octahedra,  a cornercorner with one Ag(1)S5 trigonal bipyramid, edges with two equivalent Tm(2)S6 octahedra, edges with two equivalent Tm(4)S6 octahedra, edges with two equivalent Ag(1)S5 trigonal bipyramids, and edges with two equivalent Ag(3)S5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 15-20°. In the fourth Tm site, Tm(4) is bonded to one S(1), one S(8), two equivalent S(2), and two equivalent S(7) atoms to form TmS6 octahedra that share corners with four equivalent Tm(4)S6 octahedra, corners with two equivalent Ag(1)S5 trigonal bipyramids, edges with two equivalent Tm(1)S6 octahedra, edges with two equivalent Tm(3)S6 octahedra, and edges with two equivalent Ag(3)S5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 15-20°. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one S(1), one S(3), one S(4), one S(6), and one S(8) atom to form distorted AgS5 trigonal bipyramids that share  a cornercorner with one Tm(3)S6 octahedra, corners with two equivalent Tm(4)S6 octahedra, corners with four equivalent Ag(3)S5 trigonal bipyramids, edges with two equivalent Tm(1)S6 octahedra, edges with two equivalent Tm(2)S6 octahedra, and edges with two equivalent Tm(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 7-79°. In the second Ag site, Ag(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent S(3) and two equivalent S(5) atoms. In the third Ag site, Ag(3) is bonded to one S(1), one S(2), one S(4), one S(6), and one S(8) atom to form distorted AgS5 trigonal bipyramids that share  a cornercorner with one Tm(1)S6 octahedra, corners with two equivalent Tm(2)S6 octahedra, corners with four equivalent Ag(1)S5 trigonal bipyramids, edges with two equivalent Tm(1)S6 octahedra, edges with two equivalent Tm(3)S6 octahedra, and edges with two equivalent Tm(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 8-76°. In the fourth Ag site, Ag(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent S(2) and two equivalent S(7) atoms. There are eight inequivalent S sites. In the first S site, S(1) is bonded to one Tm(1), one Tm(3), one Tm(4), one Ag(1), and one Ag(3) atom to form STm3Ag2 square pyramids that share corners with two equivalent S(3)Tm3Ag3 octahedra,  a cornercorner with one S(5)Tm3Ag2 square pyramid,  a cornercorner with one S(7)Tm3Ag2 square pyramid, edges with two equivalent S(2)Tm3Ag3 octahedra,  an edgeedge with one S(7)Tm3Ag2 square pyramid, and edges with two equivalent S(6)Tm3Ag2 square pyramids. The corner-sharing octahedral tilt angles range from 79-81°. In the second S site, S(2) is bonded to one Tm(1), two equivalent Tm(4), one Ag(3), and two equivalent Ag(4) atoms to form distorted STm3Ag3 octahedra that share  a cornercorner with one S(5)Tm3Ag2 square pyramid, corners with two equivalent S(6)Tm3Ag2 square pyramids, corners with four equivalent S(7)Tm3Ag2 square pyramids, edges with two equivalent S(2)Tm3Ag3 octahedra, edges with two equivalent S(1)Tm3Ag2 square pyramids, and edges with two equivalent S(7)Tm3Ag2 square pyramids. In the third S site, S(3) is bonded to one Tm(3), two equivalent Tm(2), one Ag(1), and two equivalent Ag(2) atoms to form distorted STm3Ag3 octahedra that share  a cornercorner with one S(7)Tm3Ag2 square pyramid, corners with two equivalent S(1)Tm3Ag2 square pyramids, corners with four equivalent S(5)Tm3Ag2 square pyramids, edges with two equivalent S(3)Tm3Ag3 octahedra, edges with two equivalent S(5)Tm3Ag2 square pyramids, and edges with two equivalent S(6)Tm3Ag2 square pyramids. