The structure described by Ge(SbTe2)2 crystallizes in the tetragonal I-4m2 space group. Ge(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form GeTe6 octahedra that share corners with two equivalent Sb(1)Te6 octahedra, corners with four equivalent Ge(1)Te6 octahedra, edges with four equivalent Sb(1)Te6 octahedra, and edges with four equivalent Sb(2)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form SbTe6 octahedra that share corners with two equivalent Ge(1)Te6 octahedra, corners with four equivalent Sb(1)Te6 octahedra, edges with four equivalent Ge(1)Te6 octahedra, and edges with four equivalent Sb(2)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. 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 four equivalent Sb(2)Te6 octahedra, edges with four equivalent Ge(1)Te6 octahedra, and edges with four equivalent Sb(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Ge(1), one Sb(2), and two equivalent Sb(1) atoms to form a mixture of corner and edge-sharing TeGe2Sb3 square pyramids. In the second Te site, Te(2) is bonded in a square co-planar geometry to one Ge(1), one Sb(1), and two equivalent Sb(2) atoms. is represented by the CIF card [CIF]
data_Ge(SbTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.439
_cell_length_b   7.439
_cell_length_c   7.439
_cell_angle_alpha   131.430
_cell_angle_beta   131.430
_cell_angle_gamma   71.131
_symmetry_Int_Tables_number   1
_cell_volume   226.589
_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  0.500  0.500  0.000  1.0
  Sb  Sb2  1  0.250  0.750  0.500  1.0
  Te  Te3  1  0.502  0.002  0.500  1.0
  Te  Te4  1  0.248  0.248  0.000  1.0
  Te  Te5  1  0.998  0.498  0.500  1.0
  Te  Te6  1  0.752  0.752  0.000  1.0
[/CIF]
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The structure described by Ge(SbTe2)2 crystallizes in the tetragonal I-4m2 space group. Ge(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form GeTe6 octahedra that share corners with two equivalent Sb(1)Te6 octahedra, corners with four equivalent Ge(1)Te6 octahedra, edges with four equivalent Sb(1)Te6 octahedra, and edges with four equivalent Sb(2)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form SbTe6 octahedra that share corners with two equivalent Ge(1)Te6 octahedra, corners with four equivalent Sb(1)Te6 octahedra, edges with four equivalent Ge(1)Te6 octahedra, and edges with four equivalent Sb(2)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. 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 four equivalent Sb(2)Te6 octahedra, edges with four equivalent Ge(1)Te6 octahedra, and edges with four equivalent Sb(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Ge(1), one Sb(2), and two equivalent Sb(1) atoms to form a mixture of corner and edge-sharing TeGe2Sb3 square pyramids. In the second Te site, Te(2) is bonded in a square co-planar geometry to one Ge(1), one Sb(1), and two equivalent Sb(2) atoms. is represented by the CIF card [CIF]
data_Ge(SbTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.439
_cell_length_b   7.439
_cell_length_c   7.439
_cell_angle_alpha   131.430
_cell_angle_beta   131.430
_cell_angle_gamma   71.131
_symmetry_Int_Tables_number   1
_cell_volume   226.589
_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  0.500  0.500  0.000  1.0
  Sb  Sb2  1  0.250  0.750  0.500  1.0
  Te  Te3  1  0.502  0.002  0.500  1.0
  Te  Te4  1  0.248  0.248  0.000  1.0
  Te  Te5  1  0.998  0.498  0.500  1.0
  Te  Te6  1  0.752  0.752  0.000  1.0
[/CIF]
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