The material structure described by In4Sb1Te3 is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent In sites. In the first In site, In(1) is bonded to two equivalent Sb(1), one Te(1), one Te(2), and two equivalent Te(3) atoms to form InSb2Te4 octahedra that share corners with two equivalent In(2)Sb2Te4 octahedra, corners with four equivalent In(1)Sb2Te4 octahedra, edges with four equivalent In(2)Sb2Te4 octahedra, edges with four equivalent In(3)SbTe5 octahedra, and edges with four equivalent In(4)SbTe5 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the second In site, In(2) is bonded to two equivalent Sb(1), one Te(1), one Te(2), and two equivalent Te(3) atoms to form InSb2Te4 octahedra that share corners with two equivalent In(1)Sb2Te4 octahedra, corners with four equivalent In(2)Sb2Te4 octahedra, edges with four equivalent In(1)Sb2Te4 octahedra, edges with four equivalent In(3)SbTe5 octahedra, and edges with four equivalent In(4)SbTe5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third In site, In(3) is bonded to one Sb(1), one Te(3), two equivalent Te(1), and two equivalent Te(2) atoms to form InSbTe5 octahedra that share corners with two equivalent In(4)SbTe5 octahedra, corners with four equivalent In(3)SbTe5 octahedra, edges with four equivalent In(1)Sb2Te4 octahedra, edges with four equivalent In(2)Sb2Te4 octahedra, and edges with four equivalent In(4)SbTe5 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the fourth In site, In(4) is bonded to one Sb(1), one Te(3), two equivalent Te(1), and two equivalent Te(2) atoms to form InSbTe5 octahedra that share corners with two equivalent In(3)SbTe5 octahedra, corners with four equivalent In(4)SbTe5 octahedra, edges with four equivalent In(1)Sb2Te4 octahedra, edges with four equivalent In(2)Sb2Te4 octahedra, and edges with four equivalent In(3)SbTe5 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. Sb(1) is bonded to one In(3), one In(4), two equivalent In(1), and two equivalent In(2) atoms to form SbIn6 octahedra that share corners with two equivalent Te(3)In6 octahedra, corners with four equivalent Sb(1)In6 octahedra, edges with four equivalent Te(1)In6 octahedra, edges with four equivalent Te(2)In6 octahedra, and edges with four equivalent Te(3)In6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one In(1), one In(2), two equivalent In(3), and two equivalent In(4) atoms to form TeIn6 octahedra that share corners with two equivalent Te(2)In6 octahedra, corners with four equivalent Te(1)In6 octahedra, edges with four equivalent Sb(1)In6 octahedra, edges with four equivalent Te(2)In6 octahedra, and edges with four equivalent Te(3)In6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the second Te site, Te(2) is bonded to one In(1), one In(2), two equivalent In(3), and two equivalent In(4) atoms to form TeIn6 octahedra that share corners with two equivalent Te(1)In6 octahedra, corners with four equivalent Te(2)In6 octahedra, edges with four equivalent Sb(1)In6 octahedra, edges with four equivalent Te(1)In6 octahedra, and edges with four equivalent Te(3)In6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the third Te site, Te(3) is bonded to one In(3), one In(4), two equivalent In(1), and two equivalent In(2) atoms to form TeIn6 octahedra that share corners with two equivalent Sb(1)In6 octahedra, corners with four equivalent Te(3)In6 octahedra, edges with four equivalent Sb(1)In6 octahedra, edges with four equivalent Te(1)In6 octahedra, and edges with four equivalent Te(2)In6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the Crystallographic Information File (CIF) [CIF]
data_In4SbTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.838
_cell_length_b   11.713
_cell_length_c   7.638
_cell_angle_alpha   29.264
_cell_angle_beta   54.693
_cell_angle_gamma   40.723
_symmetry_Int_Tables_number   1
_cell_volume   243.436
_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  0.999  0.001  0.003  1.0
  In  In1  1  0.502  0.992  0.011  1.0
  In  In2  1  0.254  0.497  0.000  1.0
  In  In3  1  0.742  0.509  0.997  1.0
  Sb  Sb4  1  0.501  0.496  0.506  1.0
  Te  Te5  1  0.247  0.006  0.493  1.0
  Te  Te6  1  0.747  0.005  0.499  1.0
  Te  Te7  1  0.002  0.501  0.500  1.0
[/CIF]
.
