The material described by K3Au3Sb2 crystallizes in the trigonal R-3m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to six equivalent Au(1) and six equivalent Sb(1) atoms to form a mixture of distorted edge and corner-sharing KSb6Au6 cuboctahedra. In the second K site, K(2) is bonded in a 10-coordinate geometry to six equivalent Au(1) and four equivalent Sb(1) atoms. Au(1) is bonded in a 2-coordinate geometry to two equivalent K(1), four equivalent K(2), and two equivalent Sb(1) atoms. Sb(1) is bonded in a 10-coordinate geometry to three equivalent K(1), four equivalent K(2), and three equivalent Au(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3Sb2Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.060
_cell_length_b   8.060
_cell_length_c   8.060
_cell_angle_alpha   45.723
_cell_angle_beta   45.723
_cell_angle_gamma   45.723
_symmetry_Int_Tables_number   1
_cell_volume   244.639
_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
  K  K0  1  0.500  0.500  0.500  1.0
  K  K1  1  0.920  0.920  0.920  1.0
  K  K2  1  0.080  0.080  0.080  1.0
  Sb  Sb3  1  0.242  0.242  0.242  1.0
  Sb  Sb4  1  0.758  0.758  0.758  1.0
  Au  Au5  1  0.500  0.000  0.500  1.0
  Au  Au6  1  0.000  0.500  0.500  1.0
  Au  Au7  1  0.500  0.500  0.000  1.0
[/CIF]
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The material described by K3Au3Sb2 crystallizes in the trigonal R-3m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to six equivalent Au(1) and six equivalent Sb(1) atoms to form a mixture of distorted edge and corner-sharing KSb6Au6 cuboctahedra. In the second K site, K(2) is bonded in a 10-coordinate geometry to six equivalent Au(1) and four equivalent Sb(1) atoms. Au(1) is bonded in a 2-coordinate geometry to two equivalent K(1), four equivalent K(2), and two equivalent Sb(1) atoms. Sb(1) is bonded in a 10-coordinate geometry to three equivalent K(1), four equivalent K(2), and three equivalent Au(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3Sb2Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.060
_cell_length_b   8.060
_cell_length_c   8.060
_cell_angle_alpha   45.723
_cell_angle_beta   45.723
_cell_angle_gamma   45.723
_symmetry_Int_Tables_number   1
_cell_volume   244.639
_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
  K  K0  1  0.500  0.500  0.500  1.0
  K  K1  1  0.920  0.920  0.920  1.0
  K  K2  1  0.080  0.080  0.080  1.0
  Sb  Sb3  1  0.242  0.242  0.242  1.0
  Sb  Sb4  1  0.758  0.758  0.758  1.0
  Au  Au5  1  0.500  0.000  0.500  1.0
  Au  Au6  1  0.000  0.500  0.500  1.0
  Au  Au7  1  0.500  0.500  0.000  1.0
[/CIF]
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