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Tm(1), one Tm(2), one Tm(3), one Ag(1), and one Ag(3) atom. In the fifth S site, S(5) is bonded to one Tm(1), two equivalent Tm(2), and two equivalent Ag(2) atoms to form STm3Ag2 square pyramids that share  a cornercorner with one S(2)Tm3Ag3 octahedra, corners with four equivalent S(3)Tm3Ag3 octahedra,  a cornercorner with one S(1)Tm3Ag2 square pyramid,  a cornercorner with one S(6)Tm3Ag2 square pyramid, edges with two equivalent S(3)Tm3Ag3 octahedra,  an edgeedge with one S(6)Tm3Ag2 square pyramid, and edges with two equivalent S(5)Tm3Ag2 square pyramids. The corner-sharing octahedral tilt angles range from 4-25°. In the sixth S site, S(6) is bonded to one Tm(1), one Tm(2), one Tm(3), one Ag(1), and one Ag(3) atom to form distorted STm3Ag2 square pyramids that share corners with two equivalent S(2)Tm3Ag3 octahedra,  a cornercorner with one S(5)Tm3Ag2 square pyramid,  a cornercorner with one S(7)Tm3Ag2 square pyramid, edges with two equivalent S(3)Tm3Ag3 octahedra,  an edgeedge with one S(5)Tm3Ag2 square pyramid, and edges with two equivalent S(1)Tm3Ag2 square pyramids. The corner-sharing octahedral tilt angles range from 77-80°. In the seventh S site, S(7) is bonded to one Tm(3), two equivalent Tm(4), and two equivalent Ag(4) atoms to form STm3Ag2 square pyramids that share  a cornercorner with one S(3)Tm3Ag3 octahedra, corners with four equivalent S(2)Tm3Ag3 octahedra,  a cornercorner with one S(1)Tm3Ag2 square pyramid,  a cornercorner with one S(6)Tm3Ag2 square pyramid, edges with two equivalent S(2)Tm3Ag3 octahedra,  an edgeedge with one S(1)Tm3Ag2 square pyramid, and edges with two equivalent S(7)Tm3Ag2 square pyramids. The corner-sharing octahedral tilt angles range from 4-23°. In the eighth S site, S(8) is bonded in a 5-coordinate geometry to one Tm(1), one Tm(3), one Tm(4), one Ag(1), and one Ag(3) atom. is represented by the CIF file [CIF]
data_TmAgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.589
_cell_length_b   7.587
_cell_length_c   12.334
_cell_angle_alpha   89.978
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   710.170
_cell_formula_units_Z   8
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  0.723  0.499  0.255  1.0
  Tm  Tm1  1  0.223  0.501  0.745  1.0
  Tm  Tm2  1  0.971  0.753  0.502  1.0
  Tm  Tm3  1  0.471  0.247  0.498  1.0
  Tm  Tm4  1  0.717  1.000  0.754  1.0
  Tm  Tm5  1  0.217  0.000  0.246  1.0
  Tm  Tm6  1  0.470  0.747  0.004  1.0
  Tm  Tm7  1  0.970  0.253  0.996  1.0
  Ag  Ag8  1  0.719  0.999  0.283  1.0
  Ag  Ag9  1  0.219  0.001  0.717  1.0
  Ag  Ag10  1  0.471  0.748  0.522  1.0
  Ag  Ag11  1  0.971  0.252  0.478  1.0
  Ag  Ag12  1  0.222  0.503  0.203  1.0
  Ag  Ag13  1  0.722  0.497  0.797  1.0
  Ag  Ag14  1  0.970  0.754  0.019  1.0
  Ag  Ag15  1  0.470  0.246  0.981  1.0
  S  S16  1  0.454  0.733  0.225  1.0
  S  S17  1  0.954  0.267  0.775  1.0
  S  S18  1  0.740  0.519  0.034  1.0
  S  S19  1  0.240  0.481  0.966  1.0
  S  S20  1  0.702  0.981  0.534  1.0
  S  S21  1  0.202  0.019  0.466  1.0
  S  S22  1  0.953  0.768  0.283  1.0
  S  S23  1  0.453  0.232  0.717  1.0
  S  S24  1  0.738  0.483  0.475  1.0
  S  S25  1  0.238  0.517  0.525  1.0
  S  S26  1  0.988  0.767  0.724  1.0
  S  S27  1  0.488  0.233  0.276  1.0
  S  S28  1  0.206  0.985  0.025  1.0
  S  S29  1  0.706  0.015  0.975  1.0
  S  S30  1  0.990  0.270  0.216  1.0
  S  S31  1  0.490  0.730  0.784  1.0
[/CIF]
.