The structure described by InGeTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. In(1) is bonded to six equivalent Te(1) atoms to form InTe6 octahedra that share corners with six equivalent Ge(1)Te6 octahedra, edges with six equivalent In(1)Te6 octahedra, and edges with six equivalent Ge(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 3°. Ge(1) is bonded to six equivalent Te(1) atoms to form GeTe6 octahedra that share corners with six equivalent In(1)Te6 octahedra, edges with six equivalent In(1)Te6 octahedra, and edges with six equivalent Ge(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 3°. Te(1) is bonded to three equivalent In(1) and three equivalent Ge(1) atoms to form a mixture of edge and corner-sharing TeIn3Ge3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_InGeTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.531
_cell_length_b   7.531
_cell_length_c   7.531
_cell_angle_alpha   33.511
_cell_angle_beta   33.511
_cell_angle_gamma   33.511
_symmetry_Int_Tables_number   1
_cell_volume   115.978
_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  0.500  0.500  1.0
  Ge  Ge1  1  0.000  0.000  0.000  1.0
  Te  Te2  1  0.255  0.255  0.255  1.0
  Te  Te3  1  0.745  0.745  0.745  1.0
[/CIF]
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The structure described by InGeTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. In(1) is bonded to six equivalent Te(1) atoms to form InTe6 octahedra that share corners with six equivalent Ge(1)Te6 octahedra, edges with six equivalent In(1)Te6 octahedra, and edges with six equivalent Ge(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 3°. Ge(1) is bonded to six equivalent Te(1) atoms to form GeTe6 octahedra that share corners with six equivalent In(1)Te6 octahedra, edges with six equivalent In(1)Te6 octahedra, and edges with six equivalent Ge(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 3°. Te(1) is bonded to three equivalent In(1) and three equivalent Ge(1) atoms to form a mixture of edge and corner-sharing TeIn3Ge3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_InGeTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.531
_cell_length_b   7.531
_cell_length_c   7.531
_cell_angle_alpha   33.511
_cell_angle_beta   33.511
_cell_angle_gamma   33.511
_symmetry_Int_Tables_number   1
_cell_volume   115.978
_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  0.500  0.500  1.0
  Ge  Ge1  1  0.000  0.000  0.000  1.0
  Te  Te2  1  0.255  0.255  0.255  1.0
  Te  Te3  1  0.745  0.745  0.745  1.0
[/CIF]
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