The material described by Tb2S3 crystallizes in the tetragonal I-42d space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-coordinate geometry to two equivalent S(2), three equivalent S(1), and three equivalent S(3) atoms. In the second Tb site, Tb(2) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(3), and four equivalent S(1) atoms. In the third Tb site, Tb(3) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Tb(3), two equivalent Tb(2), and three equivalent Tb(1) atoms to form distorted STb6 octahedra that share corners with three equivalent S(1)Tb6 octahedra, corners with seven equivalent S(3)Tb5 square pyramids, corners with five equivalent S(2)Tb5 trigonal bipyramids, edges with two equivalent S(1)Tb6 octahedra,  an edgeedge with one S(3)Tb5 square pyramid, edges with three equivalent S(2)Tb5 trigonal bipyramids, faces with two equivalent S(1)Tb6 octahedra, faces with two equivalent S(3)Tb5 square pyramids, and  a faceface with one S(2)Tb5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 21-47°. In the second S site, S(2) is bonded to one Tb(2), two equivalent Tb(1), and two equivalent Tb(3) atoms to form distorted STb5 trigonal bipyramids that share corners with five equivalent S(1)Tb6 octahedra, corners with four equivalent S(3)Tb5 square pyramids, corners with four equivalent S(2)Tb5 trigonal bipyramids, edges with three equivalent S(1)Tb6 octahedra, edges with four equivalent S(3)Tb5 square pyramids,  an edgeedge with one S(2)Tb5 trigonal bipyramid,  a faceface with one S(1)Tb6 octahedra, and  a faceface with one S(2)Tb5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 26-51°. In the third S site, S(3) is bonded to one Tb(2), one Tb(3), and three equivalent Tb(1) atoms to form distorted STb5 square pyramids that share corners with seven equivalent S(1)Tb6 octahedra, corners with five equivalent S(3)Tb5 square pyramids, corners with four equivalent S(2)Tb5 trigonal bipyramids,  an edgeedge with one S(1)Tb6 octahedra, edges with four equivalent S(2)Tb5 trigonal bipyramids, faces with two equivalent S(1)Tb6 octahedra, and  a faceface with one S(3)Tb5 square pyramid. The corner-sharing octahedral tilt angles range from 13-55°. is represented by the CIF file [CIF]
data_Tb2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   21.669
_cell_length_b   8.351
_cell_length_c   8.351
_cell_angle_alpha   89.999
_cell_angle_beta   54.686
_cell_angle_gamma   54.686
_symmetry_Int_Tables_number   1
_cell_volume   870.296
_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
  Tb  Tb0  1  0.993  0.401  0.249  1.0
  Tb  Tb1  1  0.993  0.119  0.771  1.0
  Tb  Tb2  1  0.088  0.618  0.368  1.0
  Tb  Tb3  1  0.167  0.250  0.632  1.0
  Tb  Tb4  1  0.340  0.381  0.251  1.0
  Tb  Tb5  1  0.246  0.882  0.132  1.0
  Tb  Tb6  1  0.340  0.099  0.729  1.0
  Tb  Tb7  1  0.167  0.750  0.868  1.0
  Tb  Tb8  1  0.493  0.271  0.619  1.0
  Tb  Tb9  1  0.667  0.368  0.250  1.0
  Tb  Tb10  1  0.588  0.868  0.118  1.0
  Tb  Tb11  1  0.667  0.132  0.750  1.0
  Tb  Tb12  1  0.493  0.749  0.901  1.0
  Tb  Tb13  1  0.746  0.632  0.382  1.0
  Tb  Tb14  1  0.840  0.229  0.599  1.0
  Tb  Tb15  1  0.840  0.751  0.881  1.0
  S  S16  1  0.048  0.997  0.364  1.0
  S  S17  1  0.130  0.485  0.989  1.0
  S  S18  1  0.048  0.360  0.493  1.0
  S  S19  1  0.286  0.140  0.136  1.0
  S  S20  1  0.286  0.503  0.007  1.0
  S  S21  1  0.203  0.015  0.879  1.0
  S  S22  1  0.130  0.625  0.621  1.0
  S  S23  1  0.382  0.002  0.349  1.0
  S  S24  1  0.203  0.875  0.510  1.0
  S  S25  1  0.451  0.495  0.998  1.0
  S  S26  1  0.382  0.352  0.505  1.0
  S  S27  1  0.630  0.121  0.125  1.0
  S  S28  1  0.630  0.490  0.985  1.0
  S  S29  1  0.548  0.993  0.860  1.0
  S  S30  1  0.451  0.651  0.648  1.0
  S  S31  1  0.703  0.010  0.375  1.0
  S  S32  1  0.548  0.864  0.497  1.0
  S  S33  1  0.786  0.507  0.003  1.0
  S  S34  1  0.703  0.379  0.515  1.0
  S  S35  1  0.951  0.148  0.151  1.0
  S  S36  1  0.951  0.498  0.995  1.0
  S  S37  1  0.786  0.636  0.640  1.0
  S  S38  1  0.882  0.005  0.852  1.0
  S  S39  1  0.882  0.849  0.502  1.0
[/CIF]
.
