The material described by LiAu4Se4(O3Cl)4 crystallizes in the triclinic P1 space group. Li(1) is bonded to one Cl(1), one Cl(3), and two equivalent Cl(2) atoms to form distorted corner-sharing LiCl4 trigonal pyramids. 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 rectangular see-saw-like geometry to 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 trigonal non-coplanar geometry to one O(1), one O(3), and one O(9) atom. In the second Se site, Se(2) is bonded in a 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 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 bent 120 degrees geometry to 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 bent 120 degrees geometry to 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 bent 120 degrees geometry to 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 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 water-like geometry to one Li(1) and one Au(3) atom. In the second Cl site, Cl(2) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Au(1) atom. In the third Cl site, Cl(3) is bonded in a bent 120 degrees geometry to one Li(1) and 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   4.460
_cell_length_b   10.165
_cell_length_c   11.096
_cell_angle_alpha   83.004
_cell_angle_beta   89.987
_cell_angle_gamma   89.847
_symmetry_Int_Tables_number   1
_cell_volume   499.341
_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  0.139  0.419  0.471  1.0
  Au  Au1  1  0.994  0.582  0.187  1.0
  Au  Au2  1  0.998  1.000  1.000  1.0
  Au  Au3  1  0.999  0.420  0.811  1.0
  Au  Au4  1  0.003  0.006  0.497  1.0
  Se  Se5  1  0.722  0.872  0.265  1.0
  Se  Se6  1  0.198  0.713  0.907  1.0
  Se  Se7  1  0.795  0.287  0.089  1.0
  Se  Se8  1  0.283  0.131  0.736  1.0
  Cl  Cl9  1  0.320  0.498  0.651  1.0
  Cl  Cl10  1  0.702  0.499  0.362  1.0
  Cl  Cl11  1  0.298  0.196  0.446  1.0
  Cl  Cl12  1  0.726  0.815  0.545  1.0
  O  O13  1  0.655  0.952  0.120  1.0
  O  O14  1  0.690  0.355  0.943  1.0
  O  O15  1  0.028  0.769  0.245  1.0
  O  O16  1  0.083  0.176  0.064  1.0
  O  O17  1  0.061  0.395  0.136  1.0
  O  O18  1  0.912  0.824  0.933  1.0
  O  O19  1  0.304  0.646  0.052  1.0
  O  O20  1  0.975  0.235  0.752  1.0
  O  O21  1  0.931  0.002  0.317  1.0
  O  O22  1  0.928  0.604  0.863  1.0
  O  O23  1  0.342  0.048  0.880  1.0
  O  O24  1  0.069  0.006  0.679  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 to one Cl(1), one Cl(3), and two equivalent Cl(2) atoms to form distorted corner-sharing LiCl4 trigonal pyramids. 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 rectangular see-saw-like geometry to 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 trigonal non-coplanar geometry to one O(1), one O(3), and one O(9) atom. In the second Se site, Se(2) is bonded in a 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 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 bent 120 degrees geometry to 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 bent 120 degrees geometry to 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 bent 120 degrees geometry to 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 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 water-like geometry to one Li(1) and one Au(3) atom. In the second Cl site, Cl(2) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Au(1) atom. In the third Cl site, Cl(3) is bonded in a bent 120 degrees geometry to one Li(1) and 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   4.460
_cell_length_b   10.165
_cell_length_c   11.096
_cell_angle_alpha   83.004
_cell_angle_beta   89.987
_cell_angle_gamma   89.847
_symmetry_Int_Tables_number   1
_cell_volume   499.341
_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  0.139  0.419  0.471  1.0
  Au  Au1  1  0.994  0.582  0.187  1.0
  Au  Au2  1  0.998  1.000  1.000  1.0
  Au  Au3  1  0.999  0.420  0.811  1.0
  Au  Au4  1  0.003  0.006  0.497  1.0
  Se  Se5  1  0.722  0.872  0.265  1.0
  Se  Se6  1  0.198  0.713  0.907  1.0
  Se  Se7  1  0.795  0.287  0.089  1.0
  Se  Se8  1  0.283  0.131  0.736  1.0
  Cl  Cl9  1  0.320  0.498  0.651  1.0
  Cl  Cl10  1  0.702  0.499  0.362  1.0
  Cl  Cl11  1  0.298  0.196  0.446  1.0
  Cl  Cl12  1  0.726  0.815  0.545  1.0
  O  O13  1  0.655  0.952  0.120  1.0
  O  O14  1  0.690  0.355  0.943  1.0
  O  O15  1  0.028  0.769  0.245  1.0
  O  O16  1  0.083  0.176  0.064  1.0
  O  O17  1  0.061  0.395  0.136  1.0
  O  O18  1  0.912  0.824  0.933  1.0
  O  O19  1  0.304  0.646  0.052  1.0
  O  O20  1  0.975  0.235  0.752  1.0
  O  O21  1  0.931  0.002  0.317  1.0
  O  O22  1  0.928  0.604  0.863  1.0
  O  O23  1  0.342  0.048  0.880  1.0
  O  O24  1  0.069  0.006  0.679  1.0
[/CIF]
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