The compound described by Ge(SbTe)4 crystallizes in the trigonal P-3m1 space group. Ge(1) is bonded to six equivalent Te(1) atoms to form GeTe6 octahedra that share corners with six equivalent Sb(2)Te6 octahedra, edges with six equivalent Ge(1)Te6 octahedra, and edges with six equivalent Sb(2)Te6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to three equivalent Sb(1) and three equivalent Te(2) atoms to form distorted SbSb3Te3 octahedra that share corners with three equivalent Sb(2)Te6 octahedra, edges with three equivalent Sb(2)Te6 octahedra, and edges with six equivalent Sb(1)Sb3Te3 octahedra. The corner-sharing octahedral tilt angles are 10°. In the second Sb site, Sb(2) is bonded to three equivalent Te(1) and three equivalent Te(2) atoms to form SbTe6 octahedra that share corners with three equivalent Ge(1)Te6 octahedra, corners with three equivalent Sb(1)Sb3Te3 octahedra, edges with three equivalent Ge(1)Te6 octahedra, edges with three equivalent Sb(1)Sb3Te3 octahedra, and edges with six equivalent Sb(2)Te6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent Ge(1) and three equivalent Sb(2) atoms to form a mixture of edge and corner-sharing TeGe3Sb3 octahedra. The corner-sharing octahedra are not tilted. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to three equivalent Sb(1) and three equivalent Sb(2) atoms. is represented by the CIF file [CIF]
data_Ge(SbTe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.334
_cell_length_b   4.334
_cell_length_c   17.367
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   282.547
_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
  Ge  Ge0  1  0.000  0.000  0.000  1.0
  Sb  Sb1  1  0.333  0.667  0.545  1.0
  Sb  Sb2  1  0.667  0.333  0.455  1.0
  Sb  Sb3  1  0.667  0.333  0.786  1.0
  Sb  Sb4  1  0.333  0.667  0.214  1.0
  Te  Te5  1  0.333  0.667  0.902  1.0
  Te  Te6  1  0.667  0.333  0.098  1.0
  Te  Te7  1  0.000  0.000  0.687  1.0
  Te  Te8  1  0.000  0.000  0.313  1.0
[/CIF]
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The compound described by Ge(SbTe)4 crystallizes in the trigonal P-3m1 space group. Ge(1) is bonded to six equivalent Te(1) atoms to form GeTe6 octahedra that share corners with six equivalent Sb(2)Te6 octahedra, edges with six equivalent Ge(1)Te6 octahedra, and edges with six equivalent Sb(2)Te6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to three equivalent Sb(1) and three equivalent Te(2) atoms to form distorted SbSb3Te3 octahedra that share corners with three equivalent Sb(2)Te6 octahedra, edges with three equivalent Sb(2)Te6 octahedra, and edges with six equivalent Sb(1)Sb3Te3 octahedra. The corner-sharing octahedral tilt angles are 10°. In the second Sb site, Sb(2) is bonded to three equivalent Te(1) and three equivalent Te(2) atoms to form SbTe6 octahedra that share corners with three equivalent Ge(1)Te6 octahedra, corners with three equivalent Sb(1)Sb3Te3 octahedra, edges with three equivalent Ge(1)Te6 octahedra, edges with three equivalent Sb(1)Sb3Te3 octahedra, and edges with six equivalent Sb(2)Te6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent Ge(1) and three equivalent Sb(2) atoms to form a mixture of edge and corner-sharing TeGe3Sb3 octahedra. The corner-sharing octahedra are not tilted. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to three equivalent Sb(1) and three equivalent Sb(2) atoms. is represented by the CIF file [CIF]
data_Ge(SbTe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.334
_cell_length_b   4.334
_cell_length_c   17.367
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   282.547
_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
  Ge  Ge0  1  0.000  0.000  0.000  1.0
  Sb  Sb1  1  0.333  0.667  0.545  1.0
  Sb  Sb2  1  0.667  0.333  0.455  1.0
  Sb  Sb3  1  0.667  0.333  0.786  1.0
  Sb  Sb4  1  0.333  0.667  0.214  1.0
  Te  Te5  1  0.333  0.667  0.902  1.0
  Te  Te6  1  0.667  0.333  0.098  1.0
  Te  Te7  1  0.000  0.000  0.687  1.0
  Te  Te8  1  0.000  0.000  0.313  1.0
[/CIF]
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