The structure described by AgSbTe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4_2/mmc space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two Sb(1,1) and four equivalent Te(2) atoms to form AgSb2Te4 octahedra that share corners with six equivalent Ag(1)Sb2Te4 octahedra, edges with four equivalent Ag(2)Sb2Te4 octahedra, edges with four equivalent Sb(2)Sb2Te4 octahedra, and edges with four equivalent Te(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Ag site, Ag(2) is bonded to two equivalent Sb(1), two equivalent Te(2), and two equivalent Te(3) atoms to form AgSb2Te4 octahedra that share corners with two equivalent Sb(2)Sb2Te4 octahedra, corners with four equivalent Ag(2)Sb2Te4 octahedra, edges with four equivalent Ag(1)Sb2Te4 octahedra, edges with four equivalent Sb(2)Sb2Te4 octahedra, and edges with four equivalent Te(1)Te6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent Ag(1), two equivalent Ag(2), and two equivalent Sb(2) atoms to form SbAg4Sb2 octahedra that share corners with six Sb(1,1)Ag4Sb2 octahedra; edges with four equivalent Te(3)Ag2Sb2Te2 octahedra; and edges with eight equivalent Te(2)Ag3SbTe2 octahedra. The corner-sharing octahedra are not tilted. In the second Sb site, Sb(1) is bonded to two equivalent Ag(1), two equivalent Ag(2), and two equivalent Sb(2) atoms to form SbAg4Sb2 octahedra that share corners with six Sb(1,1)Ag4Sb2 octahedra; edges with four equivalent Te(3)Ag2Sb2Te2 octahedra; and edges with eight equivalent Te(2)Ag3SbTe2 octahedra. The corner-sharing octahedra are not tilted. In the third Sb site, Sb(2) is bonded to two equivalent Sb(1), two equivalent Te(2), and two equivalent Te(3) atoms to form SbSb2Te4 octahedra that share corners with two equivalent Ag(2)Sb2Te4 octahedra, corners with four equivalent Sb(2)Sb2Te4 octahedra, edges with four equivalent Ag(1)Sb2Te4 octahedra, edges with four equivalent Ag(2)Sb2Te4 octahedra, and edges with four equivalent Te(1)Te6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Te(3) and four equivalent Te(2) atoms to form TeTe6 octahedra that share corners with six equivalent Te(1)Te6 octahedra, edges with four equivalent Ag(1)Sb2Te4 octahedra, edges with four equivalent Ag(2)Sb2Te4 octahedra, and edges with four equivalent Sb(2)Sb2Te4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Te site, Te(2) is bonded to one Ag(2), two equivalent Ag(1), one Sb(2), and two equivalent Te(1) atoms to form TeAg3SbTe2 octahedra that share corners with six equivalent Te(2)Ag3SbTe2 octahedra; edges with four Sb(1,1)Ag4Sb2 octahedra; edges with four equivalent Te(3)Ag2Sb2Te2 octahedra; and edges with four equivalent Te(2)Ag3SbTe2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third Te site, Te(3) is bonded to two equivalent Ag(2), two equivalent Sb(2), and two equivalent Te(1) atoms to form TeAg2Sb2Te2 octahedra that share corners with six equivalent Te(3)Ag2Sb2Te2 octahedra, edges with four equivalent Sb(1)Ag4Sb2 octahedra, and edges with eight equivalent Te(2)Ag3SbTe2 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_AgSbTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.137
_cell_length_b   6.137
_cell_length_c   12.109
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   455.975
_cell_formula_units_Z   4
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  0.500  0.500  0.000  1.0
  Ag  Ag1  1  0.500  0.000  0.750  1.0
  Ag  Ag2  1  0.500  0.500  0.500  1.0
  Ag  Ag3  1  0.000  0.500  0.250  1.0
  Sb  Sb4  1  0.500  0.500  0.250  1.0
  Sb  Sb5  1  0.500  0.500  0.750  1.0
  Sb  Sb6  1  0.500  0.000  0.250  1.0
  Sb  Sb7  1  0.000  0.500  0.750  1.0
  Te  Te8  1  0.000  0.000  0.000  1.0
  Te  Te9  1  0.500  0.000  0.998  1.0
  Te  Te10  1  0.500  0.000  0.502  1.0
  Te  Te11  1  0.000  0.000  0.250  1.0
  Te  Te12  1  0.000  0.000  0.500  1.0
  Te  Te13  1  0.000  0.500  0.002  1.0
  Te  Te14  1  0.000  0.500  0.498  1.0
  Te  Te15  1  0.000  0.000  0.750  1.0
[/CIF]
