The compound described by KAuPSe3 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 11-coordinate geometry to two equivalent Au(1), three equivalent Se(1), and six equivalent Se(2) atoms. Au(1) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Se(2) atoms. P(1) is bonded in a distorted tetrahedral geometry to one P(1), one Se(1), and two equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted see-saw-like geometry to three equivalent K(1) and one P(1) atom. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to three equivalent K(1), one Au(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KPAuSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.240
_cell_length_b   7.240
_cell_length_c   8.241
_cell_angle_alpha   69.069
_cell_angle_beta   69.069
_cell_angle_gamma   61.510
_symmetry_Int_Tables_number   1
_cell_volume   345.261
_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
  K  K0  1  0.298  0.298  0.745  1.0
  K  K1  1  0.702  0.702  0.255  1.0
  P  P2  1  0.976  0.976  0.650  1.0
  P  P3  1  0.024  0.024  0.350  1.0
  Au  Au4  1  0.743  0.257  0.000  1.0
  Au  Au5  1  0.257  0.743  0.000  1.0
  Se  Se6  1  0.786  0.786  0.798  1.0
  Se  Se7  1  0.822  0.323  0.675  1.0
  Se  Se8  1  0.323  0.822  0.675  1.0
  Se  Se9  1  0.677  0.178  0.325  1.0
  Se  Se10  1  0.178  0.677  0.325  1.0
  Se  Se11  1  0.214  0.214  0.202  1.0
[/CIF]
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The compound described by KAuPSe3 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 11-coordinate geometry to two equivalent Au(1), three equivalent Se(1), and six equivalent Se(2) atoms. Au(1) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Se(2) atoms. P(1) is bonded in a distorted tetrahedral geometry to one P(1), one Se(1), and two equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted see-saw-like geometry to three equivalent K(1) and one P(1) atom. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to three equivalent K(1), one Au(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KPAuSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.240
_cell_length_b   7.240
_cell_length_c   8.241
_cell_angle_alpha   69.069
_cell_angle_beta   69.069
_cell_angle_gamma   61.510
_symmetry_Int_Tables_number   1
_cell_volume   345.261
_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
  K  K0  1  0.298  0.298  0.745  1.0
  K  K1  1  0.702  0.702  0.255  1.0
  P  P2  1  0.976  0.976  0.650  1.0
  P  P3  1  0.024  0.024  0.350  1.0
  Au  Au4  1  0.743  0.257  0.000  1.0
  Au  Au5  1  0.257  0.743  0.000  1.0
  Se  Se6  1  0.786  0.786  0.798  1.0
  Se  Se7  1  0.822  0.323  0.675  1.0
  Se  Se8  1  0.323  0.822  0.675  1.0
  Se  Se9  1  0.677  0.178  0.325  1.0
  Se  Se10  1  0.178  0.677  0.325  1.0
  Se  Se11  1  0.214  0.214  0.202  1.0
[/CIF]
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