The structure described by Tm2S3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to six equivalent S(1) atoms to form a mixture of distorted edge and corner-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Tm site, Tm(2) is bonded to six equivalent S(1) atoms to form a mixture of edge and corner-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles are 51°. S(1) is bonded to one Tm(2) and three equivalent Tm(1) atoms to form a mixture of edge and corner-sharing STm4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.813
_cell_length_b   10.813
_cell_length_c   10.813
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   973.230
_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  0.952  0.250  0.202  1.0
  Tm  Tm1  1  0.750  0.298  0.548  1.0
  Tm  Tm2  1  0.202  0.952  0.250  1.0
  Tm  Tm3  1  0.298  0.548  0.750  1.0
  Tm  Tm4  1  0.250  0.202  0.952  1.0
  Tm  Tm5  1  0.548  0.750  0.298  1.0
  Tm  Tm6  1  0.048  0.750  0.798  1.0
  Tm  Tm7  1  0.250  0.702  0.452  1.0
  Tm  Tm8  1  0.798  0.048  0.750  1.0
  Tm  Tm9  1  0.702  0.452  0.250  1.0
  Tm  Tm10  1  0.750  0.798  0.048  1.0
  Tm  Tm11  1  0.452  0.250  0.702  1.0
  Tm  Tm12  1  0.000  0.500  0.000  1.0
  Tm  Tm13  1  0.500  0.000  0.000  1.0
  Tm  Tm14  1  0.000  0.000  0.500  1.0
  Tm  Tm15  1  0.500  0.500  0.500  1.0
  S  S16  1  0.054  0.277  0.010  1.0
  S  S17  1  0.767  0.044  0.490  1.0
  S  S18  1  0.733  0.223  0.277  1.0
  S  S19  1  0.456  0.223  0.446  1.0
  S  S20  1  0.223  0.446  0.456  1.0
  S  S21  1  0.010  0.054  0.277  1.0
  S  S22  1  0.044  0.490  0.767  1.0
  S  S23  1  0.277  0.733  0.223  1.0
  S  S24  1  0.277  0.010  0.054  1.0
  S  S25  1  0.490  0.767  0.044  1.0
  S  S26  1  0.223  0.277  0.733  1.0
  S  S27  1  0.446  0.456  0.223  1.0
  S  S28  1  0.946  0.723  0.990  1.0
  S  S29  1  0.233  0.956  0.510  1.0
  S  S30  1  0.267  0.777  0.723  1.0
  S  S31  1  0.544  0.777  0.554  1.0
  S  S32  1  0.554  0.544  0.777  1.0
  S  S33  1  0.777  0.723  0.267  1.0
  S  S34  1  0.510  0.233  0.956  1.0
  S  S35  1  0.723  0.990  0.946  1.0
  S  S36  1  0.723  0.267  0.777  1.0
  S  S37  1  0.956  0.510  0.233  1.0
  S  S38  1  0.990  0.946  0.723  1.0
  S  S39  1  0.777  0.554  0.544  1.0
[/CIF]
.
The structure described by Tm2S3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to six equivalent S(1) atoms to form a mixture of distorted edge and corner-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Tm site, Tm(2) is bonded to six equivalent S(1) atoms to form a mixture of edge and corner-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles are 51°. S(1) is bonded to one Tm(2) and three equivalent Tm(1) atoms to form a mixture of edge and corner-sharing STm4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.813
_cell_length_b   10.813
_cell_length_c   10.813
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   973.230
_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  0.952  0.250  0.202  1.0
  Tm  Tm1  1  0.750  0.298  0.548  1.0
  Tm  Tm2  1  0.202  0.952  0.250  1.0
  Tm  Tm3  1  0.298  0.548  0.750  1.0
  Tm  Tm4  1  0.250  0.202  0.952  1.0
  Tm  Tm5  1  0.548  0.750  0.298  1.0
  Tm  Tm6  1  0.048  0.750  0.798  1.0
  Tm  Tm7  1  0.250  0.702  0.452  1.0
  Tm  Tm8  1  0.798  0.048  0.750  1.0
  Tm  Tm9  1  0.702  0.452  0.250  1.0
  Tm  Tm10  1  0.750  0.798  0.048  1.0
  Tm  Tm11  1  0.452  0.250  0.702  1.0
  Tm  Tm12  1  0.000  0.500  0.000  1.0
  Tm  Tm13  1  0.500  0.000  0.000  1.0
  Tm  Tm14  1  0.000  0.000  0.500  1.0
  Tm  Tm15  1  0.500  0.500  0.500  1.0
  S  S16  1  0.054  0.277  0.010  1.0
  S  S17  1  0.767  0.044  0.490  1.0
  S  S18  1  0.733  0.223  0.277  1.0
  S  S19  1  0.456  0.223  0.446  1.0
  S  S20  1  0.223  0.446  0.456  1.0
  S  S21  1  0.010  0.054  0.277  1.0
  S  S22  1  0.044  0.490  0.767  1.0
  S  S23  1  0.277  0.733  0.223  1.0
  S  S24  1  0.277  0.010  0.054  1.0
  S  S25  1  0.490  0.767  0.044  1.0
  S  S26  1  0.223  0.277  0.733  1.0
  S  S27  1  0.446  0.456  0.223  1.0
  S  S28  1  0.946  0.723  0.990  1.0
  S  S29  1  0.233  0.956  0.510  1.0
  S  S30  1  0.267  0.777  0.723  1.0
  S  S31  1  0.544  0.777  0.554  1.0
  S  S32  1  0.554  0.544  0.777  1.0
  S  S33  1  0.777  0.723  0.267  1.0
  S  S34  1  0.510  0.233  0.956  1.0
  S  S35  1  0.723  0.990  0.946  1.0
  S  S36  1  0.723  0.267  0.777  1.0
  S  S37  1  0.956  0.510  0.233  1.0
  S  S38  1  0.990  0.946  0.723  1.0
  S  S39  1  0.777  0.554  0.544  1.0
[/CIF]
.