The material described by In3Sb1Te2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent Sb(1) and four equivalent Te(1) atoms to form a mixture of edge and corner-sharing InSb2Te4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second In site, In(2) is bonded to two equivalent Sb(1) and four equivalent Te(1) atoms to form a mixture of edge and corner-sharing InSb2Te4 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. Sb(1) is bonded to two equivalent In(1) and four equivalent In(2) atoms to form SbIn6 octahedra that share corners with two equivalent Sb(1)In6 octahedra, corners with four equivalent Te(1)In6 octahedra, edges with two equivalent Sb(1)In6 octahedra, and edges with ten equivalent Te(1)In6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Te(1) is bonded to two equivalent In(1) and four equivalent In(2) atoms to form TeIn6 octahedra that share corners with two equivalent Sb(1)In6 octahedra, corners with four equivalent Te(1)In6 octahedra, edges with five equivalent Sb(1)In6 octahedra, and edges with seven equivalent Te(1)In6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the Crystallographic Information File (CIF) [CIF]
data_In3SbTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.563
_cell_length_b   7.563
_cell_length_c   7.563
_cell_angle_alpha   145.591
_cell_angle_beta   131.168
_cell_angle_gamma   61.099
_symmetry_Int_Tables_number   1
_cell_volume   182.163
_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  0.000  0.000  0.000  1.0
  In  In1  1  0.661  0.661  0.000  1.0
  In  In2  1  0.339  0.339  0.000  1.0
  Sb  Sb3  1  0.500  0.000  0.500  1.0
  Te  Te4  1  0.171  0.671  0.500  1.0
  Te  Te5  1  0.829  0.329  0.500  1.0
[/CIF]
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The material described by In3Sb1Te2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent Sb(1) and four equivalent Te(1) atoms to form a mixture of edge and corner-sharing InSb2Te4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second In site, In(2) is bonded to two equivalent Sb(1) and four equivalent Te(1) atoms to form a mixture of edge and corner-sharing InSb2Te4 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. Sb(1) is bonded to two equivalent In(1) and four equivalent In(2) atoms to form SbIn6 octahedra that share corners with two equivalent Sb(1)In6 octahedra, corners with four equivalent Te(1)In6 octahedra, edges with two equivalent Sb(1)In6 octahedra, and edges with ten equivalent Te(1)In6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Te(1) is bonded to two equivalent In(1) and four equivalent In(2) atoms to form TeIn6 octahedra that share corners with two equivalent Sb(1)In6 octahedra, corners with four equivalent Te(1)In6 octahedra, edges with five equivalent Sb(1)In6 octahedra, and edges with seven equivalent Te(1)In6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the Crystallographic Information File (CIF) [CIF]
data_In3SbTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.563
_cell_length_b   7.563
_cell_length_c   7.563
_cell_angle_alpha   145.591
_cell_angle_beta   131.168
_cell_angle_gamma   61.099
_symmetry_Int_Tables_number   1
_cell_volume   182.163
_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  0.000  0.000  0.000  1.0
  In  In1  1  0.661  0.661  0.000  1.0
  In  In2  1  0.339  0.339  0.000  1.0
  Sb  Sb3  1  0.500  0.000  0.500  1.0
  Te  Te4  1  0.171  0.671  0.500  1.0
  Te  Te5  1  0.829  0.329  0.500  1.0
[/CIF]
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