The crystal structure described by AgSbTe2 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one Te(2), one Te(5), and four equivalent Te(1) atoms to form AgTe6 octahedra that share  a cornercorner with one Ag(3)Te6 octahedra,  a cornercorner with one Sb(2)Te6 octahedra, corners with four equivalent Ag(1)Te6 octahedra, edges with four equivalent Ag(1)Te6 octahedra, edges with four equivalent Ag(2)Te6 octahedra, and edges with four equivalent Sb(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second Ag site, Ag(2) is bonded to one Te(1), one Te(3), and four equivalent Te(2) atoms to form AgTe6 octahedra that share  a cornercorner with one Ag(4)Te6 octahedra,  a cornercorner with one Sb(1)Te6 octahedra, corners with four equivalent Ag(2)Te6 octahedra, edges with four equivalent Ag(1)Te6 octahedra, edges with four equivalent Ag(2)Te6 octahedra, and edges with four equivalent Ag(3)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third Ag site, Ag(3) is bonded to one Te(2), one Te(4), and four equivalent Te(3) atoms to form a mixture of corner and edge-sharing AgTe6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth Ag site, Ag(4) is bonded to two equivalent Te(3) and four equivalent Te(4) atoms to form a mixture of corner and edge-sharing AgTe6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one Te(1), one Te(6), and four equivalent Te(5) atoms to form distorted SbTe6 octahedra that share  a cornercorner with one Ag(2)Te6 octahedra,  a cornercorner with one Sb(3)Te6 octahedra, corners with four equivalent Sb(1)Te6 octahedra, edges with four equivalent Ag(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 0-12°. In the second Sb site, Sb(2) is bonded to one Te(5), one Te(7), and four equivalent Te(6) atoms to form SbTe6 octahedra that share  a cornercorner with one Ag(1)Te6 octahedra,  a cornercorner with one Sb(4)Te6 octahedra, corners with four equivalent Sb(2)Te6 octahedra, edges with four equivalent Sb(1)Te6 octahedra, edges with four equivalent Sb(2)Te6 octahedra, and edges with four equivalent Sb(3)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third Sb site, Sb(3) is bonded to one Te(6), one Te(8), and four equivalent Te(7) atoms to form a mixture of corner and edge-sharing SbTe6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth Sb site, Sb(4) is bonded to two equivalent Te(7) and four equivalent Te(8) atoms to form a mixture of corner and edge-sharing SbTe6 octahedra. The corner-sharing octahedra are not tilted. There are eight inequivalent Te sites. In the first Te site, Te(5) is bonded to one Ag(1), one Sb(2), and four equivalent Sb(1) atoms to form TeAgSb5 octahedra that share  a cornercorner with one Te(2)Ag6 octahedra,  a cornercorner with one Te(7)Sb6 octahedra, corners with four equivalent Te(5)AgSb5 octahedra, edges with four equivalent Te(1)Ag5Sb octahedra, edges with four equivalent Te(5)AgSb5 octahedra, and edges with four equivalent Te(6)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second Te site, Te(6) is bonded to one Sb(1), one Sb(3), and four equivalent Sb(2) atoms to form TeSb6 octahedra that share  a cornercorner with one Te(1)Ag5Sb octahedra,  a cornercorner with one Te(8)Sb6 octahedra, corners with four equivalent Te(6)Sb6 octahedra, edges with four equivalent Te(5)AgSb5 octahedra, edges with four equivalent Te(6)Sb6 octahedra, and edges with four equivalent Te(7)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third Te site, Te(7) is