The structure described by Tl4SbAs3Se8 crystallizes in the orthorhombic Pmmm space group. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted linear geometry to four equivalent Sb(1) and two equivalent Se(1) atoms. In the second Tl site, Tl(2) is bonded in a linear geometry to one Se(2) and one Se(4) atom. In the third Tl site, Tl(3) is bonded in a linear geometry to two equivalent Se(3) atoms. Sb(1) is bonded in a distorted body-centered cubic geometry to four equivalent Tl(1) and four equivalent Se(4) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a rectangular see-saw-like geometry to two equivalent Se(1) and two equivalent Se(3) atoms. In the second As site, As(2) is bonded in a square co-planar geometry to four equivalent Se(2) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to one Tl(1) and two equivalent As(1) atoms. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to one Tl(2) and two equivalent As(2) atoms. In the third Se site, Se(3) is bonded in a 3-coordinate geometry to one Tl(3) and two equivalent As(1) atoms. In the fourth Se site, Se(4) is bonded in a 3-coordinate geometry to one Tl(2) and two equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_Tl4SbAs3Se8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.762
_cell_length_b   3.815
_cell_length_c   20.302
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   446.242
_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
  Tl  Tl0  1  0.500  0.500  0.000  1.0
  Tl  Tl1  1  0.000  0.500  0.254  1.0
  Tl  Tl2  1  0.500  0.500  0.500  1.0
  Tl  Tl3  1  0.000  0.500  0.746  1.0
  Sb  Sb4  1  0.000  0.000  0.000  1.0
  As  As5  1  0.500  0.000  0.252  1.0
  As  As6  1  0.000  0.000  0.500  1.0
  As  As7  1  0.500  0.000  0.748  1.0
  Se  Se8  1  0.500  0.500  0.154  1.0
  Se  Se9  1  0.000  0.500  0.406  1.0
  Se  Se10  1  0.500  0.500  0.654  1.0
  Se  Se11  1  0.000  0.500  0.895  1.0
  Se  Se12  1  0.000  0.500  0.105  1.0
  Se  Se13  1  0.500  0.500  0.346  1.0
  Se  Se14  1  0.000  0.500  0.594  1.0
  Se  Se15  1  0.500  0.500  0.846  1.0
[/CIF]
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The structure described by Tl4SbAs3Se8 crystallizes in the orthorhombic Pmmm space group. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted linear geometry to four equivalent Sb(1) and two equivalent Se(1) atoms. In the second Tl site, Tl(2) is bonded in a linear geometry to one Se(2) and one Se(4) atom. In the third Tl site, Tl(3) is bonded in a linear geometry to two equivalent Se(3) atoms. Sb(1) is bonded in a distorted body-centered cubic geometry to four equivalent Tl(1) and four equivalent Se(4) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a rectangular see-saw-like geometry to two equivalent Se(1) and two equivalent Se(3) atoms. In the second As site, As(2) is bonded in a square co-planar geometry to four equivalent Se(2) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to one Tl(1) and two equivalent As(1) atoms. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to one Tl(2) and two equivalent As(2) atoms. In the third Se site, Se(3) is bonded in a 3-coordinate geometry to one Tl(3) and two equivalent As(1) atoms. In the fourth Se site, Se(4) is bonded in a 3-coordinate geometry to one Tl(2) and two equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_Tl4SbAs3Se8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.762
_cell_length_b   3.815
_cell_length_c   20.302
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   446.242
_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
  Tl  Tl0  1  0.500  0.500  0.000  1.0
  Tl  Tl1  1  0.000  0.500  0.254  1.0
  Tl  Tl2  1  0.500  0.500  0.500  1.0
  Tl  Tl3  1  0.000  0.500  0.746  1.0
  Sb  Sb4  1  0.000  0.000  0.000  1.0
  As  As5  1  0.500  0.000  0.252  1.0
  As  As6  1  0.000  0.000  0.500  1.0
  As  As7  1  0.500  0.000  0.748  1.0
  Se  Se8  1  0.500  0.500  0.154  1.0
  Se  Se9  1  0.000  0.500  0.406  1.0
  Se  Se10  1  0.500  0.500  0.654  1.0
  Se  Se11  1  0.000  0.500  0.895  1.0
  Se  Se12  1  0.000  0.500  0.105  1.0
  Se  Se13  1  0.500  0.500  0.346  1.0
  Se  Se14  1  0.000  0.500  0.594  1.0
  Se  Se15  1  0.500  0.500  0.846  1.0
[/CIF]
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