The material described by Cs7LiAu5O2 crystallizes in the monoclinic Cm space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 1-coordinate geometry to one Au(1), one Au(5), two equivalent Au(4), and one O(1) atom. In the second Cs site, Cs(2) is bonded in a 2-coordinate geometry to one Au(1), one Au(4), one Au(5), and two equivalent O(1) atoms. In the third Cs site, Cs(3) is bonded in a 1-coordinate geometry to one Au(1), one Au(4), two equivalent Au(5), and one O(1) atom. In the fourth Cs site, Cs(4) is bonded in a distorted linear geometry to one Au(1), two equivalent Au(4), and two equivalent O(1) atoms. Li(1) is bonded in a linear geometry to one Au(2) and one Au(3) atom. There are five inequivalent Au sites. In the first Au site, Au(1) is bonded in a 8-coordinate geometry to one Cs(4), two equivalent Cs(1), two equivalent Cs(2), two equivalent Cs(3), and one Au(2) atom. In the second Au site, Au(2) is bonded in a distorted single-bond geometry to one Li(1) and one Au(1) atom. In the third Au site, Au(3) is bonded in a T-shaped geometry to one Li(1) and two equivalent O(1) atoms. In the fourth Au site, Au(4) is bonded in a 10-coordinate geometry to two equivalent Cs(2), two equivalent Cs(3), two equivalent Cs(4), and four equivalent Cs(1) atoms. In the fifth Au site, Au(5) is bonded in a body-centered cubic geometry to two equivalent Cs(1), two equivalent Cs(2), and four equivalent Cs(3) atoms. O(1) is bonded to one Cs(1), one Cs(3), one Cs(4), two equivalent Cs(2), and one Au(3) atom to form corner-sharing OCs5Au octahedra. The corner-sharing octahedral tilt angles range from 2-16°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs7LiAu5O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.239
_cell_length_b   9.925
_cell_length_c   10.521
_cell_angle_alpha   118.145
_cell_angle_beta   102.990
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   555.536
_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
  Cs  Cs0  1  0.803  0.592  0.670  1.0
  Cs  Cs1  1  0.541  0.789  0.037  1.0
  Cs  Cs2  1  0.803  0.078  0.670  1.0
  Cs  Cs3  1  0.165  0.379  0.342  1.0
  Cs  Cs4  1  0.165  0.962  0.342  1.0
  Cs  Cs5  1  0.541  0.249  0.037  1.0
  Cs  Cs6  1  0.048  0.507  0.013  1.0
  Li  Li7  1  0.202  0.895  0.791  1.0
  Au  Au8  1  0.577  0.667  0.334  1.0
  Au  Au9  1  0.352  0.785  0.570  1.0
  Au  Au10  1  0.022  0.998  0.996  1.0
  Au  Au11  1  0.395  0.366  0.731  1.0
  Au  Au12  1  0.678  0.186  0.373  1.0
  O  O13  1  0.026  0.793  0.997  1.0
  O  O14  1  0.026  0.204  0.997  1.0
[/CIF]
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The material described by Cs7LiAu5O2 crystallizes in the monoclinic Cm space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 1-coordinate geometry to one Au(1), one Au(5), two equivalent Au(4), and one O(1) atom. In the second Cs site, Cs(2) is bonded in a 2-coordinate geometry to one Au(1), one Au(4), one Au(5), and two equivalent O(1) atoms. In the third Cs site, Cs(3) is bonded in a 1-coordinate geometry to one Au(1), one Au(4), two equivalent Au(5), and one O(1) atom. In the fourth Cs site, Cs(4) is bonded in a distorted linear geometry to one Au(1), two equivalent Au(4), and two equivalent O(1) atoms. Li(1) is bonded in a linear geometry to one Au(2) and one Au(3) atom. There are five inequivalent Au sites. In the first Au site, Au(1) is bonded in a 8-coordinate geometry to one Cs(4), two equivalent Cs(1), two equivalent Cs(2), two equivalent Cs(3), and one Au(2) atom. In the second Au site, Au(2) is bonded in a distorted single-bond geometry to one Li(1) and one Au(1) atom. In the third Au site, Au(3) is bonded in a T-shaped geometry to one Li(1) and two equivalent O(1) atoms. In the fourth Au site, Au(4) is bonded in a 10-coordinate geometry to two equivalent Cs(2), two equivalent Cs(3), two equivalent Cs(4), and four equivalent Cs(1) atoms. In the fifth Au site, Au(5) is bonded in a body-centered cubic geometry to two equivalent Cs(1), two equivalent Cs(2), and four equivalent Cs(3) atoms. O(1) is bonded to one Cs(1), one Cs(3), one Cs(4), two equivalent Cs(2), and one Au(3) atom to form corner-sharing OCs5Au octahedra. The corner-sharing octahedral tilt angles range from 2-16°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs7LiAu5O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.239
_cell_length_b   9.925
_cell_length_c   10.521
_cell_angle_alpha   118.145
_cell_angle_beta   102.990
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   555.536
_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
  Cs  Cs0  1  0.803  0.592  0.670  1.0
  Cs  Cs1  1  0.541  0.789  0.037  1.0
  Cs  Cs2  1  0.803  0.078  0.670  1.0
  Cs  Cs3  1  0.165  0.379  0.342  1.0
  Cs  Cs4  1  0.165  0.962  0.342  1.0
  Cs  Cs5  1  0.541  0.249  0.037  1.0
  Cs  Cs6  1  0.048  0.507  0.013  1.0
  Li  Li7  1  0.202  0.895  0.791  1.0
  Au  Au8  1  0.577  0.667  0.334  1.0
  Au  Au9  1  0.352  0.785  0.570  1.0
  Au  Au10  1  0.022  0.998  0.996  1.0
  Au  Au11  1  0.395  0.366  0.731  1.0
  Au  Au12  1  0.678  0.186  0.373  1.0
  O  O13  1  0.026  0.793  0.997  1.0
  O  O14  1  0.026  0.204  0.997  1.0
[/CIF]
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