The crystal structure described by Ag2BiSb(TeSe)2 is Caswellsilverite-derived structured and crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one Te(1), two equivalent Te(2), one Se(1), and two equivalent Se(2) atoms to form AgTe3Se3 octahedra that share corners with two equivalent Sb(1)Te3Se3 octahedra, corners with four equivalent Ag(1)Te3Se3 octahedra, edges with four equivalent Ag(2)Te3Se3 octahedra, edges with four equivalent Bi(1)Te3Se3 octahedra, and edges with four equivalent Sb(1)Te3Se3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Ag site, Ag(2) is bonded to one Te(2), two equivalent Te(1), one Se(2), and two equivalent Se(1) atoms to form AgTe3Se3 octahedra that share corners with two equivalent Bi(1)Te3Se3 octahedra, corners with four equivalent Ag(2)Te3Se3 octahedra, edges with four equivalent Ag(1)Te3Se3 octahedra, edges with four equivalent Bi(1)Te3Se3 octahedra, and edges with four equivalent Sb(1)Te3Se3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Bi(1) is bonded to one Te(2), two equivalent Te(1), one Se(2), and two equivalent Se(1) atoms to form distorted BiTe3Se3 octahedra that share corners with two equivalent Ag(2)Te3Se3 octahedra, corners with four equivalent Bi(1)Te3Se3 octahedra, edges with four equivalent Ag(1)Te3Se3 octahedra, edges with four equivalent Ag(2)Te3Se3 octahedra, and edges with four equivalent Sb(1)Te3Se3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. Sb(1) is bonded to one Te(1), two equivalent Te(2), one Se(1), and two equivalent Se(2) atoms to form distorted SbTe3Se3 octahedra that share corners with two equivalent Ag(1)Te3Se3 octahedra, corners with four equivalent Sb(1)Te3Se3 octahedra, edges with four equivalent Ag(1)Te3Se3 octahedra, edges with four equivalent Ag(2)Te3Se3 octahedra, and edges with four equivalent Bi(1)Te3Se3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Ag(1), two equivalent Ag(2), two equivalent Bi(1), and one Sb(1) atom to form TeAg3Bi2Sb octahedra that share corners with two equivalent Se(1)Ag3Bi2Sb octahedra, corners with four equivalent Te(1)Ag3Bi2Sb octahedra, edges with four equivalent Te(2)Ag3BiSb2 octahedra, edges with four equivalent Se(1)Ag3Bi2Sb octahedra, and edges with four equivalent Se(2)Ag3BiSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Te site, Te(2) is bonded to one Ag(2), two equivalent Ag(1), one Bi(1), and two equivalent Sb(1) atoms to form TeAg3BiSb2 octahedra that share corners with two equivalent Se(2)Ag3BiSb2 octahedra, corners with four equivalent Te(2)Ag3BiSb2 octahedra, edges with four equivalent Te(1)Ag3Bi2Sb octahedra, edges with four equivalent Se(1)Ag3Bi2Sb octahedra, and edges with four equivalent Se(2)Ag3BiSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Ag(1), two equivalent Ag(2), two equivalent Bi(1), and one Sb(1) atom to form SeAg3Bi2Sb octahedra that share corners with two equivalent Te(1)Ag3Bi2Sb octahedra, corners with four equivalent Se(1)Ag3Bi2Sb octahedra, edges with four equivalent Te(1)Ag3Bi2Sb octahedra, edges with four equivalent Te(2)Ag3BiSb2 octahedra, and edges with four equivalent Se(2)Ag3BiSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second Se site, Se(2) is bonded to one Ag(2), two equivalent Ag(1), one Bi(1), and two equivalent Sb(1) atoms to form SeAg3BiSb2 octahedra that share corners with two equivalent Te(2)Ag3BiSb2 octahedra, corners with four equivalent Se(2)Ag3BiSb2 octahedra, edges with four equivalent Te(1)Ag3Bi2Sb octahedra, edges with four equivalent Te(2)Ag3BiSb2 octahedra, and edges with four equivalent Se(1)Ag3Bi2Sb octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the CIF card [CIF]
data_Ag2BiSb(TeSe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.343
_cell_length_b   7.343
_cell_length_c   7.343
_cell_angle_alpha   131.688
_cell_angle_beta   131.335
_cell_angle_gamma   71.002
_symmetry_Int_Tables_number   1
_cell_volume   217.403
_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  0.997  0.997  0.000  1.0
  Ag  Ag1  1  0.245  0.745  0.500  1.0
  Bi  Bi2  1  0.762  0.262  0.500  1.0
  Sb  Sb3  1  0.512  0.512  0.000  1.0
  Te  Te4  1  0.247  0.247  0.000  1.0
  Te  Te5  1  0.493  0.993  0.500  1.0
  Se  Se6  1  0.744  0.744  0.000  1.0
  Se  Se7  1  0.001  0.501  0.500  1.0
[/CIF]
