The compound described by TaTl3(SeS)2 crystallizes in the orthorhombic Fmm2 space group. The structure consists of a TaTl3(SeS)2 framework. Ta(1) is bonded in a tetrahedral geometry to two equivalent Se(1) and two equivalent S(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 4-coordinate geometry to two equivalent Se(1) and two equivalent S(1) atoms. In the second Tl site, Tl(2) is bonded in a 4-coordinate geometry to two equivalent Se(1) and two equivalent S(1) atoms. Se(1) is bonded to one Ta(1), one Tl(2), and two equivalent Tl(1) atoms to form a mixture of distorted corner and edge-sharing SeTaTl3 trigonal pyramids. S(1) is bonded in a single-bond geometry to one Ta(1), one Tl(2), and two equivalent Tl(1) atoms. is represented by the CIF file [CIF]
data_TaTl3(SeS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.969
_cell_length_b   6.923
_cell_length_c   6.880
_cell_angle_alpha   70.528
_cell_angle_beta   54.990
_cell_angle_gamma   54.482
_symmetry_Int_Tables_number   1
_cell_volume   253.044
_cell_formula_units_Z   1
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
  Ta  Ta0  1  0.996  0.004  0.004  1.0
  Tl  Tl1  1  0.494  0.006  0.006  1.0
  Tl  Tl2  1  0.994  0.506  0.506  1.0
  Tl  Tl3  1  0.502  0.498  0.498  1.0
  Se  Se4  1  0.999  0.650  0.001  1.0
  Se  Se5  1  0.350  0.001  0.650  1.0
  S  S6  1  0.999  0.001  0.335  1.0
  S  S7  1  0.665  0.335  0.001  1.0
[/CIF]
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The compound described by TaTl3(SeS)2 crystallizes in the orthorhombic Fmm2 space group. The structure consists of a TaTl3(SeS)2 framework. Ta(1) is bonded in a tetrahedral geometry to two equivalent Se(1) and two equivalent S(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 4-coordinate geometry to two equivalent Se(1) and two equivalent S(1) atoms. In the second Tl site, Tl(2) is bonded in a 4-coordinate geometry to two equivalent Se(1) and two equivalent S(1) atoms. Se(1) is bonded to one Ta(1), one Tl(2), and two equivalent Tl(1) atoms to form a mixture of distorted corner and edge-sharing SeTaTl3 trigonal pyramids. S(1) is bonded in a single-bond geometry to one Ta(1), one Tl(2), and two equivalent Tl(1) atoms. is represented by the CIF file [CIF]
data_TaTl3(SeS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.969
_cell_length_b   6.923
_cell_length_c   6.880
_cell_angle_alpha   70.528
_cell_angle_beta   54.990
_cell_angle_gamma   54.482
_symmetry_Int_Tables_number   1
_cell_volume   253.044
_cell_formula_units_Z   1
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
  Ta  Ta0  1  0.996  0.004  0.004  1.0
  Tl  Tl1  1  0.494  0.006  0.006  1.0
  Tl  Tl2  1  0.994  0.506  0.506  1.0
  Tl  Tl3  1  0.502  0.498  0.498  1.0
  Se  Se4  1  0.999  0.650  0.001  1.0
  Se  Se5  1  0.350  0.001  0.650  1.0
  S  S6  1  0.999  0.001  0.335  1.0
  S  S7  1  0.665  0.335  0.001  1.0
[/CIF]
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