The crystal structure described by AuCuO2Cl crystallizes in the triclinic P1 space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 4-coordinate geometry to one O(1), one O(4), one Cl(1), and one Cl(2) atom. In the second Au site, Au(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), one Cl(1), and one Cl(2) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Au(1), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Au(2), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Au(2), one Cu(1), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Au(1), one Cu(1), and one Cu(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a water-like geometry to one Au(1) and one Au(2) atom. In the second Cl site, Cl(2) is bonded in a water-like geometry to one Au(1) and one Au(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuAuClO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.358
_cell_length_b   5.240
_cell_length_c   7.767
_cell_angle_alpha   101.594
_cell_angle_beta   99.547
_cell_angle_gamma   88.285
_symmetry_Int_Tables_number   1
_cell_volume   171.341
_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
  Cu  Cu0  1  0.007  1.000  1.000  1.0
  Cu  Cu1  1  0.509  0.502  1.000  1.0
  Au  Au2  1  0.627  0.011  0.290  1.0
  Au  Au3  1  0.366  0.991  0.712  1.0
  Cl  Cl4  1  0.668  0.738  0.510  1.0
  Cl  Cl5  1  0.316  0.259  0.494  1.0
  O  O6  1  0.723  0.237  0.110  1.0
  O  O7  1  0.164  0.252  0.891  1.0
  O  O8  1  0.278  0.755  0.882  1.0
  O  O9  1  0.844  0.754  0.111  1.0
[/CIF]
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The crystal structure described by AuCuO2Cl crystallizes in the triclinic P1 space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 4-coordinate geometry to one O(1), one O(4), one Cl(1), and one Cl(2) atom. In the second Au site, Au(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), one Cl(1), and one Cl(2) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Au(1), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Au(2), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Au(2), one Cu(1), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Au(1), one Cu(1), and one Cu(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a water-like geometry to one Au(1) and one Au(2) atom. In the second Cl site, Cl(2) is bonded in a water-like geometry to one Au(1) and one Au(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuAuClO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.358
_cell_length_b   5.240
_cell_length_c   7.767
_cell_angle_alpha   101.594
_cell_angle_beta   99.547
_cell_angle_gamma   88.285
_symmetry_Int_Tables_number   1
_cell_volume   171.341
_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
  Cu  Cu0  1  0.007  1.000  1.000  1.0
  Cu  Cu1  1  0.509  0.502  1.000  1.0
  Au  Au2  1  0.627  0.011  0.290  1.0
  Au  Au3  1  0.366  0.991  0.712  1.0
  Cl  Cl4  1  0.668  0.738  0.510  1.0
  Cl  Cl5  1  0.316  0.259  0.494  1.0
  O  O6  1  0.723  0.237  0.110  1.0
  O  O7  1  0.164  0.252  0.891  1.0
  O  O8  1  0.278  0.755  0.882  1.0
  O  O9  1  0.844  0.754  0.111  1.0
[/CIF]
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