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The structure described by AgSbTe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4_2/mmc space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two Sb(1,1) and four equivalent Te(2) atoms to form AgSb2Te4 octahedra that share corners with six equivalent Ag(1)Sb2Te4 octahedra, edges with four equivalent Ag(2)Sb2Te4 octahedra, edges with four equivalent Sb(2)Sb2Te4 octahedra, and edges with four equivalent Te(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Ag site, Ag(2) is bonded to two equivalent Sb(1), two equivalent Te(2), and two equivalent Te(3) atoms to form AgSb2Te4 octahedra that share corners with two equivalent Sb(2)Sb2Te4 octahedra, corners with four equivalent Ag(2)Sb2Te4 octahedra, edges with four equivalent Ag(1)Sb2Te4 octahedra, edges with four equivalent Sb(2)Sb2Te4 octahedra, and edges with four equivalent Te(1)Te6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent Ag(1), two equivalent Ag(2), and two equivalent Sb(2) atoms to form SbAg4Sb2 octahedra that share corners with six Sb(1,1)Ag4Sb2 octahedra; edges with four equivalent Te(3)Ag2Sb2Te2 octahedra; and edges with eight equivalent Te(2)Ag3SbTe2 octahedra. The corner-sharing octahedra are not tilted. In the second Sb site, Sb(1) is bonded to two equivalent Ag(1), two equivalent Ag(2), and two equivalent Sb(2) atoms to form SbAg4Sb2 octahedra that share corners with six Sb(1,1)Ag4Sb2 octahedra; edges with four equivalent Te(3)Ag2Sb2Te2 octahedra; and edges with eight equivalent Te(2)Ag3SbTe2 octahedra. The corner-sharing octahedra are not tilted. In the third Sb site, Sb(2) is bonded to two equivalent Sb(1), two equivalent Te(2), and two equivalent Te(3) atoms to form SbSb2Te4 octahedra that share corners with two equivalent Ag(2)Sb2Te4 octahedra, corners with four equivalent Sb(2)Sb2Te4 octahedra, edges with four equivalent Ag(1)Sb2Te4 octahedra, edges with four equivalent Ag(2)Sb2Te4 octahedra, and edges with four equivalent Te(1)Te6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Te(3) and four equivalent Te(2) atoms to form TeTe6 octahedra that share corners with six equivalent Te(1)Te6 octahedra, edges with four equivalent Ag(1)Sb2Te4 octahedra, edges with four equivalent Ag(2)Sb2Te4 octahedra, and edges with four equivalent Sb(2)Sb2Te4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Te site, Te(2) is bonded to one Ag(2), two equivalent Ag(1), one Sb(2), and two equivalent Te(1) atoms to form TeAg3SbTe2 octahedra that share corners with six equivalent Te(2)Ag3SbTe2 octahedra; edges with four Sb(1,1)Ag4Sb2 octahedra; edges with four equivalent Te(3)Ag2Sb2Te2 octahedra; and edges with four equivalent Te(2)Ag3SbTe2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third Te site, Te(3) is bonded to two equivalent Ag(2), two equivalent Sb(2), and two equivalent Te(1) atoms to form TeAg2Sb2Te2 octahedra that share corners with six equivalent Te(3)Ag2Sb2Te2 octahedra, edges with four equivalent Sb(1)Ag4Sb2 octahedra, and edges with eight equivalent Te(2)Ag3SbTe2 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_AgSbTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.137
_cell_length_b   6.137
_cell_length_c   12.109
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   455.975
_cell_formula_units_Z   4
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  0.500  0.500  0.000  1.0
  Ag  Ag1  1  0.500  0.000  0.750  1.0
  Ag  Ag2  1  0.500  0.500  0.500  1.0
  Ag  Ag3  1  0.000  0.500  0.250  1.0
  Sb  Sb4  1  0.500  0.500  0.250  1.0
  Sb  Sb5  1  0.500  0.500  0.750  1.0
  Sb  Sb6  1  0.500  0.000  0.250  1.0
  Sb  Sb7  1  0.000  0.500  0.750  1.0
  Te  Te8  1  0.000  0.000  0.000  1.0
  Te  Te9  1  0.500  0.000  0.998  1.0
  Te  Te10  1  0.500  0.000  0.502  1.0
  Te  Te11  1  0.000  0.000  0.250  1.0
  Te  Te12  1  0.000  0.000  0.500  1.0
  Te  Te13  1  0.000  0.500  0.002  1.0
  Te  Te14  1  0.000  0.500  0.498  1.0
  Te  Te15  1  0.000  0.000  0.750  1.0
[/CIF]
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