The structure described by Ag3AuSe2 crystallizes in the cubic I4_132 space group. Au(1) is bonded in a 8-coordinate geometry to six equivalent Ag(1) and two equivalent Se(1) atoms. Ag(1) is bonded in a 6-coordinate geometry to two equivalent Au(1) and four equivalent Se(1) atoms. Se(1) is bonded to one Au(1) and six equivalent Ag(1) atoms to form a mixture of distorted corner and edge-sharing SeAg6Au hexagonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ag3AuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.691
_cell_length_b   8.691
_cell_length_c   8.691
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   505.337
_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  0.250  0.129  0.879  1.0
  Ag  Ag1  1  0.129  0.879  0.250  1.0
  Ag  Ag2  1  0.879  0.250  0.129  1.0
  Ag  Ag3  1  0.129  0.750  0.879  1.0
  Ag  Ag4  1  0.621  0.750  0.371  1.0
  Ag  Ag5  1  0.371  0.250  0.621  1.0
  Ag  Ag6  1  0.879  0.129  0.750  1.0
  Ag  Ag7  1  0.621  0.371  0.250  1.0
  Ag  Ag8  1  0.750  0.879  0.129  1.0
  Ag  Ag9  1  0.250  0.621  0.371  1.0
  Ag  Ag10  1  0.750  0.371  0.621  1.0
  Ag  Ag11  1  0.371  0.621  0.750  1.0
  Au  Au12  1  0.250  0.250  0.250  1.0
  Au  Au13  1  0.000  0.250  0.500  1.0
  Au  Au14  1  0.250  0.500  0.000  1.0
  Au  Au15  1  0.500  0.000  0.250  1.0
  Se  Se16  1  0.500  0.000  0.965  1.0
  Se  Se17  1  0.965  0.500  0.000  1.0
  Se  Se18  1  0.500  0.000  0.535  1.0
  Se  Se19  1  0.000  0.535  0.500  1.0
  Se  Se20  1  0.965  0.965  0.965  1.0
  Se  Se21  1  0.535  0.500  0.000  1.0
  Se  Se22  1  0.535  0.535  0.535  1.0
  Se  Se23  1  0.000  0.965  0.500  1.0
[/CIF]
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The structure described by Ag3AuSe2 crystallizes in the cubic I4_132 space group. Au(1) is bonded in a 8-coordinate geometry to six equivalent Ag(1) and two equivalent Se(1) atoms. Ag(1) is bonded in a 6-coordinate geometry to two equivalent Au(1) and four equivalent Se(1) atoms. Se(1) is bonded to one Au(1) and six equivalent Ag(1) atoms to form a mixture of distorted corner and edge-sharing SeAg6Au hexagonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ag3AuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.691
_cell_length_b   8.691
_cell_length_c   8.691
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   505.337
_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  0.250  0.129  0.879  1.0
  Ag  Ag1  1  0.129  0.879  0.250  1.0
  Ag  Ag2  1  0.879  0.250  0.129  1.0
  Ag  Ag3  1  0.129  0.750  0.879  1.0
  Ag  Ag4  1  0.621  0.750  0.371  1.0
  Ag  Ag5  1  0.371  0.250  0.621  1.0
  Ag  Ag6  1  0.879  0.129  0.750  1.0
  Ag  Ag7  1  0.621  0.371  0.250  1.0
  Ag  Ag8  1  0.750  0.879  0.129  1.0
  Ag  Ag9  1  0.250  0.621  0.371  1.0
  Ag  Ag10  1  0.750  0.371  0.621  1.0
  Ag  Ag11  1  0.371  0.621  0.750  1.0
  Au  Au12  1  0.250  0.250  0.250  1.0
  Au  Au13  1  0.000  0.250  0.500  1.0
  Au  Au14  1  0.250  0.500  0.000  1.0
  Au  Au15  1  0.500  0.000  0.250  1.0
  Se  Se16  1  0.500  0.000  0.965  1.0
  Se  Se17  1  0.965  0.500  0.000  1.0
  Se  Se18  1  0.500  0.000  0.535  1.0
  Se  Se19  1  0.000  0.535  0.500  1.0
  Se  Se20  1  0.965  0.965  0.965  1.0
  Se  Se21  1  0.535  0.500  0.000  1.0
  Se  Se22  1  0.535  0.535  0.535  1.0
  Se  Se23  1  0.000  0.965  0.500  1.0
[/CIF]
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