The compound described by Tl2SnTe5 crystallizes in the tetragonal I4/mcm space group. The structure consists of four 7440-28-0 atoms inside a TlSnTe5 framework. In the TlSnTe5 framework, Tl(2) is bonded in a 8-coordinate geometry to eight equivalent Te(2) atoms. Sn(1) is bonded in a tetrahedral geometry to four equivalent Te(2) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a square co-planar geometry to four equivalent Te(2) atoms. In the second Te site, Te(2) is bonded in a 1-coordinate geometry to two equivalent Tl(2), one Sn(1), and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl2SnTe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.751
_cell_length_b   9.751
_cell_length_c   9.751
_cell_angle_alpha   128.135
_cell_angle_beta   128.135
_cell_angle_gamma   76.407
_symmetry_Int_Tables_number   1
_cell_volume   557.297
_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  0.500  0.500  0.000  1.0
  Tl  Tl1  1  0.000  0.000  0.000  1.0
  Tl  Tl2  1  0.750  0.750  0.000  1.0
  Tl  Tl3  1  0.250  0.250  0.000  1.0
  Sn  Sn4  1  0.250  0.750  0.500  1.0
  Sn  Sn5  1  0.750  0.250  0.500  1.0
  Te  Te6  1  0.500  0.000  0.500  1.0
  Te  Te7  1  0.000  0.500  0.500  1.0
  Te  Te8  1  0.317  0.817  0.863  1.0
  Te  Te9  1  0.817  0.954  0.500  1.0
  Te  Te10  1  0.454  0.317  0.500  1.0
  Te  Te11  1  0.183  0.046  0.500  1.0
  Te  Te12  1  0.546  0.683  0.500  1.0
  Te  Te13  1  0.046  0.546  0.863  1.0
  Te  Te14  1  0.683  0.183  0.137  1.0
  Te  Te15  1  0.954  0.454  0.137  1.0
[/CIF]
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The compound described by Tl2SnTe5 crystallizes in the tetragonal I4/mcm space group. The structure consists of four 7440-28-0 atoms inside a TlSnTe5 framework. In the TlSnTe5 framework, Tl(2) is bonded in a 8-coordinate geometry to eight equivalent Te(2) atoms. Sn(1) is bonded in a tetrahedral geometry to four equivalent Te(2) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a square co-planar geometry to four equivalent Te(2) atoms. In the second Te site, Te(2) is bonded in a 1-coordinate geometry to two equivalent Tl(2), one Sn(1), and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl2SnTe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.751
_cell_length_b   9.751
_cell_length_c   9.751
_cell_angle_alpha   128.135
_cell_angle_beta   128.135
_cell_angle_gamma   76.407
_symmetry_Int_Tables_number   1
_cell_volume   557.297
_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  0.500  0.500  0.000  1.0
  Tl  Tl1  1  0.000  0.000  0.000  1.0
  Tl  Tl2  1  0.750  0.750  0.000  1.0
  Tl  Tl3  1  0.250  0.250  0.000  1.0
  Sn  Sn4  1  0.250  0.750  0.500  1.0
  Sn  Sn5  1  0.750  0.250  0.500  1.0
  Te  Te6  1  0.500  0.000  0.500  1.0
  Te  Te7  1  0.000  0.500  0.500  1.0
  Te  Te8  1  0.317  0.817  0.863  1.0
  Te  Te9  1  0.817  0.954  0.500  1.0
  Te  Te10  1  0.454  0.317  0.500  1.0
  Te  Te11  1  0.183  0.046  0.500  1.0
  Te  Te12  1  0.546  0.683  0.500  1.0
  Te  Te13  1  0.046  0.546  0.863  1.0
  Te  Te14  1  0.683  0.183  0.137  1.0
  Te  Te15  1  0.954  0.454  0.137  1.0
[/CIF]
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