The compound described by Ag3SbTe4 is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. Ag(1) is bonded to two equivalent Sb(1) and four equivalent Te(1) atoms to form AgSb2Te4 octahedra that share corners with six equivalent Ag(1)Sb2Te4 octahedra, edges with four equivalent Te(2)Te6 octahedra, and edges with eight equivalent Ag(1)Sb2Te4 octahedra. The corner-sharing octahedra are not tilted. Sb(1) is bonded to six equivalent Ag(1) atoms to form SbAg6 octahedra that share corners with six equivalent Sb(1)Ag6 octahedra and edges with twelve equivalent Te(1)Ag4Te2 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to four equivalent Ag(1) and two equivalent Te(2) atoms to form TeAg4Te2 octahedra that share corners with six equivalent Te(1)Ag4Te2 octahedra, edges with four equivalent Sb(1)Ag6 octahedra, and edges with eight equivalent Te(1)Ag4Te2 octahedra. The corner-sharing octahedra are not tilted. In the second Te site, Te(2) is bonded to six equivalent Te(1) atoms to form TeTe6 octahedra that share corners with six equivalent Te(2)Te6 octahedra and edges with twelve equivalent Ag(1)Sb2Te4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ag3SbTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.985
_cell_length_b   5.985
_cell_length_c   5.985
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   214.434
_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
  Ag  Ag0  1  0.000  0.500  0.500  1.0
  Ag  Ag1  1  0.500  0.000  0.500  1.0
  Ag  Ag2  1  0.500  0.500  0.000  1.0
  Sb  Sb3  1  0.500  0.500  0.500  1.0
  Te  Te4  1  0.500  0.000  0.000  1.0
  Te  Te5  1  0.000  0.500  0.000  1.0
  Te  Te6  1  0.000  0.000  0.500  1.0
  Te  Te7  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Ag3SbTe4 is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. Ag(1) is bonded to two equivalent Sb(1) and four equivalent Te(1) atoms to form AgSb2Te4 octahedra that share corners with six equivalent Ag(1)Sb2Te4 octahedra, edges with four equivalent Te(2)Te6 octahedra, and edges with eight equivalent Ag(1)Sb2Te4 octahedra. The corner-sharing octahedra are not tilted. Sb(1) is bonded to six equivalent Ag(1) atoms to form SbAg6 octahedra that share corners with six equivalent Sb(1)Ag6 octahedra and edges with twelve equivalent Te(1)Ag4Te2 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to four equivalent Ag(1) and two equivalent Te(2) atoms to form TeAg4Te2 octahedra that share corners with six equivalent Te(1)Ag4Te2 octahedra, edges with four equivalent Sb(1)Ag6 octahedra, and edges with eight equivalent Te(1)Ag4Te2 octahedra. The corner-sharing octahedra are not tilted. In the second Te site, Te(2) is bonded to six equivalent Te(1) atoms to form TeTe6 octahedra that share corners with six equivalent Te(2)Te6 octahedra and edges with twelve equivalent Ag(1)Sb2Te4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ag3SbTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.985
_cell_length_b   5.985
_cell_length_c   5.985
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   214.434
_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
  Ag  Ag0  1  0.000  0.500  0.500  1.0
  Ag  Ag1  1  0.500  0.000  0.500  1.0
  Ag  Ag2  1  0.500  0.500  0.000  1.0
  Sb  Sb3  1  0.500  0.500  0.500  1.0
  Te  Te4  1  0.500  0.000  0.000  1.0
  Te  Te5  1  0.000  0.500  0.000  1.0
  Te  Te6  1  0.000  0.000  0.500  1.0
  Te  Te7  1  0.000  0.000  0.000  1.0
[/CIF]
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