The material described by LiAuC4H12(SO3)4 crystallizes in the tetragonal I-4 space group. Li(1) is bonded in a tetrahedral geometry to four equivalent O(3) atoms. Au(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(1) atoms. C(1) is bonded in a trigonal non-coplanar geometry to one H(1), one H(2), one H(3), and one S(1) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. S(1) is bonded in a distorted trigonal non-coplanar geometry to one C(1), one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Au(1) and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiH12AuC4(SO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.402
_cell_length_b   8.402
_cell_length_c   8.402
_cell_angle_alpha   109.827
_cell_angle_beta   109.827
_cell_angle_gamma   108.762
_symmetry_Int_Tables_number   1
_cell_volume   456.574
_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  0.750  0.250  0.500  1.0
  H  H1  1  0.894  0.778  0.311  1.0
  H  H2  1  0.467  0.583  0.689  1.0
  H  H3  1  0.222  0.533  0.116  1.0
  H  H4  1  0.417  0.106  0.884  1.0
  H  H5  1  0.950  0.697  0.486  1.0
  H  H6  1  0.211  0.464  0.514  1.0
  H  H7  1  0.303  0.789  0.254  1.0
  H  H8  1  0.536  0.050  0.746  1.0
  H  H9  1  0.702  0.628  0.332  1.0
  H  H10  1  0.296  0.370  0.668  1.0
  H  H11  1  0.372  0.704  0.074  1.0
  H  H12  1  0.630  0.298  0.926  1.0
  Au  Au13  1  0.000  0.000  0.000  1.0
  C  C14  1  0.854  0.741  0.410  1.0
  C  C15  1  0.331  0.444  0.590  1.0
  C  C16  1  0.259  0.669  0.113  1.0
  C  C17  1  0.556  0.146  0.887  1.0
  S  S18  1  0.886  0.954  0.589  1.0
  S  S19  1  0.365  0.298  0.411  1.0
  S  S20  1  0.046  0.635  0.932  1.0
  S  S21  1  0.702  0.114  0.068  1.0
  O  O22  1  0.810  0.881  0.711  1.0
  O  O23  1  0.171  0.100  0.289  1.0
  O  O24  1  0.119  0.829  0.929  1.0
  O  O25  1  0.900  0.190  0.071  1.0
  O  O26  1  0.091  0.098  0.708  1.0
  O  O27  1  0.390  0.383  0.292  1.0
  O  O28  1  0.902  0.610  0.993  1.0
  O  O29  1  0.617  0.909  0.007  1.0
  O  O30  1  0.752  0.010  0.491  1.0
  O  O31  1  0.518  0.261  0.509  1.0
  O  O32  1  0.990  0.482  0.743  1.0
  O  O33  1  0.739  0.248  0.257  1.0
[/CIF]
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The material described by LiAuC4H12(SO3)4 crystallizes in the tetragonal I-4 space group. Li(1) is bonded in a tetrahedral geometry to four equivalent O(3) atoms. Au(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(1) atoms. C(1) is bonded in a trigonal non-coplanar geometry to one H(1), one H(2), one H(3), and one S(1) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. S(1) is bonded in a distorted trigonal non-coplanar geometry to one C(1), one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Au(1) and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiH12AuC4(SO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.402
_cell_length_b   8.402
_cell_length_c   8.402
_cell_angle_alpha   109.827
_cell_angle_beta   109.827
_cell_angle_gamma   108.762
_symmetry_Int_Tables_number   1
_cell_volume   456.574
_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  0.750  0.250  0.500  1.0
  H  H1  1  0.894  0.778  0.311  1.0
  H  H2  1  0.467  0.583  0.689  1.0
  H  H3  1  0.222  0.533  0.116  1.0
  H  H4  1  0.417  0.106  0.884  1.0
  H  H5  1  0.950  0.697  0.486  1.0
  H  H6  1  0.211  0.464  0.514  1.0
  H  H7  1  0.303  0.789  0.254  1.0
  H  H8  1  0.536  0.050  0.746  1.0
  H  H9  1  0.702  0.628  0.332  1.0
  H  H10  1  0.296  0.370  0.668  1.0
  H  H11  1  0.372  0.704  0.074  1.0
  H  H12  1  0.630  0.298  0.926  1.0
  Au  Au13  1  0.000  0.000  0.000  1.0
  C  C14  1  0.854  0.741  0.410  1.0
  C  C15  1  0.331  0.444  0.590  1.0
  C  C16  1  0.259  0.669  0.113  1.0
  C  C17  1  0.556  0.146  0.887  1.0
  S  S18  1  0.886  0.954  0.589  1.0
  S  S19  1  0.365  0.298  0.411  1.0
  S  S20  1  0.046  0.635  0.932  1.0
  S  S21  1  0.702  0.114  0.068  1.0
  O  O22  1  0.810  0.881  0.711  1.0
  O  O23  1  0.171  0.100  0.289  1.0
  O  O24  1  0.119  0.829  0.929  1.0
  O  O25  1  0.900  0.190  0.071  1.0
  O  O26  1  0.091  0.098  0.708  1.0
  O  O27  1  0.390  0.383  0.292  1.0
  O  O28  1  0.902  0.610  0.993  1.0
  O  O29  1  0.617  0.909  0.007  1.0
  O  O30  1  0.752  0.010  0.491  1.0
  O  O31  1  0.518  0.261  0.509  1.0
  O  O32  1  0.990  0.482  0.743  1.0
  O  O33  1  0.739  0.248  0.257  1.0
[/CIF]
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