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The crystal structure described by Ag2BiSb(TeSe)2 is Caswellsilverite-derived structured and crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one Te(1), two equivalent Te(2), one Se(1), and two equivalent Se(2) atoms to form AgTe3Se3 octahedra that share corners with two equivalent Sb(1)Te3Se3 octahedra, corners with four equivalent Ag(1)Te3Se3 octahedra, edges with four equivalent Ag(2)Te3Se3 octahedra, edges with four equivalent Bi(1)Te3Se3 octahedra, and edges with four equivalent Sb(1)Te3Se3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Ag site, Ag(2) is bonded to one Te(2), two equivalent Te(1), one Se(2), and two equivalent Se(1) atoms to form AgTe3Se3 octahedra that share corners with two equivalent Bi(1)Te3Se3 octahedra, corners with four equivalent Ag(2)Te3Se3 octahedra, edges with four equivalent Ag(1)Te3Se3 octahedra, edges with four equivalent Bi(1)Te3Se3 octahedra, and edges with four equivalent Sb(1)Te3Se3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Bi(1) is bonded to one Te(2), two equivalent Te(1), one Se(2), and two equivalent Se(1) atoms to form distorted BiTe3Se3 octahedra that share corners with two equivalent Ag(2)Te3Se3 octahedra, corners with four equivalent Bi(1)Te3Se3 octahedra, edges with four equivalent Ag(1)Te3Se3 octahedra, edges with four equivalent Ag(2)Te3Se3 octahedra, and edges with four equivalent Sb(1)Te3Se3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. Sb(1) is bonded to one Te(1), two equivalent Te(2), one Se(1), and two equivalent Se(2) atoms to form distorted SbTe3Se3 octahedra that share corners with two equivalent Ag(1)Te3Se3 octahedra, corners with four equivalent Sb(1)Te3Se3 octahedra, edges with four equivalent Ag(1)Te3Se3 octahedra, edges with four equivalent Ag(2)Te3Se3 octahedra, and edges with four equivalent Bi(1)Te3Se3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Ag(1), two equivalent Ag(2), two equivalent Bi(1), and one Sb(1) atom to form TeAg3Bi2Sb octahedra that share corners with two equivalent Se(1)Ag3Bi2Sb octahedra, corners with four equivalent Te(1)Ag3Bi2Sb octahedra, edges with four equivalent Te(2)Ag3BiSb2 octahedra, edges with four equivalent Se(1)Ag3Bi2Sb octahedra, and edges with four equivalent Se(2)Ag3BiSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Te site, Te(2) is bonded to one Ag(2), two equivalent Ag(1), one Bi(1), and two equivalent Sb(1) atoms to form TeAg3BiSb2 octahedra that share corners with two equivalent Se(2)Ag3BiSb2 octahedra, corners with four equivalent Te(2)Ag3BiSb2 octahedra, edges with four equivalent Te(1)Ag3Bi2Sb octahedra, edges with four equivalent Se(1)Ag3Bi2Sb octahedra, and edges with four equivalent Se(2)Ag3BiSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Ag(1), two equivalent Ag(2), two equivalent Bi(1), and one Sb(1) atom to form SeAg3Bi2Sb octahedra that share corners with two equivalent Te(1)Ag3Bi2Sb octahedra, corners with four equivalent Se(1)Ag3Bi2Sb octahedra, edges with four equivalent Te(1)Ag3Bi2Sb octahedra, edges with four equivalent Te(2)Ag3BiSb2 octahedra, and edges with four equivalent Se(2)Ag3BiSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second Se site, Se(2) is bonded to one Ag(2), two equivalent Ag(1), one Bi(1), and two equivalent Sb(1) atoms to form SeAg3BiSb2 octahedra that share corners with two equivalent Te(2)Ag3BiSb2 octahedra, corners with four equivalent Se(2)Ag3BiSb2 octahedra, edges with four equivalent Te(1)Ag3Bi2Sb octahedra, edges with four equivalent Te(2)Ag3BiSb2 octahedra, and edges with four equivalent Se(1)Ag3Bi2Sb octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the CIF card [CIF]
data_Ag2BiSb(TeSe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.343
_cell_length_b   7.343
_cell_length_c   7.343
_cell_angle_alpha   131.688
_cell_angle_beta   131.335
_cell_angle_gamma   71.002
_symmetry_Int_Tables_number   1
_cell_volume   217.403
_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  0.997  0.997  0.000  1.0
  Ag  Ag1  1  0.245  0.745  0.500  1.0
  Bi  Bi2  1  0.762  0.262  0.500  1.0
  Sb  Sb3  1  0.512  0.512  0.000  1.0
  Te  Te4  1  0.247  0.247  0.000  1.0
  Te  Te5  1  0.493  0.993  0.500  1.0
  Se  Se6  1  0.744  0.744  0.000  1.0
  Se  Se7  1  0.001  0.501  0.500  1.0
[/CIF]
.