The compound described by TlSb3S5 crystallizes in the monoclinic P2_1/c space group. Tl(1) is bonded in a 2-coordinate geometry to two equivalent S(1) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted rectangular see-saw-like geometry to one S(1), one S(3), one S(4), and one S(5) atom. In the second Sb site, Sb(2) is bonded in a distorted rectangular see-saw-like geometry to one S(2), one S(3), and two equivalent S(4) atoms. In the third Sb site, Sb(3) is bonded in a distorted see-saw-like geometry to one S(1), one S(2), one S(4), and one S(5) atom. There are five inequivalent S sites. In the first S site, S(5) is bonded in a distorted water-like geometry to one Sb(1) and one Sb(3) atom. In the second S site, S(1) is bonded to two equivalent Tl(1), one Sb(1), and one Sb(3) atom to form distorted corner-sharing STl2Sb2 tetrahedra. In the third S site, S(2) is bonded in a water-like geometry to one Sb(2) and one Sb(3) atom. In the fourth S site, S(3) is bonded in a water-like geometry to one Sb(1) and one Sb(2) atom. In the fifth S site, S(4) is bonded in a distorted see-saw-like geometry to one Sb(1), one Sb(3), and two equivalent Sb(2) atoms. is represented by the CIF card [CIF]
data_TlSb3S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.954
_cell_length_b   7.480
_cell_length_c   9.197
_cell_angle_alpha   65.639
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   999.767
_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
  Tl  Tl0  1  0.736  0.027  0.462  1.0
  Tl  Tl1  1  0.236  0.973  0.038  1.0
  Tl  Tl2  1  0.264  0.973  0.538  1.0
  Tl  Tl3  1  0.764  0.027  0.962  1.0
  Sb  Sb4  1  0.869  0.497  0.063  1.0
  Sb  Sb5  1  0.369  0.503  0.437  1.0
  Sb  Sb6  1  0.131  0.503  0.937  1.0
  Sb  Sb7  1  0.631  0.497  0.563  1.0
  Sb  Sb8  1  0.503  0.993  0.213  1.0
  Sb  Sb9  1  0.003  0.007  0.287  1.0
  Sb  Sb10  1  0.497  0.007  0.787  1.0
  Sb  Sb11  1  0.997  0.993  0.713  1.0
  Sb  Sb12  1  0.596  0.533  0.112  1.0
  Sb  Sb13  1  0.096  0.467  0.388  1.0
  Sb  Sb14  1  0.404  0.467  0.888  1.0
  Sb  Sb15  1  0.904  0.533  0.612  1.0
  S  S16  1  0.728  0.328  0.111  1.0
  S  S17  1  0.228  0.672  0.389  1.0
  S  S18  1  0.272  0.672  0.889  1.0
  S  S19  1  0.772  0.328  0.611  1.0
  S  S20  1  0.873  0.789  0.341  1.0
  S  S21  1  0.373  0.211  0.159  1.0
  S  S22  1  0.127  0.211  0.659  1.0
  S  S23  1  0.627  0.789  0.841  1.0
  S  S24  1  0.556  0.250  0.500  1.0
  S  S25  1  0.056  0.750  0.000  1.0
  S  S26  1  0.444  0.750  0.500  1.0
  S  S27  1  0.944  0.250  1.000  1.0
  S  S28  1  0.941  0.225  0.397  1.0
  S  S29  1  0.441  0.775  0.103  1.0
  S  S30  1  0.059  0.775  0.603  1.0
  S  S31  1  0.559  0.225  0.897  1.0
  S  S32  1  0.841  0.710  0.763  1.0
  S  S33  1  0.341  0.290  0.737  1.0
  S  S34  1  0.159  0.290  0.237  1.0
  S  S35  1  0.659  0.710  0.263  1.0
[/CIF]
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The compound described by TlSb3S5 crystallizes in the monoclinic P2_1/c space group. Tl(1) is bonded in a 2-coordinate geometry to two equivalent S(1) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted rectangular see-saw-like geometry to one S(1), one S(3), one S(4), and one S(5) atom. In the second Sb site, Sb(2) is bonded in a distorted rectangular see-saw-like geometry to one S(2), one S(3), and two equivalent S(4) atoms. In the third Sb site, Sb(3) is bonded in a distorted see-saw-like geometry to one S(1), one S(2), one S(4), and one S(5) atom. There are five inequivalent S sites. In the first S site, S(5) is bonded in a distorted water-like geometry to one Sb(1) and one Sb(3) atom. In the second S site, S(1) is bonded to two equivalent Tl(1), one Sb(1), and one Sb(3) atom to form distorted corner-sharing STl2Sb2 tetrahedra. In the third S site, S(2) is bonded in a water-like geometry to one Sb(2) and one Sb(3) atom. In the fourth S site, S(3) is bonded in a water-like geometry to one Sb(1) and one Sb(2) atom. In the fifth S site, S(4) is bonded in a distorted see-saw-like geometry to one Sb(1), one Sb(3), and two equivalent Sb(2) atoms. is represented by the CIF card [CIF]
data_TlSb3S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.954
_cell_length_b   7.480
_cell_length_c   9.197
_cell_angle_alpha   65.639
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   999.767
_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
  Tl  Tl0  1  0.736  0.027  0.462  1.0
  Tl  Tl1  1  0.236  0.973  0.038  1.0
  Tl  Tl2  1  0.264  0.973  0.538  1.0
  Tl  Tl3  1  0.764  0.027  0.962  1.0
  Sb  Sb4  1  0.869  0.497  0.063  1.0
  Sb  Sb5  1  0.369  0.503  0.437  1.0
  Sb  Sb6  1  0.131  0.503  0.937  1.0
  Sb  Sb7  1  0.631  0.497  0.563  1.0
  Sb  Sb8  1  0.503  0.993  0.213  1.0
  Sb  Sb9  1  0.003  0.007  0.287  1.0
  Sb  Sb10  1  0.497  0.007  0.787  1.0
  Sb  Sb11  1  0.997  0.993  0.713  1.0
  Sb  Sb12  1  0.596  0.533  0.112  1.0
  Sb  Sb13  1  0.096  0.467  0.388  1.0
  Sb  Sb14  1  0.404  0.467  0.888  1.0
  Sb  Sb15  1  0.904  0.533  0.612  1.0
  S  S16  1  0.728  0.328  0.111  1.0
  S  S17  1  0.228  0.672  0.389  1.0
  S  S18  1  0.272  0.672  0.889  1.0
  S  S19  1  0.772  0.328  0.611  1.0
  S  S20  1  0.873  0.789  0.341  1.0
  S  S21  1  0.373  0.211  0.159  1.0
  S  S22  1  0.127  0.211  0.659  1.0
  S  S23  1  0.627  0.789  0.841  1.0
  S  S24  1  0.556  0.250  0.500  1.0
  S  S25  1  0.056  0.750  0.000  1.0
  S  S26  1  0.444  0.750  0.500  1.0
  S  S27  1  0.944  0.250  1.000  1.0
  S  S28  1  0.941  0.225  0.397  1.0
  S  S29  1  0.441  0.775  0.103  1.0
  S  S30  1  0.059  0.775  0.603  1.0
  S  S31  1  0.559  0.225  0.897  1.0
  S  S32  1  0.841  0.710  0.763  1.0
  S  S33  1  0.341  0.290  0.737  1.0
  S  S34  1  0.159  0.290  0.237  1.0
  S  S35  1  0.659  0.710  0.263  1.0
[/CIF]
.