bonded to one Sb(2), one Sb(4), and four equivalent Sb(3) atoms to form TeSb6 octahedra that share  a cornercorner with one Te(5)AgSb5 octahedra, corners with five equivalent Te(7)Sb6 octahedra, edges with four equivalent Te(6)Sb6 octahedra, edges with four equivalent Te(7)Sb6 octahedra, and edges with four equivalent Te(8)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth Te site, Te(8) is bonded to two equivalent Sb(3) and four equivalent Sb(4) atoms to form a mixture of corner and edge-sharing TeSb6 octahedra. The corner-sharing octahedra are not tilted. In the fifth Te site, Te(1) is bonded to one Ag(2), four equivalent Ag(1), and one Sb(1) atom to form TeAg5Sb octahedra that share  a cornercorner with one Te(3)Ag6 octahedra,  a cornercorner with one Te(6)Sb6 octahedra, corners with four equivalent Te(1)Ag5Sb octahedra, edges with four equivalent Te(1)Ag5Sb octahedra, edges with four equivalent Te(2)Ag6 octahedra, and edges with four equivalent Te(5)AgSb5 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the sixth Te site, Te(2) is bonded to one Ag(1), one Ag(3), and four equivalent Ag(2) atoms to form TeAg6 octahedra that share  a cornercorner with one Te(4)Ag6 octahedra,  a cornercorner with one Te(5)AgSb5 octahedra, corners with four equivalent Te(2)Ag6 octahedra, edges with four equivalent Te(1)Ag5Sb octahedra, edges with four equivalent Te(2)Ag6 octahedra, and edges with four equivalent Te(3)Ag6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the seventh Te site, Te(3) is bonded to one Ag(2), one Ag(4), and four equivalent Ag(3) atoms to form TeAg6 octahedra that share  a cornercorner with one Te(1)Ag5Sb octahedra, corners with five equivalent Te(3)Ag6 octahedra, edges with four equivalent Te(2)Ag6 octahedra, edges with four equivalent Te(3)Ag6 octahedra, and edges with four equivalent Te(4)Ag6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the eighth Te site, Te(4) is bonded to two equivalent Ag(3) and four equivalent Ag(4) atoms to form a mixture of corner and edge-sharing TeAg6 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   4.389
_cell_length_b   61.126
_cell_length_c   59.000
_cell_angle_alpha   3.664
_cell_angle_beta   58.082
_cell_angle_gamma   59.230
_symmetry_Int_Tables_number   1
_cell_volume   820.188
_cell_formula_units_Z   7
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  0.920  0.431  0.080  1.0
  Ag  Ag1  1  0.934  0.515  0.066  1.0
  Ag  Ag2  1  0.974  0.621  0.026  1.0
  Ag  Ag3  1  0.000  0.714  1.000  1.0
  Ag  Ag4  1  0.066  0.913  0.935  1.0
  Ag  Ag5  1  0.026  0.808  0.974  1.0
  Ag  Ag6  1  0.080  0.997  0.920  1.0
  Sb  Sb7  1  0.071  0.061  0.929  1.0
  Sb  Sb8  1  0.022  0.090  0.978  1.0
  Sb  Sb9  1  0.020  0.160  0.980  1.0
  Sb  Sb10  1  1.000  0.214  1.000  1.0
  Sb  Sb11  1  0.980  0.269  0.020  1.0
  Sb  Sb12  1  0.977  0.338  0.022  1.0
  Sb  Sb13  1  0.929  0.368  0.071  1.0
  Te  Te14  1  0.469  0.973  0.531  1.0
  Te  Te15  1  0.447  0.026  0.553  1.0
  Te  Te16  1  0.459  0.107  0.541  1.0
  Te  Te17  1  0.500  0.214  0.500  1.0
  Te  Te18  1  0.542  0.321  0.459  1.0
  Te  Te19  1  0.553  0.402  0.447  1.0
  Te  Te20  1  0.531  0.455  0.469  1.0
  Te  Te21  1  0.516  0.514  0.484  1.0
  Te  Te22  1  0.509  0.579  0.491  1.0
  Te  Te23  1  0.508  0.649  0.493  1.0
  Te  Te24  1  0.500  0.714  0.500  1.0
  Te  Te25  1  0.493  0.780  0.507  1.0
  Te  Te26  1  0.491  0.849  0.509  1.0
  Te  Te27  1  0.483  0.915  0.516  1.0
[/CIF]
.
