The material structure described by KAuCl4 crystallizes in the monoclinic Pc space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one Cl(3), one Cl(4), one Cl(5), one Cl(6), one Cl(8), two equivalent Cl(1), and two equivalent Cl(7) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one Cl(2), one Cl(3), one Cl(4), one Cl(5), one Cl(6), one Cl(7), and two equivalent Cl(8) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a square co-planar geometry to one Cl(1), one Cl(2), one Cl(3), and one Cl(4) atom. In the second Au site, Au(2) is bonded in a rectangular see-saw-like geometry to one Cl(5), one Cl(6), one Cl(7), and one Cl(8) atom. There are eight inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Au(1) atom. In the second Cl site, Cl(2) is bonded in a distorted water-like geometry to one K(2) and one Au(1) atom. In the third Cl site, Cl(3) is bonded in a distorted trigonal planar geometry to one K(1), one K(2), and one Au(1) atom. In the fourth Cl site, Cl(4) is bonded in a distorted trigonal planar geometry to one K(1), one K(2), and one Au(1) atom. In the fifth Cl site, Cl(5) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one K(2), and one Au(2) atom. In the sixth Cl site, Cl(6) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one K(2), and one Au(2) atom. In the seventh Cl site, Cl(7) is bonded to one K(2), two equivalent K(1), and one Au(2) atom to form a mixture of distorted corner and edge-sharing ClK3Au tetrahedra. In the eighth Cl site, Cl(8) is bonded to one K(1), two equivalent K(2), and one Au(2) atom to form a mixture of distorted corner and edge-sharing ClK3Au tetrahedra. is represented by the CIF file [CIF]
data_KAuCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.587
_cell_length_b   9.100
_cell_length_c   12.513
_cell_angle_alpha   83.435
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   745.171
_cell_formula_units_Z   4
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  0.699  0.229  0.313  1.0
  K  K1  1  0.301  0.229  0.813  1.0
  K  K2  1  0.200  0.799  0.181  1.0
  K  K3  1  0.800  0.799  0.681  1.0
  Au  Au4  1  0.249  0.512  0.494  1.0
  Au  Au5  1  0.751  0.512  0.994  1.0
  Au  Au6  1  0.247  0.013  0.499  1.0
  Au  Au7  1  0.753  0.013  0.999  1.0
  Cl  Cl8  1  0.500  0.348  0.563  1.0
  Cl  Cl9  1  0.500  0.348  0.063  1.0
  Cl  Cl10  1  0.998  0.675  0.424  1.0
  Cl  Cl11  1  0.002  0.675  0.924  1.0
  Cl  Cl12  1  0.101  0.507  0.662  1.0
  Cl  Cl13  1  0.899  0.507  0.162  1.0
  Cl  Cl14  1  0.397  0.517  0.325  1.0
  Cl  Cl15  1  0.603  0.517  0.825  1.0
  Cl  Cl16  1  0.461  0.892  0.951  1.0
  Cl  Cl17  1  0.539  0.892  0.451  1.0
  Cl  Cl18  1  0.045  0.133  0.046  1.0
  Cl  Cl19  1  0.955  0.133  0.546  1.0
  Cl  Cl20  1  0.803  0.104  0.819  1.0
  Cl  Cl21  1  0.197  0.104  0.319  1.0
  Cl  Cl22  1  0.702  0.922  0.178  1.0
  Cl  Cl23  1  0.298  0.922  0.678  1.0
[/CIF]
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The material structure described by KAuCl4 crystallizes in the monoclinic Pc space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one Cl(3), one Cl(4), one Cl(5), one Cl(6), one Cl(8), two equivalent Cl(1), and two equivalent Cl(7) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one Cl(2), one Cl(3), one Cl(4), one Cl(5), one Cl(6), one Cl(7), and two equivalent Cl(8) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a square co-planar geometry to one Cl(1), one Cl(2), one Cl(3), and one Cl(4) atom. In the second Au site, Au(2) is bonded in a rectangular see-saw-like geometry to one Cl(5), one Cl(6), one Cl(7), and one Cl(8) atom. There are eight inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Au(1) atom. In the second Cl site, Cl(2) is bonded in a distorted water-like geometry to one K(2) and one Au(1) atom. In the third Cl site, Cl(3) is bonded in a distorted trigonal planar geometry to one K(1), one K(2), and one Au(1) atom. In the fourth Cl site, Cl(4) is bonded in a distorted trigonal planar geometry to one K(1), one K(2), and one Au(1) atom. In the fifth Cl site, Cl(5) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one K(2), and one Au(2) atom. In the sixth Cl site, Cl(6) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one K(2), and one Au(2) atom. In the seventh Cl site, Cl(7) is bonded to one K(2), two equivalent K(1), and one Au(2) atom to form a mixture of distorted corner and edge-sharing ClK3Au tetrahedra. In the eighth Cl site, Cl(8) is bonded to one K(1), two equivalent K(2), and one Au(2) atom to form a mixture of distorted corner and edge-sharing ClK3Au tetrahedra. is represented by the CIF file [CIF]
data_KAuCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.587
_cell_length_b   9.100
_cell_length_c   12.513
_cell_angle_alpha   83.435
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   745.171
_cell_formula_units_Z   4
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  0.699  0.229  0.313  1.0
  K  K1  1  0.301  0.229  0.813  1.0
  K  K2  1  0.200  0.799  0.181  1.0
  K  K3  1  0.800  0.799  0.681  1.0
  Au  Au4  1  0.249  0.512  0.494  1.0
  Au  Au5  1  0.751  0.512  0.994  1.0
  Au  Au6  1  0.247  0.013  0.499  1.0
  Au  Au7  1  0.753  0.013  0.999  1.0
  Cl  Cl8  1  0.500  0.348  0.563  1.0
  Cl  Cl9  1  0.500  0.348  0.063  1.0
  Cl  Cl10  1  0.998  0.675  0.424  1.0
  Cl  Cl11  1  0.002  0.675  0.924  1.0
  Cl  Cl12  1  0.101  0.507  0.662  1.0
  Cl  Cl13  1  0.899  0.507  0.162  1.0
  Cl  Cl14  1  0.397  0.517  0.325  1.0
  Cl  Cl15  1  0.603  0.517  0.825  1.0
  Cl  Cl16  1  0.461  0.892  0.951  1.0
  Cl  Cl17  1  0.539  0.892  0.451  1.0
  Cl  Cl18  1  0.045  0.133  0.046  1.0
  Cl  Cl19  1  0.955  0.133  0.546  1.0
  Cl  Cl20  1  0.803  0.104  0.819  1.0
  Cl  Cl21  1  0.197  0.104  0.319  1.0
  Cl  Cl22  1  0.702  0.922  0.178  1.0
  Cl  Cl23  1  0.298  0.922  0.678  1.0
[/CIF]
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