The compound described by KAu(O3I)4 crystallizes in the monoclinic C2 space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Au(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one I(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one K(1) and one I(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Au(1) and one I(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one I(1), and one I(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one K(1) and one I(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one K(1), one Au(1), and one I(2) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(4), one O(5), and one O(6) atom. is represented by the CIF file [CIF]
data_KAu(IO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.687
_cell_length_b   7.432
_cell_length_c   8.515
_cell_angle_alpha   107.495
_cell_angle_beta   90.000
_cell_angle_gamma   112.497
_symmetry_Int_Tables_number   1
_cell_volume   314.421
_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  0.012  0.000  0.000  1.0
  Au  Au1  1  0.203  0.000  0.500  1.0
  I  I2  1  0.358  0.700  0.659  1.0
  I  I3  1  0.659  0.300  0.341  1.0
  I  I4  1  0.271  0.638  0.166  1.0
  I  I5  1  0.633  0.362  0.834  1.0
  O  O6  1  0.514  0.700  0.472  1.0
  O  O7  1  0.814  0.300  0.528  1.0
  O  O8  1  0.559  0.952  0.804  1.0
  O  O9  1  0.607  0.048  0.196  1.0
  O  O10  1  0.084  0.766  0.597  1.0
  O  O11  1  0.317  0.234  0.403  1.0
  O  O12  1  0.058  0.396  0.191  1.0
  O  O13  1  0.662  0.604  0.809  1.0
  O  O14  1  0.127  0.605  0.961  1.0
  O  O15  1  0.522  0.395  0.039  1.0
  O  O16  1  0.080  0.795  0.270  1.0
  O  O17  1  0.285  0.205  0.730  1.0
[/CIF]
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The compound described by KAu(O3I)4 crystallizes in the monoclinic C2 space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Au(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one I(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one K(1) and one I(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Au(1) and one I(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one I(1), and one I(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one K(1) and one I(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one K(1), one Au(1), and one I(2) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(4), one O(5), and one O(6) atom. is represented by the CIF file [CIF]
data_KAu(IO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.687
_cell_length_b   7.432
_cell_length_c   8.515
_cell_angle_alpha   107.495
_cell_angle_beta   90.000
_cell_angle_gamma   112.497
_symmetry_Int_Tables_number   1
_cell_volume   314.421
_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  0.012  0.000  0.000  1.0
  Au  Au1  1  0.203  0.000  0.500  1.0
  I  I2  1  0.358  0.700  0.659  1.0
  I  I3  1  0.659  0.300  0.341  1.0
  I  I4  1  0.271  0.638  0.166  1.0
  I  I5  1  0.633  0.362  0.834  1.0
  O  O6  1  0.514  0.700  0.472  1.0
  O  O7  1  0.814  0.300  0.528  1.0
  O  O8  1  0.559  0.952  0.804  1.0
  O  O9  1  0.607  0.048  0.196  1.0
  O  O10  1  0.084  0.766  0.597  1.0
  O  O11  1  0.317  0.234  0.403  1.0
  O  O12  1  0.058  0.396  0.191  1.0
  O  O13  1  0.662  0.604  0.809  1.0
  O  O14  1  0.127  0.605  0.961  1.0
  O  O15  1  0.522  0.395  0.039  1.0
  O  O16  1  0.080  0.795  0.270  1.0
  O  O17  1  0.285  0.205  0.730  1.0
[/CIF]
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