The compound described by CsAu3Se2 crystallizes in the trigonal P-3m1 space group. Cs(1) is bonded in a 18-coordinate geometry to twelve equivalent Au(1) and six equivalent Se(1) atoms. Au(1) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Se(1) atoms. Se(1) is bonded to three equivalent Cs(1) and three equivalent Au(1) atoms to form a mixture of distorted corner and edge-sharing SeCs3Au3 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. is represented by the CIF card [CIF]
data_CsAu3Se2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.436
_cell_length_b   6.436
_cell_length_c   5.275
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   189.231
_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
  Cs  Cs0  1  0.000  0.000  0.500  1.0
  Au  Au1  1  0.000  0.500  0.000  1.0
  Au  Au2  1  0.500  0.000  0.000  1.0
  Au  Au3  1  0.500  0.500  0.000  1.0
  Se  Se4  1  0.333  0.667  0.698  1.0
  Se  Se5  1  0.667  0.333  0.302  1.0
[/CIF]
.
The compound described by CsAu3Se2 crystallizes in the trigonal P-3m1 space group. Cs(1) is bonded in a 18-coordinate geometry to twelve equivalent Au(1) and six equivalent Se(1) atoms. Au(1) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Se(1) atoms. Se(1) is bonded to three equivalent Cs(1) and three equivalent Au(1) atoms to form a mixture of distorted corner and edge-sharing SeCs3Au3 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. is represented by the CIF card [CIF]
data_CsAu3Se2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.436
_cell_length_b   6.436
_cell_length_c   5.275
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   189.231
_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
  Cs  Cs0  1  0.000  0.000  0.500  1.0
  Au  Au1  1  0.000  0.500  0.000  1.0
  Au  Au2  1  0.500  0.000  0.000  1.0
  Au  Au3  1  0.500  0.500  0.000  1.0
  Se  Se4  1  0.333  0.667  0.698  1.0
  Se  Se5  1  0.667  0.333  0.302  1.0
[/CIF]
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