The structure described by Tl4SnTe3 crystallizes in the tetragonal I4/mcm space group. Tl(1) is bonded in a 1-coordinate geometry to three equivalent Te(1) atoms. Sn(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form corner-sharing SnTe6 octahedra. The corner-sharing octahedral tilt angles range from 0-37°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 8-coordinate geometry to six equivalent Tl(1) and two equivalent Sn(1) atoms. In the second Te site, Te(2) is bonded in a linear geometry to two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl4SnTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.199
_cell_length_b   9.199
_cell_length_c   9.199
_cell_angle_alpha   121.847
_cell_angle_beta   121.847
_cell_angle_gamma   86.830
_symmetry_Int_Tables_number   1
_cell_volume   534.142
_cell_formula_units_Z   2
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  0.487  0.987  0.791  1.0
  Tl  Tl1  1  0.513  0.013  0.209  1.0
  Tl  Tl2  1  0.987  0.196  0.500  1.0
  Tl  Tl3  1  0.696  0.487  0.500  1.0
  Tl  Tl4  1  0.013  0.804  0.500  1.0
  Tl  Tl5  1  0.304  0.513  0.500  1.0
  Tl  Tl6  1  0.804  0.304  0.791  1.0
  Tl  Tl7  1  0.196  0.696  0.209  1.0
  Sn  Sn8  1  0.000  0.000  0.000  1.0
  Sn  Sn9  1  0.500  0.500  0.000  1.0
  Te  Te10  1  0.834  0.334  0.168  1.0
  Te  Te11  1  0.666  0.834  0.500  1.0
  Te  Te12  1  0.334  0.166  0.500  1.0
  Te  Te13  1  0.750  0.750  0.000  1.0
  Te  Te14  1  0.250  0.250  0.000  1.0
  Te  Te15  1  0.166  0.666  0.832  1.0
[/CIF]
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The structure described by Tl4SnTe3 crystallizes in the tetragonal I4/mcm space group. Tl(1) is bonded in a 1-coordinate geometry to three equivalent Te(1) atoms. Sn(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form corner-sharing SnTe6 octahedra. The corner-sharing octahedral tilt angles range from 0-37°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 8-coordinate geometry to six equivalent Tl(1) and two equivalent Sn(1) atoms. In the second Te site, Te(2) is bonded in a linear geometry to two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl4SnTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.199
_cell_length_b   9.199
_cell_length_c   9.199
_cell_angle_alpha   121.847
_cell_angle_beta   121.847
_cell_angle_gamma   86.830
_symmetry_Int_Tables_number   1
_cell_volume   534.142
_cell_formula_units_Z   2
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  0.487  0.987  0.791  1.0
  Tl  Tl1  1  0.513  0.013  0.209  1.0
  Tl  Tl2  1  0.987  0.196  0.500  1.0
  Tl  Tl3  1  0.696  0.487  0.500  1.0
  Tl  Tl4  1  0.013  0.804  0.500  1.0
  Tl  Tl5  1  0.304  0.513  0.500  1.0
  Tl  Tl6  1  0.804  0.304  0.791  1.0
  Tl  Tl7  1  0.196  0.696  0.209  1.0
  Sn  Sn8  1  0.000  0.000  0.000  1.0
  Sn  Sn9  1  0.500  0.500  0.000  1.0
  Te  Te10  1  0.834  0.334  0.168  1.0
  Te  Te11  1  0.666  0.834  0.500  1.0
  Te  Te12  1  0.334  0.166  0.500  1.0
  Te  Te13  1  0.750  0.750  0.000  1.0
  Te  Te14  1  0.250  0.250  0.000  1.0
  Te  Te15  1  0.166  0.666  0.832  1.0
[/CIF]
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