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 O(1), one O(6), and one O(7) atom. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted 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 rectangular see-saw-like 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 rectangular see-saw-like 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 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 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 distorted trigonal non-coplanar geometry to one Li(1), 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 distorted trigonal planar geometry to one Li(1), one Au(2), and one Se(2) atom. In the seventh O site, O(7) is bonded in a distorted 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 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 card [CIF]
data_LiAu4Se4(ClO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.785
_cell_length_b   10.096
_cell_length_c   10.914
_cell_angle_alpha   81.966
_cell_angle_beta   87.095
_cell_angle_gamma   87.203
_symmetry_Int_Tables_number   1
_cell_volume   520.925
_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  0.564  0.792  0.043  1.0
  Au  Au1  1  0.027  0.586  0.176  1.0
  Au  Au2  1  0.988  0.000  0.006  1.0
  Au  Au3  1  0.973  0.411  0.819  1.0
  Au  Au4  1  0.032  0.999  0.506  1.0
  Se  Se5  1  0.773  0.858  0.288  1.0
  Se  Se6  1  0.130  0.713  0.879  1.0
  Se  Se7  1  0.811  0.291  0.104  1.0
  Se  Se8  1  0.285  0.133  0.737  1.0
  Cl  Cl9  1  0.303  0.495  0.670  1.0
  Cl  Cl10  1  0.694  0.513  0.328  1.0
  Cl  Cl11  1  0.282  0.189  0.447  1.0
  Cl  Cl12  1  0.785  0.807  0.568  1.0
  O  O13  1  0.672  0.931  0.140  1.0
  O  O14  1  0.684  0.341  0.957  1.0
  O  O15  1  0.072  0.764  0.247  1.0
  O  O16  1  0.074  0.170  0.081  1.0
  O  O17  1  0.074  0.404  0.114  1.0
  O  O18  1  0.879  0.830  0.925  1.0
  O  O19  1  0.292  0.664  0.022  1.0
  O  O20  1  0.976  0.230  0.758  1.0
  O  O21  1  0.950  0.994  0.325  1.0
  O  O22  1  0.885  0.593  0.879  1.0
  O  O23  1  0.333  0.047  0.884  1.0
  O  O24  1  0.116  0.000  0.685  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 O(1), one O(6), and one O(7) atom. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted 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 rectangular see-saw-like 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 rectangular see-saw-like 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 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 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 distorted trigonal non-coplanar geometry to one Li(1), 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 distorted trigonal planar geometry to one Li(1), one Au(2), and one Se(2) atom. In the seventh O site, O(7) is bonded in a distorted 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 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 card [CIF]
data_LiAu4Se4(ClO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.785
_cell_length_b   10.096
_cell_length_c   10.914
_cell_angle_alpha   81.966
_cell_angle_beta   87.095
_cell_angle_gamma   87.203
_symmetry_Int_Tables_number   1
_cell_volume   520.925
_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  0.564  0.792  0.043  1.0
  Au  Au1  1  0.027  0.586  0.176  1.0
  Au  Au2  1  0.988  0.000  0.006  1.0
  Au  Au3  1  0.973  0.411  0.819  1.0
  Au  Au4  1  0.032  0.999  0.506  1.0
  Se  Se5  1  0.773  0.858  0.288  1.0
  Se  Se6  1  0.130  0.713  0.879  1.0
  Se  Se7  1  0.811  0.291  0.104  1.0
  Se  Se8  1  0.285  0.133  0.737  1.0
  Cl  Cl9  1  0.303  0.495  0.670  1.0
  Cl  Cl10  1  0.694  0.513  0.328  1.0
  Cl  Cl11  1  0.282  0.189  0.447  1.0
  Cl  Cl12  1  0.785  0.807  0.568  1.0
  O  O13  1  0.672  0.931  0.140  1.0
  O  O14  1  0.684  0.341  0.957  1.0
  O  O15  1  0.072  0.764  0.247  1.0
  O  O16  1  0.074  0.170  0.081  1.0
  O  O17  1  0.074  0.404  0.114  1.0
  O  O18  1  0.879  0.830  0.925  1.0
  O  O19  1  0.292  0.664  0.022  1.0
  O  O20  1  0.976  0.230  0.758  1.0
  O  O21  1  0.950  0.994  0.325  1.0
  O  O22  1  0.885  0.593  0.879  1.0
  O  O23  1  0.333  0.047  0.884  1.0
  O  O24  1  0.116  0.000  0.685  1.0
[/CIF]
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