The crystal structure described by AgSbTe2 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one Te(2), one Te(5), and four equivalent Te(1) atoms to form AgTe6 octahedra that share  a cornercorner with one Ag(3)Te6 octahedra,  a cornercorner with one Sb(2)Te6 octahedra, corners with four equivalent Ag(1)Te6 octahedra, edges with four equivalent Ag(1)Te6 octahedra, edges with four equivalent Ag(2)Te6 octahedra, and edges with four equivalent Sb(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second Ag site, Ag(2) is bonded to one Te(1), one Te(3), and four equivalent Te(2) atoms to form AgTe6 octahedra that share  a cornercorner with one Ag(4)Te6 octahedra,  a cornercorner with one Sb(1)Te6 octahedra, corners with four equivalent Ag(2)Te6 octahedra, edges with four equivalent Ag(1)Te6 octahedra, edges with four equivalent Ag(2)Te6 octahedra, and edges with four equivalent Ag(3)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third Ag site, Ag(3) is bonded to one Te(2), one Te(4), and four equivalent Te(3) atoms to form a mixture of corner and edge-sharing AgTe6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth Ag site, Ag(4) is bonded to two equivalent Te(3) and four equivalent Te(4) atoms to form a mixture of corner and edge-sharing AgTe6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one Te(1), one Te(6), and four equivalent Te(5) atoms to form distorted SbTe6 octahedra that share  a cornercorner with one Ag(2)Te6 octahedra,  a cornercorner with one Sb(3)Te6 octahedra, corners with four equivalent Sb(1)Te6 octahedra, edges with four equivalent Ag(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 0-12°. In the second Sb site, Sb(2) is bonded to one Te(5), one Te(7), and four equivalent Te(6) atoms to form SbTe6 octahedra that share  a cornercorner with one Ag(1)Te6 octahedra,  a cornercorner with one Sb(4)Te6 octahedra, corners with four equivalent Sb(2)Te6 octahedra, edges with four equivalent Sb(1)Te6 octahedra, edges with four equivalent Sb(2)Te6 octahedra, and edges with four equivalent Sb(3)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third Sb site, Sb(3) is bonded to one Te(6), one Te(8), and four equivalent Te(7) atoms to form a mixture of corner and edge-sharing SbTe6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth Sb site, Sb(4) is bonded to two equivalent Te(7) and four equivalent Te(8) atoms to form a mixture of corner and edge-sharing SbTe6 octahedra. The corner-sharing octahedra are not tilted. There are eight inequivalent Te sites. In the first Te site, Te(5) is bonded to one Ag(1), one Sb(2), and four equivalent Sb(1) atoms to form TeAgSb5 octahedra that share  a cornercorner with one Te(2)Ag6 octahedra,  a cornercorner with one Te(7)Sb6 octahedra, corners with four equivalent Te(5)AgSb5 octahedra, edges with four equivalent Te(1)Ag5Sb octahedra, edges with four equivalent Te(5)AgSb5 octahedra, and edges with four equivalent Te(6)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second Te site, Te(6) is bonded to one Sb(1), one Sb(3), and four equivalent Sb(2) atoms to form TeSb6 octahedra that share  a cornercorner with one Te(1)Ag5Sb octahedra,  a cornercorner with one Te(8)Sb6 octahedra, corners with four equivalent Te(6)Sb6 octahedra, edges with four equivalent Te(5)AgSb5 octahedra, edges with four equivalent Te(6)Sb6 octahedra, and edges with four equivalent Te(7)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third Te site, Te(7) is