The material structure described by In4Sb1Te3 is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent In sites. In the first In site, In(1) is bonded to two equivalent Sb(1), one Te(1), one Te(2), and two equivalent Te(3) atoms to form InSb2Te4 octahedra that share corners with two equivalent In(2)Sb2Te4 octahedra, corners with four equivalent In(1)Sb2Te4 octahedra, edges with four equivalent In(2)Sb2Te4 octahedra, edges with four equivalent In(3)SbTe5 octahedra, and edges with four equivalent In(4)SbTe5 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the second In site, In(2) is bonded to two equivalent Sb(1), one Te(1), one Te(2), and two equivalent Te(3) atoms to form InSb2Te4 octahedra that share corners with two equivalent In(1)Sb2Te4 octahedra, corners with four equivalent In(2)Sb2Te4 octahedra, edges with four equivalent In(1)Sb2Te4 octahedra, edges with four equivalent In(3)SbTe5 octahedra, and edges with four equivalent In(4)SbTe5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third In site, In(3) is bonded to one Sb(1), one Te(3), two equivalent Te(1), and two equivalent Te(2) atoms to form InSbTe5 octahedra that share corners with two equivalent In(4)SbTe5 octahedra, corners with four equivalent In(3)SbTe5 octahedra, edges with four equivalent In(1)Sb2Te4 octahedra, edges with four equivalent In(2)Sb2Te4 octahedra, and edges with four equivalent In(4)SbTe5 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the fourth In site, In(4) is bonded to one Sb(1), one Te(3), two equivalent Te(1), and two equivalent Te(2) atoms to form InSbTe5 octahedra that share corners with two equivalent In(3)SbTe5 octahedra, corners with four equivalent In(4)SbTe5 octahedra, edges with four equivalent In(1)Sb2Te4 octahedra, edges with four equivalent In(2)Sb2Te4 octahedra, and edges with four equivalent In(3)SbTe5 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. Sb(1) is bonded to one In(3), one In(4), two equivalent In(1), and two equivalent In(2) atoms to form SbIn6 octahedra that share corners with two equivalent Te(3)In6 octahedra, corners with four equivalent Sb(1)In6 octahedra, edges with four equivalent Te(1)In6 octahedra, edges with four equivalent Te(2)In6 octahedra, and edges with four equivalent Te(3)In6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one In(1), one In(2), two equivalent In(3), and two equivalent In(4) atoms to form TeIn6 octahedra that share corners with two equivalent Te(2)In6 octahedra, corners with four equivalent Te(1)In6 octahedra, edges with four equivalent Sb(1)In6 octahedra, edges with four equivalent Te(2)In6 octahedra, and edges with four equivalent Te(3)In6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the second Te site, Te(2) is bonded to one In(1), one In(2), two equivalent In(3), and two equivalent In(4) atoms to form TeIn6 octahedra that share corners with two equivalent Te(1)In6 octahedra, corners with four equivalent Te(2)In6 octahedra, edges with four equivalent Sb(1)In6 octahedra, edges with four equivalent Te(1)In6 octahedra, and edges with four equivalent Te(3)In6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the third Te site, Te(3) is bonded to one In(3), one In(4), two equivalent In(1), and two equivalent In(2) atoms to form TeIn6 octahedra that share corners with two equivalent Sb(1)In6 octahedra, corners with four equivalent Te(3)In6 octahedra, edges with four equivalent Sb(1)In6 octahedra, edges with four equivalent Te(1)In6 octahedra, and edges with four equivalent Te(2)In6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the Crystallographic Information File (CIF) [CIF]
data_In4SbTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.838
_cell_length_b   11.713
_cell_length_c   7.638
_cell_angle_alpha   29.264
_cell_angle_beta   54.693
_cell_angle_gamma   40.723
_symmetry_Int_Tables_number   1
_cell_volume   243.436
_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  0.999  0.001  0.003  1.0
  In  In1  1  0.502  0.992  0.011  1.0
  In  In2  1  0.254  0.497  0.000  1.0
  In  In3  1  0.742  0.509  0.997  1.0
  Sb  Sb4  1  0.501  0.496  0.506  1.0
  Te  Te5  1  0.247  0.006  0.493  1.0
  Te  Te6  1  0.747  0.005  0.499  1.0
  Te  Te7  1  0.002  0.501  0.500  1.0
[/CIF]
.