The compound described by Tb2S3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to one S(2), three equivalent S(1), and three equivalent S(3) atoms to form distorted edge-sharing TbS7 pentagonal bipyramids. In the second Tb site, Tb(2) 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 two equivalent Tb(2) and three equivalent Tb(1) atoms to form a mixture of distorted edge and corner-sharing STb5 trigonal bipyramids. In the second S site, S(2) is bonded to one Tb(1) and four equivalent Tb(2) atoms to form a mixture of distorted edge, corner, and face-sharing STb5 square pyramids. In the third S site, S(3) is bonded to two equivalent Tb(2) and three equivalent Tb(1) atoms to form a mixture of distorted edge, corner, and face-sharing STb5 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.900
_cell_length_b   7.328
_cell_length_c   15.221
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   434.980
_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
  Tb  Tb0  1  0.750  0.734  0.043  1.0
  Tb  Tb1  1  0.750  0.234  0.457  1.0
  Tb  Tb2  1  0.250  0.266  0.957  1.0
  Tb  Tb3  1  0.250  0.766  0.543  1.0
  Tb  Tb4  1  0.750  0.358  0.704  1.0
  Tb  Tb5  1  0.750  0.858  0.796  1.0
  Tb  Tb6  1  0.250  0.642  0.296  1.0
  Tb  Tb7  1  0.250  0.142  0.204  1.0
  S  S8  1  0.750  0.490  0.892  1.0
  S  S9  1  0.750  0.990  0.608  1.0
  S  S10  1  0.250  0.510  0.108  1.0
  S  S11  1  0.250  0.010  0.392  1.0
  S  S12  1  0.750  0.350  0.282  1.0
  S  S13  1  0.750  0.850  0.218  1.0
  S  S14  1  0.250  0.650  0.718  1.0
  S  S15  1  0.250  0.150  0.782  1.0
  S  S16  1  0.750  0.124  0.067  1.0
  S  S17  1  0.750  0.624  0.433  1.0
  S  S18  1  0.250  0.876  0.933  1.0
  S  S19  1  0.250  0.376  0.567  1.0
[/CIF]
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The compound described by Tb2S3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to one S(2), three equivalent S(1), and three equivalent S(3) atoms to form distorted edge-sharing TbS7 pentagonal bipyramids. In the second Tb site, Tb(2) 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 two equivalent Tb(2) and three equivalent Tb(1) atoms to form a mixture of distorted edge and corner-sharing STb5 trigonal bipyramids. In the second S site, S(2) is bonded to one Tb(1) and four equivalent Tb(2) atoms to form a mixture of distorted edge, corner, and face-sharing STb5 square pyramids. In the third S site, S(3) is bonded to two equivalent Tb(2) and three equivalent Tb(1) atoms to form a mixture of distorted edge, corner, and face-sharing STb5 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.900
_cell_length_b   7.328
_cell_length_c   15.221
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   434.980
_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
  Tb  Tb0  1  0.750  0.734  0.043  1.0
  Tb  Tb1  1  0.750  0.234  0.457  1.0
  Tb  Tb2  1  0.250  0.266  0.957  1.0
  Tb  Tb3  1  0.250  0.766  0.543  1.0
  Tb  Tb4  1  0.750  0.358  0.704  1.0
  Tb  Tb5  1  0.750  0.858  0.796  1.0
  Tb  Tb6  1  0.250  0.642  0.296  1.0
  Tb  Tb7  1  0.250  0.142  0.204  1.0
  S  S8  1  0.750  0.490  0.892  1.0
  S  S9  1  0.750  0.990  0.608  1.0
  S  S10  1  0.250  0.510  0.108  1.0
  S  S11  1  0.250  0.010  0.392  1.0
  S  S12  1  0.750  0.350  0.282  1.0
  S  S13  1  0.750  0.850  0.218  1.0
  S  S14  1  0.250  0.650  0.718  1.0
  S  S15  1  0.250  0.150  0.782  1.0
  S  S16  1  0.750  0.124  0.067  1.0
  S  S17  1  0.750  0.624  0.433  1.0
  S  S18  1  0.250  0.876  0.933  1.0
  S  S19  1  0.250  0.376  0.567  1.0
[/CIF]
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