The structure described by Tm2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 8-coordinate geometry to two equivalent S(1), three equivalent S(2), and three equivalent S(3) atoms. In the second Tm site, Tm(2) is bonded to two equivalent S(2), two equivalent S(3), and three equivalent S(1) atoms to form a mixture of distorted edge and corner-sharing TmS7 pentagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Tm(1) and three equivalent Tm(2) atoms to form a mixture of edge and corner-sharing STm5 square pyramids. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Tm(2) and three equivalent Tm(1) atoms. In the third S site, S(3) is bonded to two equivalent Tm(2) and three equivalent Tm(1) atoms to form a mixture of distorted edge and corner-sharing STm5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Tm2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.795
_cell_length_b   10.383
_cell_length_c   10.461
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   412.242
_cell_formula_units_Z   4
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  0.250  0.996  0.808  1.0
  Tm  Tm1  1  0.750  0.687  0.010  1.0
  Tm  Tm2  1  0.250  0.313  0.990  1.0
  Tm  Tm3  1  0.750  0.813  0.510  1.0
  Tm  Tm4  1  0.750  0.496  0.692  1.0
  Tm  Tm5  1  0.750  0.004  0.192  1.0
  Tm  Tm6  1  0.250  0.187  0.490  1.0
  Tm  Tm7  1  0.250  0.504  0.308  1.0
  S  S8  1  0.750  0.444  0.118  1.0
  S  S9  1  0.250  0.944  0.382  1.0
  S  S10  1  0.750  0.056  0.618  1.0
  S  S11  1  0.250  0.556  0.882  1.0
  S  S12  1  0.750  0.806  0.773  1.0
  S  S13  1  0.750  0.373  0.454  1.0
  S  S14  1  0.250  0.627  0.546  1.0
  S  S15  1  0.250  0.194  0.227  1.0
  S  S16  1  0.250  0.306  0.727  1.0
  S  S17  1  0.250  0.873  0.046  1.0
  S  S18  1  0.750  0.694  0.273  1.0
  S  S19  1  0.750  0.127  0.954  1.0
[/CIF]
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The structure described by Tm2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 8-coordinate geometry to two equivalent S(1), three equivalent S(2), and three equivalent S(3) atoms. In the second Tm site, Tm(2) is bonded to two equivalent S(2), two equivalent S(3), and three equivalent S(1) atoms to form a mixture of distorted edge and corner-sharing TmS7 pentagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Tm(1) and three equivalent Tm(2) atoms to form a mixture of edge and corner-sharing STm5 square pyramids. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Tm(2) and three equivalent Tm(1) atoms. In the third S site, S(3) is bonded to two equivalent Tm(2) and three equivalent Tm(1) atoms to form a mixture of distorted edge and corner-sharing STm5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Tm2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.795
_cell_length_b   10.383
_cell_length_c   10.461
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   412.242
_cell_formula_units_Z   4
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  0.250  0.996  0.808  1.0
  Tm  Tm1  1  0.750  0.687  0.010  1.0
  Tm  Tm2  1  0.250  0.313  0.990  1.0
  Tm  Tm3  1  0.750  0.813  0.510  1.0
  Tm  Tm4  1  0.750  0.496  0.692  1.0
  Tm  Tm5  1  0.750  0.004  0.192  1.0
  Tm  Tm6  1  0.250  0.187  0.490  1.0
  Tm  Tm7  1  0.250  0.504  0.308  1.0
  S  S8  1  0.750  0.444  0.118  1.0
  S  S9  1  0.250  0.944  0.382  1.0
  S  S10  1  0.750  0.056  0.618  1.0
  S  S11  1  0.250  0.556  0.882  1.0
  S  S12  1  0.750  0.806  0.773  1.0
  S  S13  1  0.750  0.373  0.454  1.0
  S  S14  1  0.250  0.627  0.546  1.0
  S  S15  1  0.250  0.194  0.227  1.0
  S  S16  1  0.250  0.306  0.727  1.0
  S  S17  1  0.250  0.873  0.046  1.0
  S  S18  1  0.750  0.694  0.273  1.0
  S  S19  1  0.750  0.127  0.954  1.0
[/CIF]
.