The crystal structure described by Ge2TeSe is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ge(1) is bonded to three equivalent Te(1) and three equivalent Se(1) atoms to form a mixture of edge and corner-sharing GeTe3Se3 octahedra. The corner-sharing octahedra are not tilted. Te(1) is bonded to six equivalent Ge(1) atoms to form TeGe6 octahedra that share corners with six equivalent Se(1)Ge6 octahedra, edges with six equivalent Te(1)Ge6 octahedra, and edges with six equivalent Se(1)Ge6 octahedra. The corner-sharing octahedral tilt angles are 3°. Se(1) is bonded to six equivalent Ge(1) atoms to form SeGe6 octahedra that share corners with six equivalent Te(1)Ge6 octahedra, edges with six equivalent Te(1)Ge6 octahedra, and edges with six equivalent Se(1)Ge6 octahedra. The corner-sharing octahedral tilt angles are 3°. is represented by the CIF card [CIF]
data_Ge2TeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.132
_cell_length_b   7.132
_cell_length_c   7.132
_cell_angle_alpha   33.583
_cell_angle_beta   33.583
_cell_angle_gamma   33.583
_symmetry_Int_Tables_number   1
_cell_volume   98.871
_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  0.245  0.245  0.245  1.0
  Ge  Ge1  1  0.755  0.755  0.755  1.0
  Te  Te2  1  0.000  0.000  0.000  1.0
  Se  Se3  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by Ge2TeSe is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ge(1) is bonded to three equivalent Te(1) and three equivalent Se(1) atoms to form a mixture of edge and corner-sharing GeTe3Se3 octahedra. The corner-sharing octahedra are not tilted. Te(1) is bonded to six equivalent Ge(1) atoms to form TeGe6 octahedra that share corners with six equivalent Se(1)Ge6 octahedra, edges with six equivalent Te(1)Ge6 octahedra, and edges with six equivalent Se(1)Ge6 octahedra. The corner-sharing octahedral tilt angles are 3°. Se(1) is bonded to six equivalent Ge(1) atoms to form SeGe6 octahedra that share corners with six equivalent Te(1)Ge6 octahedra, edges with six equivalent Te(1)Ge6 octahedra, and edges with six equivalent Se(1)Ge6 octahedra. The corner-sharing octahedral tilt angles are 3°. is represented by the CIF card [CIF]
data_Ge2TeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.132
_cell_length_b   7.132
_cell_length_c   7.132
_cell_angle_alpha   33.583
_cell_angle_beta   33.583
_cell_angle_gamma   33.583
_symmetry_Int_Tables_number   1
_cell_volume   98.871
_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  0.245  0.245  0.245  1.0
  Ge  Ge1  1  0.755  0.755  0.755  1.0
  Te  Te2  1  0.000  0.000  0.000  1.0
  Se  Se3  1  0.500  0.500  0.500  1.0
[/CIF]
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