The compound described by CsAuSe3 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 11-coordinate geometry to three equivalent Au(1), two equivalent Se(1), two equivalent Se(2), and four equivalent Se(3) atoms. Au(1) is bonded in a 7-coordinate geometry to three equivalent Cs(1), two equivalent Se(1), and two equivalent Se(2) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to two equivalent Cs(1), two equivalent Au(1), and one Se(3) atom. In the second Se site, Se(2) is bonded in a 4-coordinate geometry to two equivalent Cs(1), two equivalent Au(1), and one Se(3) atom. In the third Se site, Se(3) is bonded in a 6-coordinate geometry to four equivalent Cs(1), one Se(1), and one Se(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsAuSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.592
_cell_length_b   7.695
_cell_length_c   7.733
_cell_angle_alpha   81.022
_cell_angle_beta   68.634
_cell_angle_gamma   64.644
_symmetry_Int_Tables_number   1
_cell_volume   330.108
_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
  Cs  Cs0  1  0.850  0.300  0.250  1.0
  Cs  Cs1  1  0.150  0.700  0.750  1.0
  Au  Au2  1  0.424  0.153  0.750  1.0
  Au  Au3  1  0.576  0.847  0.250  1.0
  Se  Se4  1  0.807  0.826  0.441  1.0
  Se  Se5  1  0.632  0.174  0.941  1.0
  Se  Se6  1  0.193  0.174  0.559  1.0
  Se  Se7  1  0.368  0.826  0.059  1.0
  Se  Se8  1  0.192  0.616  0.250  1.0
  Se  Se9  1  0.808  0.384  0.750  1.0
[/CIF]
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The compound described by CsAuSe3 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 11-coordinate geometry to three equivalent Au(1), two equivalent Se(1), two equivalent Se(2), and four equivalent Se(3) atoms. Au(1) is bonded in a 7-coordinate geometry to three equivalent Cs(1), two equivalent Se(1), and two equivalent Se(2) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to two equivalent Cs(1), two equivalent Au(1), and one Se(3) atom. In the second Se site, Se(2) is bonded in a 4-coordinate geometry to two equivalent Cs(1), two equivalent Au(1), and one Se(3) atom. In the third Se site, Se(3) is bonded in a 6-coordinate geometry to four equivalent Cs(1), one Se(1), and one Se(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsAuSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.592
_cell_length_b   7.695
_cell_length_c   7.733
_cell_angle_alpha   81.022
_cell_angle_beta   68.634
_cell_angle_gamma   64.644
_symmetry_Int_Tables_number   1
_cell_volume   330.108
_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
  Cs  Cs0  1  0.850  0.300  0.250  1.0
  Cs  Cs1  1  0.150  0.700  0.750  1.0
  Au  Au2  1  0.424  0.153  0.750  1.0
  Au  Au3  1  0.576  0.847  0.250  1.0
  Se  Se4  1  0.807  0.826  0.441  1.0
  Se  Se5  1  0.632  0.174  0.941  1.0
  Se  Se6  1  0.193  0.174  0.559  1.0
  Se  Se7  1  0.368  0.826  0.059  1.0
  Se  Se8  1  0.192  0.616  0.250  1.0
  Se  Se9  1  0.808  0.384  0.750  1.0
[/CIF]
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