The material described by LiAu4Se4(O3Cl)4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 3-coordinate geometry to one Au(3), one O(2), one O(5), and one O(7) atom. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a rectangular see-saw-like geometry to one O(3), one O(5), one O(7), and one Cl(2) atom. In the second Au site, Au(2) is bonded in a square co-planar geometry to one O(1), one O(11), one O(4), and one O(6) atom. In the third Au site, Au(3) is bonded in a 5-coordinate geometry to one Li(1), one O(10), one O(2), one O(8), and one Cl(1) atom. In the fourth Au site, Au(4) is bonded in a square co-planar geometry to one O(12), one O(9), one Cl(3), and one Cl(4) atom. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted T-shaped geometry to one O(1), one O(3), and one O(9) atom. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(10), one O(6), and one O(7) atom. In the third Se site, Se(3) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(4), and one O(5) atom. In the fourth Se site, Se(4) is bonded in a distorted trigonal non-coplanar geometry to one O(11), one O(12), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Au(2) and one Se(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Li(1), one Au(3), and one Se(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Au(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Au(2) and one Se(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Au(1), and one Se(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Au(2) and one Se(2) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Li(1), one Au(1), and one Se(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Au(3) and one Se(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Au(4) and one Se(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Au(3) and one Se(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Au(2) and one Se(4) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Au(4) and one Se(4) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Au(3) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Au(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Au(4) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Au(4) atom. is represented by the CIF file [CIF]
data_LiAu4Se4(ClO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.741
_cell_length_b   10.116
_cell_length_c   10.921
_cell_angle_alpha   82.322
_cell_angle_beta   87.184
_cell_angle_gamma   91.914
_symmetry_Int_Tables_number   1
_cell_volume   518.026
_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
  Li  Li0  1  0.431  0.474  0.008  1.0
  Au  Au1  1  0.007  0.592  0.176  1.0
  Au  Au2  1  0.000  0.999  0.998  1.0
  Au  Au3  1  0.977  0.408  0.823  1.0
  Au  Au4  1  0.997  0.002  0.497  1.0
  Se  Se5  1  0.724  0.869  0.267  1.0
  Se  Se6  1  0.141  0.720  0.884  1.0
  Se  Se7  1  0.854  0.274  0.115  1.0
  Se  Se8  1  0.267  0.134  0.729  1.0
  Cl  Cl9  1  0.332  0.489  0.676  1.0
  Cl  Cl10  1  0.656  0.511  0.324  1.0
  Cl  Cl11  1  0.268  0.197  0.442  1.0
  Cl  Cl12  1  0.723  0.808  0.552  1.0
  O  O13  1  0.661  0.958  0.124  1.0
  O  O14  1  0.695  0.337  0.978  1.0
  O  O15  1  0.020  0.779  0.230  1.0
  O  O16  1  0.111  0.177  0.061  1.0
  O  O17  1  0.102  0.404  0.127  1.0
  O  O18  1  0.888  0.822  0.936  1.0
  O  O19  1  0.295  0.655  0.023  1.0
  O  O20  1  0.968  0.221  0.768  1.0
  O  O21  1  0.921  0.001  0.317  1.0
  O  O22  1  0.885  0.594  0.872  1.0
  O  O23  1  0.336  0.044  0.871  1.0
  O  O24  1  0.075  0.001  0.678  1.0
[/CIF]
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The material described by LiAu4Se4(O3Cl)4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 3-coordinate geometry to one Au(3), one O(2), one O(5), and one O(7) atom. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a rectangular see-saw-like geometry to one O(3), one O(5), one O(7), and one Cl(2) atom. In the second Au site, Au(2) is bonded in a square co-planar geometry to one O(1), one O(11), one O(4), and one O(6) atom. In the third Au site, Au(3) is bonded in a 5-coordinate geometry to one Li(1), one O(10), one O(2), one O(8), and one Cl(1) atom. In the fourth Au site, Au(4) is bonded in a square co-planar geometry to one O(12), one O(9), one Cl(3), and one Cl(4) atom. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted T-shaped geometry to one O(1), one O(3), and one O(9) atom. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(10), one O(6), and one O(7) atom. In the third Se site, Se(3) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(4), and one O(5) atom. In the fourth Se site, Se(4) is bonded in a distorted trigonal non-coplanar geometry to one O(11), one O(12), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Au(2) and one Se(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Li(1), one Au(3), and one Se(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Au(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Au(2) and one Se(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Au(1), and one Se(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Au(2) and one Se(2) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Li(1), one Au(1), and one Se(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Au(3) and one Se(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Au(4) and one Se(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Au(3) and one Se(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Au(2) and one Se(4) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Au(4) and one Se(4) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Au(3) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Au(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Au(4) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Au(4) atom. is represented by the CIF file [CIF]
data_LiAu4Se4(ClO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.741
_cell_length_b   10.116
_cell_length_c   10.921
_cell_angle_alpha   82.322
_cell_angle_beta   87.184
_cell_angle_gamma   91.914
_symmetry_Int_Tables_number   1
_cell_volume   518.026
_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
  Li  Li0  1  0.431  0.474  0.008  1.0
  Au  Au1  1  0.007  0.592  0.176  1.0
  Au  Au2  1  0.000  0.999  0.998  1.0
  Au  Au3  1  0.977  0.408  0.823  1.0
  Au  Au4  1  0.997  0.002  0.497  1.0
  Se  Se5  1  0.724  0.869  0.267  1.0
  Se  Se6  1  0.141  0.720  0.884  1.0
  Se  Se7  1  0.854  0.274  0.115  1.0
  Se  Se8  1  0.267  0.134  0.729  1.0
  Cl  Cl9  1  0.332  0.489  0.676  1.0
  Cl  Cl10  1  0.656  0.511  0.324  1.0
  Cl  Cl11  1  0.268  0.197  0.442  1.0
  Cl  Cl12  1  0.723  0.808  0.552  1.0
  O  O13  1  0.661  0.958  0.124  1.0
  O  O14  1  0.695  0.337  0.978  1.0
  O  O15  1  0.020  0.779  0.230  1.0
  O  O16  1  0.111  0.177  0.061  1.0
  O  O17  1  0.102  0.404  0.127  1.0
  O  O18  1  0.888  0.822  0.936  1.0
  O  O19  1  0.295  0.655  0.023  1.0
  O  O20  1  0.968  0.221  0.768  1.0
  O  O21  1  0.921  0.001  0.317  1.0
  O  O22  1  0.885  0.594  0.872  1.0
  O  O23  1  0.336  0.044  0.871  1.0
  O  O24  1  0.075  0.001  0.678  1.0
[/CIF]
.