The material described by K3Au3I8 crystallizes in the monoclinic C2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one I(1), one I(2), two equivalent I(3), and three equivalent I(4) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent I(1), two equivalent I(2), and two equivalent I(4) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a square co-planar geometry to two equivalent I(3) and two equivalent I(4) atoms. In the second Au site, Au(2) is bonded in a distorted linear geometry to one I(1), one I(2), and one I(4) atom. There are four inequivalent I sites. In the first I site, I(3) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Au(1) atom. In the second I site, I(4) is bonded to one K(2), three equivalent K(1), one Au(1), and one Au(2) atom to form a mixture of distorted edge and corner-sharing IK4Au2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the third I site, I(1) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one K(2), and one Au(2) atom. In the fourth I site, I(2) is bonded in a trigonal non-coplanar geometry to one K(1), one K(2), and one Au(2) atom. is represented by the CIF card [CIF]
data_K3Au3I8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.914
_cell_length_b   7.914
_cell_length_c   20.681
_cell_angle_alpha   84.382
_cell_angle_beta   84.382
_cell_angle_gamma   64.526
_symmetry_Int_Tables_number   1
_cell_volume   1161.524
_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  0.679  0.686  0.415  1.0
  K  K1  1  0.321  0.314  0.585  1.0
  K  K2  1  0.314  0.321  0.085  1.0
  K  K3  1  0.686  0.679  0.915  1.0
  K  K4  1  0.982  0.018  0.250  1.0
  K  K5  1  0.018  0.982  0.750  1.0
  Au  Au6  1  0.000  0.000  0.000  1.0
  Au  Au7  1  0.000  0.000  0.500  1.0
  Au  Au8  1  0.617  0.617  0.189  1.0
  Au  Au9  1  0.383  0.383  0.811  1.0
  Au  Au10  1  0.383  0.383  0.311  1.0
  Au  Au11  1  0.617  0.617  0.689  1.0
  I  I12  1  0.314  0.757  0.125  1.0
  I  I13  1  0.686  0.243  0.875  1.0
  I  I14  1  0.243  0.686  0.375  1.0
  I  I15  1  0.757  0.314  0.625  1.0
  I  I16  1  0.506  0.090  0.243  1.0
  I  I17  1  0.494  0.910  0.757  1.0
  I  I18  1  0.910  0.494  0.257  1.0
  I  I19  1  0.090  0.506  0.743  1.0
  I  I20  1  0.780  0.849  0.063  1.0
  I  I21  1  0.220  0.151  0.937  1.0
  I  I22  1  0.151  0.220  0.437  1.0
  I  I23  1  0.849  0.780  0.563  1.0
  I  I24  1  0.700  0.166  0.426  1.0
  I  I25  1  0.300  0.834  0.574  1.0
  I  I26  1  0.834  0.300  0.074  1.0
  I  I27  1  0.166  0.700  0.926  1.0
[/CIF]
.
The material described by K3Au3I8 crystallizes in the monoclinic C2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one I(1), one I(2), two equivalent I(3), and three equivalent I(4) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent I(1), two equivalent I(2), and two equivalent I(4) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a square co-planar geometry to two equivalent I(3) and two equivalent I(4) atoms. In the second Au site, Au(2) is bonded in a distorted linear geometry to one I(1), one I(2), and one I(4) atom. There are four inequivalent I sites. In the first I site, I(3) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Au(1) atom. In the second I site, I(4) is bonded to one K(2), three equivalent K(1), one Au(1), and one Au(2) atom to form a mixture of distorted edge and corner-sharing IK4Au2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the third I site, I(1) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one K(2), and one Au(2) atom. In the fourth I site, I(2) is bonded in a trigonal non-coplanar geometry to one K(1), one K(2), and one Au(2) atom. is represented by the CIF card [CIF]
data_K3Au3I8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.914
_cell_length_b   7.914
_cell_length_c   20.681
_cell_angle_alpha   84.382
_cell_angle_beta   84.382
_cell_angle_gamma   64.526
_symmetry_Int_Tables_number   1
_cell_volume   1161.524
_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  0.679  0.686  0.415  1.0
  K  K1  1  0.321  0.314  0.585  1.0
  K  K2  1  0.314  0.321  0.085  1.0
  K  K3  1  0.686  0.679  0.915  1.0
  K  K4  1  0.982  0.018  0.250  1.0
  K  K5  1  0.018  0.982  0.750  1.0
  Au  Au6  1  0.000  0.000  0.000  1.0
  Au  Au7  1  0.000  0.000  0.500  1.0
  Au  Au8  1  0.617  0.617  0.189  1.0
  Au  Au9  1  0.383  0.383  0.811  1.0
  Au  Au10  1  0.383  0.383  0.311  1.0
  Au  Au11  1  0.617  0.617  0.689  1.0
  I  I12  1  0.314  0.757  0.125  1.0
  I  I13  1  0.686  0.243  0.875  1.0
  I  I14  1  0.243  0.686  0.375  1.0
  I  I15  1  0.757  0.314  0.625  1.0
  I  I16  1  0.506  0.090  0.243  1.0
  I  I17  1  0.494  0.910  0.757  1.0
  I  I18  1  0.910  0.494  0.257  1.0
  I  I19  1  0.090  0.506  0.743  1.0
  I  I20  1  0.780  0.849  0.063  1.0
  I  I21  1  0.220  0.151  0.937  1.0
  I  I22  1  0.151  0.220  0.437  1.0
  I  I23  1  0.849  0.780  0.563  1.0
  I  I24  1  0.700  0.166  0.426  1.0
  I  I25  1  0.300  0.834  0.574  1.0
  I  I26  1  0.834  0.300  0.074  1.0
  I  I27  1  0.166  0.700  0.926  1.0
[/CIF]
.