The structure described by AgBiSe2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Ag(1) is bonded to six equivalent Se(1) atoms to form AgSe6 octahedra that share corners with two equivalent Bi(1)Se6 octahedra, corners with four equivalent Ag(1)Se6 octahedra, edges with four equivalent Ag(1)Se6 octahedra, and edges with eight equivalent Bi(1)Se6 octahedra. The corner-sharing octahedra are not tilted. Bi(1) is bonded to six equivalent Se(1) atoms to form BiSe6 octahedra that share corners with two equivalent Ag(1)Se6 octahedra, corners with four equivalent Bi(1)Se6 octahedra, edges with four equivalent Bi(1)Se6 octahedra, and edges with eight equivalent Ag(1)Se6 octahedra. The corner-sharing octahedra are not tilted. Se(1) is bonded to three equivalent Ag(1) and three equivalent Bi(1) atoms to form a mixture of corner and edge-sharing SeAg3Bi3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_AgBiSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.245
_cell_length_b   7.245
_cell_length_c   7.245
_cell_angle_alpha   132.267
_cell_angle_beta   132.267
_cell_angle_gamma   69.807
_symmetry_Int_Tables_number   1
_cell_volume   204.200
_cell_formula_units_Z   2
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  0.250  0.750  0.500  1.0
  Bi  Bi2  1  0.000  0.000  0.000  1.0
  Bi  Bi3  1  0.750  0.250  0.500  1.0
  Se  Se4  1  0.750  0.750  0.000  1.0
  Se  Se5  1  0.250  0.250  0.000  1.0
  Se  Se6  1  0.000  0.500  0.500  1.0
  Se  Se7  1  0.500  1.000  0.500  1.0
[/CIF]
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The structure described by AgBiSe2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Ag(1) is bonded to six equivalent Se(1) atoms to form AgSe6 octahedra that share corners with two equivalent Bi(1)Se6 octahedra, corners with four equivalent Ag(1)Se6 octahedra, edges with four equivalent Ag(1)Se6 octahedra, and edges with eight equivalent Bi(1)Se6 octahedra. The corner-sharing octahedra are not tilted. Bi(1) is bonded to six equivalent Se(1) atoms to form BiSe6 octahedra that share corners with two equivalent Ag(1)Se6 octahedra, corners with four equivalent Bi(1)Se6 octahedra, edges with four equivalent Bi(1)Se6 octahedra, and edges with eight equivalent Ag(1)Se6 octahedra. The corner-sharing octahedra are not tilted. Se(1) is bonded to three equivalent Ag(1) and three equivalent Bi(1) atoms to form a mixture of corner and edge-sharing SeAg3Bi3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_AgBiSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.245
_cell_length_b   7.245
_cell_length_c   7.245
_cell_angle_alpha   132.267
_cell_angle_beta   132.267
_cell_angle_gamma   69.807
_symmetry_Int_Tables_number   1
_cell_volume   204.200
_cell_formula_units_Z   2
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  0.250  0.750  0.500  1.0
  Bi  Bi2  1  0.000  0.000  0.000  1.0
  Bi  Bi3  1  0.750  0.250  0.500  1.0
  Se  Se4  1  0.750  0.750  0.000  1.0
  Se  Se5  1  0.250  0.250  0.000  1.0
  Se  Se6  1  0.000  0.500  0.500  1.0
  Se  Se7  1  0.500  1.000  0.500  1.0
[/CIF]
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