bonded to one Sb(2), one Sb(4), and four equivalent Sb(3) atoms to form TeSb6 octahedra that share  a cornercorner with one Te(5)AgSb5 octahedra, corners with five equivalent Te(7)Sb6 octahedra, edges with four equivalent Te(6)Sb6 octahedra, edges with four equivalent Te(7)Sb6 octahedra, and edges with four equivalent Te(8)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth Te site, Te(8) is bonded to two equivalent Sb(3) and four equivalent Sb(4) atoms to form a mixture of corner and edge-sharing TeSb6 octahedra. The corner-sharing octahedra are not tilted. In the fifth Te site, Te(1) is bonded to one Ag(2), four equivalent Ag(1), and one Sb(1) atom to form TeAg5Sb octahedra that share  a cornercorner with one Te(3)Ag6 octahedra,  a cornercorner with one Te(6)Sb6 octahedra, corners with four equivalent Te(1)Ag5Sb octahedra, edges with four equivalent Te(1)Ag5Sb octahedra, edges with four equivalent Te(2)Ag6 octahedra, and edges with four equivalent Te(5)AgSb5 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the sixth Te site, Te(2) is bonded to one Ag(1), one Ag(3), and four equivalent Ag(2) atoms to form TeAg6 octahedra that share  a cornercorner with one Te(4)Ag6 octahedra,  a cornercorner with one Te(5)AgSb5 octahedra, corners with four equivalent Te(2)Ag6 octahedra, edges with four equivalent Te(1)Ag5Sb octahedra, edges with four equivalent Te(2)Ag6 octahedra, and edges with four equivalent Te(3)Ag6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the seventh Te site, Te(3) is bonded to one Ag(2), one Ag(4), and four equivalent Ag(3) atoms to form TeAg6 octahedra that share  a cornercorner with one Te(1)Ag5Sb octahedra, corners with five equivalent Te(3)Ag6 octahedra, edges with four equivalent Te(2)Ag6 octahedra, edges with four equivalent Te(3)Ag6 octahedra, and edges with four equivalent Te(4)Ag6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the eighth Te site, Te(4) is bonded to two equivalent Ag(3) and four equivalent Ag(4) atoms to form a mixture of corner and edge-sharing TeAg6 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   4.389
_cell_length_b   61.126
_cell_length_c   59.000
_cell_angle_alpha   3.664
_cell_angle_beta   58.082
_cell_angle_gamma   59.230
_symmetry_Int_Tables_number   1
_cell_volume   820.188
_cell_formula_units_Z   7
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  0.920  0.431  0.080  1.0
  Ag  Ag1  1  0.934  0.515  0.066  1.0
  Ag  Ag2  1  0.974  0.621  0.026  1.0
  Ag  Ag3  1  0.000  0.714  1.000  1.0
  Ag  Ag4  1  0.066  0.913  0.935  1.0
  Ag  Ag5  1  0.026  0.808  0.974  1.0
  Ag  Ag6  1  0.080  0.997  0.920  1.0
  Sb  Sb7  1  0.071  0.061  0.929  1.0
  Sb  Sb8  1  0.022  0.090  0.978  1.0
  Sb  Sb9  1  0.020  0.160  0.980  1.0
  Sb  Sb10  1  1.000  0.214  1.000  1.0
  Sb  Sb11  1  0.980  0.269  0.020  1.0
  Sb  Sb12  1  0.977  0.338  0.022  1.0
  Sb  Sb13  1  0.929  0.368  0.071  1.0
  Te  Te14  1  0.469  0.973  0.531  1.0
  Te  Te15  1  0.447  0.026  0.553  1.0
  Te  Te16  1  0.459  0.107  0.541  1.0
  Te  Te17  1  0.500  0.214  0.500  1.0
  Te  Te18  1  0.542  0.321  0.459  1.0
  Te  Te19  1  0.553  0.402  0.447  1.0
  Te  Te20  1  0.531  0.455  0.469  1.0
  Te  Te21  1  0.516  0.514  0.484  1.0
  Te  Te22  1  0.509  0.579  0.491  1.0
  Te  Te23  1  0.508  0.649  0.493  1.0
  Te  Te24  1  0.500  0.714  0.500  1.0
  Te  Te25  1  0.493  0.780  0.507  1.0
  Te  Te26  1  0.491  0.849  0.509  1.0
  Te  Te27  1  0.483  0.915  0.516  1.0
[/CIF]
.