The structure described by Sb2Te3 is Molybdenum Carbide MAX Phase-like structured and crystallizes in the orthorhombic Immm space group. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent Te(1), two equivalent Te(2), and two equivalent Te(3) atoms to form SbTe6 octahedra that share corners with two equivalent Sb(2)Te6 octahedra, corners with four equivalent Sb(1)Te6 octahedra, edges with three equivalent Sb(1)Te6 octahedra, edges with four equivalent Te(4)Te6 octahedra, and edges with five equivalent Sb(2)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second Sb site, Sb(2) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form SbTe6 octahedra that share corners with two equivalent Sb(1)Te6 octahedra, corners with two equivalent Sb(2)Te6 octahedra, corners with two equivalent Te(4)Te6 octahedra,  an edgeedge with one Te(4)Te6 octahedra, edges with five equivalent Sb(1)Te6 octahedra, and edges with six equivalent Sb(2)Te6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Sb(1), two equivalent Sb(2), and two equivalent Te(4) atoms to form distorted TeSb4Te2 octahedra that share corners with two equivalent Te(2)Sb6 octahedra, corners with four equivalent Te(1)Sb4Te2 octahedra, edges with three equivalent Te(1)Sb4Te2 octahedra, edges with four equivalent Te(3)Sb4Te2 octahedra, and edges with five equivalent Te(2)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second Te site, Te(2) is bonded to two equivalent Sb(1) and four equivalent Sb(2) atoms to form TeSb6 octahedra that share corners with two equivalent Te(1)Sb4Te2 octahedra, corners with two equivalent Te(3)Sb4Te2 octahedra, corners with two equivalent Te(2)Sb6 octahedra,  an edgeedge with one Te(3)Sb4Te2 octahedra, edges with five equivalent Te(1)Sb4Te2 octahedra, and edges with six equivalent Te(2)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the third Te site, Te(3) is bonded to four equivalent Sb(1) and two equivalent Te(4) atoms to form TeSb4Te2 octahedra that share corners with two equivalent Te(3)Sb4Te2 octahedra, corners with four equivalent Te(2)Sb6 octahedra, edges with two equivalent Te(3)Sb4Te2 octahedra, edges with two equivalent Te(2)Sb6 octahedra, and edges with eight equivalent Te(1)Sb4Te2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth Te site, Te(4) is bonded to two equivalent Te(3) and four equivalent Te(1) atoms to form TeTe6 octahedra that share corners with two equivalent Te(4)Te6 octahedra, corners with four equivalent Sb(2)Te6 octahedra, edges with two equivalent Sb(2)Te6 octahedra, edges with two equivalent Te(4)Te6 octahedra, and edges with eight equivalent Sb(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the CIF card [CIF]
data_Sb2Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.980
_cell_length_b   11.980
_cell_length_c   11.980
_cell_angle_alpha   158.093
_cell_angle_beta   149.819
_cell_angle_gamma   37.606
_symmetry_Int_Tables_number   1
_cell_volume   322.086
_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
  Sb  Sb0  1  0.600  0.100  0.500  1.0
  Sb  Sb1  1  0.400  0.900  0.500  1.0
  Sb  Sb2  1  0.799  0.299  0.500  1.0
  Sb  Sb3  1  0.201  0.701  0.500  1.0
  Te  Te4  1  0.890  0.890  0.000  1.0
  Te  Te5  1  0.110  0.110  0.000  1.0
  Te  Te6  1  0.303  0.303  0.000  1.0
  Te  Te7  1  0.697  0.697  0.000  1.0
  Te  Te8  1  0.500  0.500  0.000  1.0
  Te  Te9  1  0.000  0.500  0.500  1.0
[/CIF]
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The structure described by Sb2Te3 is Molybdenum Carbide MAX Phase-like structured and crystallizes in the orthorhombic Immm space group. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent Te(1), two equivalent Te(2), and two equivalent Te(3) atoms to form SbTe6 octahedra that share corners with two equivalent Sb(2)Te6 octahedra, corners with four equivalent Sb(1)Te6 octahedra, edges with three equivalent Sb(1)Te6 octahedra, edges with four equivalent Te(4)Te6 octahedra, and edges with five equivalent Sb(2)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second Sb site, Sb(2) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form SbTe6 octahedra that share corners with two equivalent Sb(1)Te6 octahedra, corners with two equivalent Sb(2)Te6 octahedra, corners with two equivalent Te(4)Te6 octahedra,  an edgeedge with one Te(4)Te6 octahedra, edges with five equivalent Sb(1)Te6 octahedra, and edges with six equivalent Sb(2)Te6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Sb(1), two equivalent Sb(2), and two equivalent Te(4) atoms to form distorted TeSb4Te2 octahedra that share corners with two equivalent Te(2)Sb6 octahedra, corners with four equivalent Te(1)Sb4Te2 octahedra, edges with three equivalent Te(1)Sb4Te2 octahedra, edges with four equivalent Te(3)Sb4Te2 octahedra, and edges with five equivalent Te(2)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second Te site, Te(2) is bonded to two equivalent Sb(1) and four equivalent Sb(2) atoms to form TeSb6 octahedra that share corners with two equivalent Te(1)Sb4Te2 octahedra, corners with two equivalent Te(3)Sb4Te2 octahedra, corners with two equivalent Te(2)Sb6 octahedra,  an edgeedge with one Te(3)Sb4Te2 octahedra, edges with five equivalent Te(1)Sb4Te2 octahedra, and edges with six equivalent Te(2)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the third Te site, Te(3) is bonded to four equivalent Sb(1) and two equivalent Te(4) atoms to form TeSb4Te2 octahedra that share corners with two equivalent Te(3)Sb4Te2 octahedra, corners with four equivalent Te(2)Sb6 octahedra, edges with two equivalent Te(3)Sb4Te2 octahedra, edges with two equivalent Te(2)Sb6 octahedra, and edges with eight equivalent Te(1)Sb4Te2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth Te site, Te(4) is bonded to two equivalent Te(3) and four equivalent Te(1) atoms to form TeTe6 octahedra that share corners with two equivalent Te(4)Te6 octahedra, corners with four equivalent Sb(2)Te6 octahedra, edges with two equivalent Sb(2)Te6 octahedra, edges with two equivalent Te(4)Te6 octahedra, and edges with eight equivalent Sb(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the CIF card [CIF]
data_Sb2Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.980
_cell_length_b   11.980
_cell_length_c   11.980
_cell_angle_alpha   158.093
_cell_angle_beta   149.819
_cell_angle_gamma   37.606
_symmetry_Int_Tables_number   1
_cell_volume   322.086
_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
  Sb  Sb0  1  0.600  0.100  0.500  1.0
  Sb  Sb1  1  0.400  0.900  0.500  1.0
  Sb  Sb2  1  0.799  0.299  0.500  1.0
  Sb  Sb3  1  0.201  0.701  0.500  1.0
  Te  Te4  1  0.890  0.890  0.000  1.0
  Te  Te5  1  0.110  0.110  0.000  1.0
  Te  Te6  1  0.303  0.303  0.000  1.0
  Te  Te7  1  0.697  0.697  0.000  1.0
  Te  Te8  1  0.500  0.500  0.000  1.0
  Te  Te9  1  0.000  0.500  0.500  1.0
[/CIF]
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