The compound described by K3AuP2Se8 crystallizes in the monoclinic Cc space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one Au(1), one Se(1), one Se(3), one Se(4), one Se(6), one Se(7), and two equivalent Se(8) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one Se(1), one Se(2), one Se(4), one Se(7), one Se(8), and two equivalent Se(3) atoms. In the third K site, K(3) is bonded in a 10-coordinate geometry to one Au(1), one Se(1), one Se(3), one Se(7), two equivalent Se(2), two equivalent Se(4), and two equivalent Se(5) atoms. Au(1) is bonded in a 4-coordinate geometry to one K(1), one K(3), one Se(2), and one Se(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one Se(2), one Se(3), one Se(4), and one Se(5) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one Se(1), one Se(6), one Se(7), and one Se(8) atom. There are eight inequivalent Se sites. In the first Se site, Se(5) is bonded in a 1-coordinate geometry to two equivalent K(3), one P(1), and one Se(6) atom. In the second Se site, Se(6) is bonded in a 3-coordinate geometry to one K(1), one P(2), and one Se(5) atom. In the third Se site, Se(7) is bonded in a 4-coordinate geometry to one K(1), one K(2), one K(3), and one P(2) atom. In the fourth Se site, Se(8) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(1), one Au(1), and one P(2) atom. In the fifth Se site, Se(1) is bonded in a 4-coordinate geometry to one K(1), one K(2), one K(3), and one P(2) atom. In the sixth Se site, Se(2) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(3), one Au(1), and one P(1) atom. In the seventh Se site, Se(3) is bonded in a 5-coordinate geometry to one K(1), one K(3), two equivalent K(2), and one P(1) atom. In the eighth Se site, Se(4) is bonded in a 4-coordinate geometry to one K(1), one K(2), two equivalent K(3), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3P2AuSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.243
_cell_length_b   7.243
_cell_length_c   18.823
_cell_angle_alpha   87.166
_cell_angle_beta   87.166
_cell_angle_gamma   120.729
_symmetry_Int_Tables_number   1
_cell_volume   844.556
_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  0.496  0.361  0.106  1.0
  K  K1  1  0.361  0.496  0.606  1.0
  K  K2  1  0.893  0.684  0.754  1.0
  K  K3  1  0.684  0.893  0.254  1.0
  K  K4  1  0.580  0.030  0.898  1.0
  K  K5  1  0.030  0.580  0.398  1.0
  P  P6  1  0.305  0.429  0.878  1.0
  P  P7  1  0.429  0.305  0.378  1.0
  P  P8  1  0.217  0.683  0.124  1.0
  P  P9  1  0.683  0.217  0.624  1.0
  Au  Au10  1  0.050  0.952  0.999  1.0
  Au  Au11  1  0.952  0.050  0.499  1.0
  Se  Se12  1  0.498  0.178  0.722  1.0
  Se  Se13  1  0.178  0.498  0.222  1.0
  Se  Se14  1  0.083  0.071  0.874  1.0
  Se  Se15  1  0.071  0.083  0.374  1.0
  Se  Se16  1  0.340  0.621  0.781  1.0
  Se  Se17  1  0.621  0.340  0.281  1.0
  Se  Se18  1  0.601  0.509  0.923  1.0
  Se  Se19  1  0.509  0.601  0.423  1.0
  Se  Se20  1  0.105  0.542  0.940  1.0
  Se  Se21  1  0.542  0.105  0.440  1.0
  Se  Se22  1  0.052  0.390  0.058  1.0
  Se  Se23  1  0.390  0.052  0.558  1.0
  Se  Se24  1  0.544  0.914  0.083  1.0
  Se  Se25  1  0.914  0.544  0.583  1.0
  Se  Se26  1  0.003  0.825  0.124  1.0
  Se  Se27  1  0.825  0.003  0.624  1.0
[/CIF]
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The compound described by K3AuP2Se8 crystallizes in the monoclinic Cc space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one Au(1), one Se(1), one Se(3), one Se(4), one Se(6), one Se(7), and two equivalent Se(8) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one Se(1), one Se(2), one Se(4), one Se(7), one Se(8), and two equivalent Se(3) atoms. In the third K site, K(3) is bonded in a 10-coordinate geometry to one Au(1), one Se(1), one Se(3), one Se(7), two equivalent Se(2), two equivalent Se(4), and two equivalent Se(5) atoms. Au(1) is bonded in a 4-coordinate geometry to one K(1), one K(3), one Se(2), and one Se(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one Se(2), one Se(3), one Se(4), and one Se(5) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one Se(1), one Se(6), one Se(7), and one Se(8) atom. There are eight inequivalent Se sites. In the first Se site, Se(5) is bonded in a 1-coordinate geometry to two equivalent K(3), one P(1), and one Se(6) atom. In the second Se site, Se(6) is bonded in a 3-coordinate geometry to one K(1), one P(2), and one Se(5) atom. In the third Se site, Se(7) is bonded in a 4-coordinate geometry to one K(1), one K(2), one K(3), and one P(2) atom. In the fourth Se site, Se(8) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(1), one Au(1), and one P(2) atom. In the fifth Se site, Se(1) is bonded in a 4-coordinate geometry to one K(1), one K(2), one K(3), and one P(2) atom. In the sixth Se site, Se(2) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(3), one Au(1), and one P(1) atom. In the seventh Se site, Se(3) is bonded in a 5-coordinate geometry to one K(1), one K(3), two equivalent K(2), and one P(1) atom. In the eighth Se site, Se(4) is bonded in a 4-coordinate geometry to one K(1), one K(2), two equivalent K(3), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3P2AuSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.243
_cell_length_b   7.243
_cell_length_c   18.823
_cell_angle_alpha   87.166
_cell_angle_beta   87.166
_cell_angle_gamma   120.729
_symmetry_Int_Tables_number   1
_cell_volume   844.556
_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  0.496  0.361  0.106  1.0
  K  K1  1  0.361  0.496  0.606  1.0
  K  K2  1  0.893  0.684  0.754  1.0
  K  K3  1  0.684  0.893  0.254  1.0
  K  K4  1  0.580  0.030  0.898  1.0
  K  K5  1  0.030  0.580  0.398  1.0
  P  P6  1  0.305  0.429  0.878  1.0
  P  P7  1  0.429  0.305  0.378  1.0
  P  P8  1  0.217  0.683  0.124  1.0
  P  P9  1  0.683  0.217  0.624  1.0
  Au  Au10  1  0.050  0.952  0.999  1.0
  Au  Au11  1  0.952  0.050  0.499  1.0
  Se  Se12  1  0.498  0.178  0.722  1.0
  Se  Se13  1  0.178  0.498  0.222  1.0
  Se  Se14  1  0.083  0.071  0.874  1.0
  Se  Se15  1  0.071  0.083  0.374  1.0
  Se  Se16  1  0.340  0.621  0.781  1.0
  Se  Se17  1  0.621  0.340  0.281  1.0
  Se  Se18  1  0.601  0.509  0.923  1.0
  Se  Se19  1  0.509  0.601  0.423  1.0
  Se  Se20  1  0.105  0.542  0.940  1.0
  Se  Se21  1  0.542  0.105  0.440  1.0
  Se  Se22  1  0.052  0.390  0.058  1.0
  Se  Se23  1  0.390  0.052  0.558  1.0
  Se  Se24  1  0.544  0.914  0.083  1.0
  Se  Se25  1  0.914  0.544  0.583  1.0
  Se  Se26  1  0.003  0.825  0.124  1.0
  Se  Se27  1  0.825  0.003  0.624  1.0
[/CIF]
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