The material described by Tb2S3 crystallizes in the tetragonal I-42d space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-coordinate geometry to two equivalent S(2), three equivalent S(1), and three equivalent S(3) atoms. In the second Tb site, Tb(2) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(3), and four equivalent S(1) atoms. In the third Tb site, Tb(3) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Tb(3), two equivalent Tb(2), and three equivalent Tb(1) atoms to form distorted STb6 octahedra that share corners with three equivalent S(1)Tb6 octahedra, corners with seven equivalent S(3)Tb5 square pyramids, corners with five equivalent S(2)Tb5 trigonal bipyramids, edges with two equivalent S(1)Tb6 octahedra,  an edgeedge with one S(3)Tb5 square pyramid, edges with three equivalent S(2)Tb5 trigonal bipyramids, faces with two equivalent S(1)Tb6 octahedra, faces with two equivalent S(3)Tb5 square pyramids, and  a faceface with one S(2)Tb5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 21-47°. In the second S site, S(2) is bonded to one Tb(2), two equivalent Tb(1), and two equivalent Tb(3) atoms to form distorted STb5 trigonal bipyramids that share corners with five equivalent S(1)Tb6 octahedra, corners with four equivalent S(3)Tb5 square pyramids, corners with four equivalent S(2)Tb5 trigonal bipyramids, edges with three equivalent S(1)Tb6 octahedra, edges with four equivalent S(3)Tb5 square pyramids,  an edgeedge with one S(2)Tb5 trigonal bipyramid,  a faceface with one S(1)Tb6 octahedra, and  a faceface with one S(2)Tb5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 26-51°. In the third S site, S(3) is bonded to one Tb(2), one Tb(3), and three equivalent Tb(1) atoms to form distorted STb5 square pyramids that share corners with seven equivalent S(1)Tb6 octahedra, corners with five equivalent S(3)Tb5 square pyramids, corners with four equivalent S(2)Tb5 trigonal bipyramids,  an edgeedge with one S(1)Tb6 octahedra, edges with four equivalent S(2)Tb5 trigonal bipyramids, faces with two equivalent S(1)Tb6 octahedra, and  a faceface with one S(3)Tb5 square pyramid. The corner-sharing octahedral tilt angles range from 13-55°. is represented by the CIF file [CIF]
data_Tb2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   21.669
_cell_length_b   8.351
_cell_length_c   8.351
_cell_angle_alpha   89.999
_cell_angle_beta   54.686
_cell_angle_gamma   54.686
_symmetry_Int_Tables_number   1
_cell_volume   870.296
_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
  Tb  Tb0  1  0.993  0.401  0.249  1.0
  Tb  Tb1  1  0.993  0.119  0.771  1.0
  Tb  Tb2  1  0.088  0.618  0.368  1.0
  Tb  Tb3  1  0.167  0.250  0.632  1.0
  Tb  Tb4  1  0.340  0.381  0.251  1.0
  Tb  Tb5  1  0.246  0.882  0.132  1.0
  Tb  Tb6  1  0.340  0.099  0.729  1.0
  Tb  Tb7  1  0.167  0.750  0.868  1.0
  Tb  Tb8  1  0.493  0.271  0.619  1.0
  Tb  Tb9  1  0.667  0.368  0.250  1.0
  Tb  Tb10  1  0.588  0.868  0.118  1.0
  Tb  Tb11  1  0.667  0.132  0.750  1.0
  Tb  Tb12  1  0.493  0.749  0.901  1.0
  Tb  Tb13  1  0.746  0.632  0.382  1.0
  Tb  Tb14  1  0.840  0.229  0.599  1.0
  Tb  Tb15  1  0.840  0.751  0.881  1.0
  S  S16  1  0.048  0.997  0.364  1.0
  S  S17  1  0.130  0.485  0.989  1.0
  S  S18  1  0.048  0.360  0.493  1.0
  S  S19  1  0.286  0.140  0.136  1.0
  S  S20  1  0.286  0.503  0.007  1.0
  S  S21  1  0.203  0.015  0.879  1.0
  S  S22  1  0.130  0.625  0.621  1.0
  S  S23  1  0.382  0.002  0.349  1.0
  S  S24  1  0.203  0.875  0.510  1.0
  S  S25  1  0.451  0.495  0.998  1.0
  S  S26  1  0.382  0.352  0.505  1.0
  S  S27  1  0.630  0.121  0.125  1.0
  S  S28  1  0.630  0.490  0.985  1.0
  S  S29  1  0.548  0.993  0.860  1.0
  S  S30  1  0.451  0.651  0.648  1.0
  S  S31  1  0.703  0.010  0.375  1.0
  S  S32  1  0.548  0.864  0.497  1.0
  S  S33  1  0.786  0.507  0.003  1.0
  S  S34  1  0.703  0.379  0.515  1.0
  S  S35  1  0.951  0.148  0.151  1.0
  S  S36  1  0.951  0.498  0.995  1.0
  S  S37  1  0.786  0.636  0.640  1.0
  S  S38  1  0.882  0.005  0.852  1.0
  S  S39  1  0.882  0.849  0.502  1.0
[/CIF]
.