The material structure described by In3BiTe4 crystallizes in the tetragonal I422 space group. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Te(1) atoms to form edge-sharing InTe4 tetrahedra. In the second In site, In(2) is bonded in a 10-coordinate geometry to two equivalent Bi(1) and eight equivalent Te(1) atoms. Bi(1) is bonded in a 10-coordinate geometry to two equivalent In(2) and eight equivalent Te(1) atoms. Te(1) is bonded in a 2-coordinate geometry to two equivalent In(1), two equivalent In(2), and two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_In3BiTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.981
_cell_length_b   6.981
_cell_length_c   6.981
_cell_angle_alpha   105.857
_cell_angle_beta   105.857
_cell_angle_gamma   116.970
_symmetry_Int_Tables_number   1
_cell_volume   258.514
_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
  In  In0  1  0.500  0.000  0.500  1.0
  In  In1  1  0.000  0.500  0.500  1.0
  In  In2  1  0.500  0.500  0.000  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  Te  Te4  1  0.940  0.440  0.880  1.0
  Te  Te5  1  0.560  0.060  0.120  1.0
  Te  Te6  1  0.060  0.940  0.500  1.0
  Te  Te7  1  0.440  0.560  0.500  1.0
[/CIF]
.
The material structure described by In3BiTe4 crystallizes in the tetragonal I422 space group. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Te(1) atoms to form edge-sharing InTe4 tetrahedra. In the second In site, In(2) is bonded in a 10-coordinate geometry to two equivalent Bi(1) and eight equivalent Te(1) atoms. Bi(1) is bonded in a 10-coordinate geometry to two equivalent In(2) and eight equivalent Te(1) atoms. Te(1) is bonded in a 2-coordinate geometry to two equivalent In(1), two equivalent In(2), and two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_In3BiTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.981
_cell_length_b   6.981
_cell_length_c   6.981
_cell_angle_alpha   105.857
_cell_angle_beta   105.857
_cell_angle_gamma   116.970
_symmetry_Int_Tables_number   1
_cell_volume   258.514
_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
  In  In0  1  0.500  0.000  0.500  1.0
  In  In1  1  0.000  0.500  0.500  1.0
  In  In2  1  0.500  0.500  0.000  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  Te  Te4  1  0.940  0.440  0.880  1.0
  Te  Te5  1  0.560  0.060  0.120  1.0
  Te  Te6  1  0.060  0.940  0.500  1.0
  Te  Te7  1  0.440  0.560  0.500  1.0
[/CIF]
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