The crystal structure described by LiAuF4 crystallizes in the monoclinic P2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form edge-sharing LiF6 octahedra. In the second Li site, Li(2) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form edge-sharing LiF6 octahedra. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(4) atoms. In the second Au site, Au(2) is bonded in a square co-planar geometry to two equivalent F(2) and two equivalent F(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Li(2) and one Au(1) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Li(1) and one Au(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Au(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Au(1) atom. is represented by the CIF file [CIF]
data_LiAuF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.821
_cell_length_b   6.253
_cell_length_c   6.253
_cell_angle_alpha   60.889
_cell_angle_beta   70.103
_cell_angle_gamma   70.103
_symmetry_Int_Tables_number   1
_cell_volume   151.314
_cell_formula_units_Z   2
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
  Au  Au0  1  0.000  0.500  0.500  1.0
  Au  Au1  1  0.500  1.000  0.000  1.0
  F  F2  1  0.177  0.531  0.717  1.0
  F  F3  1  0.823  0.469  0.283  1.0
  F  F4  1  0.677  0.217  0.031  1.0
  F  F5  1  0.821  0.010  0.707  1.0
  F  F6  1  0.679  0.793  0.490  1.0
  F  F7  1  0.321  0.207  0.510  1.0
  F  F8  1  0.179  0.990  0.293  1.0
  F  F9  1  0.323  0.783  0.969  1.0
  Li  Li10  1  0.750  0.155  0.345  1.0
  Li  Li11  1  0.250  0.845  0.655  1.0
[/CIF]
.
The crystal structure described by LiAuF4 crystallizes in the monoclinic P2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form edge-sharing LiF6 octahedra. In the second Li site, Li(2) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form edge-sharing LiF6 octahedra. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(4) atoms. In the second Au site, Au(2) is bonded in a square co-planar geometry to two equivalent F(2) and two equivalent F(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Li(2) and one Au(1) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Li(1) and one Au(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Au(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Au(1) atom. is represented by the CIF file [CIF]
data_LiAuF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.821
_cell_length_b   6.253
_cell_length_c   6.253
_cell_angle_alpha   60.889
_cell_angle_beta   70.103
_cell_angle_gamma   70.103
_symmetry_Int_Tables_number   1
_cell_volume   151.314
_cell_formula_units_Z   2
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
  Au  Au0  1  0.000  0.500  0.500  1.0
  Au  Au1  1  0.500  1.000  0.000  1.0
  F  F2  1  0.177  0.531  0.717  1.0
  F  F3  1  0.823  0.469  0.283  1.0
  F  F4  1  0.677  0.217  0.031  1.0
  F  F5  1  0.821  0.010  0.707  1.0
  F  F6  1  0.679  0.793  0.490  1.0
  F  F7  1  0.321  0.207  0.510  1.0
  F  F8  1  0.179  0.990  0.293  1.0
  F  F9  1  0.323  0.783  0.969  1.0
  Li  Li10  1  0.750  0.155  0.345  1.0
  Li  Li11  1  0.250  0.845  0.655  1.0
[/CIF]
.