The material structure described by LiAuO2 crystallizes in the tetragonal I4_122 space group. Li(1) is bonded in a distorted square co-planar geometry to two equivalent Au(1) and four equivalent O(1) atoms. Au(1) is bonded to two equivalent Li(1) and four equivalent O(1) atoms to form distorted AuLi2O4 octahedra that share corners with six equivalent Au(1)Li2O4 octahedra and corners with eight equivalent O(1)Li2Au2 tetrahedra. The corner-sharing octahedral tilt angles range from 0-65°. O(1) is bonded to two equivalent Li(1) and two equivalent Au(1) atoms to form distorted OLi2Au2 tetrahedra that share corners with four equivalent Au(1)Li2O4 octahedra, corners with eight equivalent O(1)Li2Au2 tetrahedra, and edges with two equivalent O(1)Li2Au2 tetrahedra. The corner-sharing octahedral tilt angles are 90°. is represented by the CIF card [CIF]
data_LiAuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.210
_cell_length_b   4.210
_cell_length_c   6.084
_cell_angle_alpha   110.239
_cell_angle_beta   110.239
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   94.027
_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
  Li  Li0  1  0.250  0.750  0.500  1.0
  Li  Li1  1  0.000  0.000  0.000  1.0
  Au  Au2  1  0.500  0.500  0.000  1.0
  Au  Au3  1  0.750  0.250  0.500  1.0
  O  O4  1  0.125  0.630  0.750  1.0
  O  O5  1  0.625  0.120  0.750  1.0
  O  O6  1  0.370  0.875  0.250  1.0
  O  O7  1  0.880  0.375  0.250  1.0
[/CIF]
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The material structure described by LiAuO2 crystallizes in the tetragonal I4_122 space group. Li(1) is bonded in a distorted square co-planar geometry to two equivalent Au(1) and four equivalent O(1) atoms. Au(1) is bonded to two equivalent Li(1) and four equivalent O(1) atoms to form distorted AuLi2O4 octahedra that share corners with six equivalent Au(1)Li2O4 octahedra and corners with eight equivalent O(1)Li2Au2 tetrahedra. The corner-sharing octahedral tilt angles range from 0-65°. O(1) is bonded to two equivalent Li(1) and two equivalent Au(1) atoms to form distorted OLi2Au2 tetrahedra that share corners with four equivalent Au(1)Li2O4 octahedra, corners with eight equivalent O(1)Li2Au2 tetrahedra, and edges with two equivalent O(1)Li2Au2 tetrahedra. The corner-sharing octahedral tilt angles are 90°. is represented by the CIF card [CIF]
data_LiAuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.210
_cell_length_b   4.210
_cell_length_c   6.084
_cell_angle_alpha   110.239
_cell_angle_beta   110.239
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   94.027
_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
  Li  Li0  1  0.250  0.750  0.500  1.0
  Li  Li1  1  0.000  0.000  0.000  1.0
  Au  Au2  1  0.500  0.500  0.000  1.0
  Au  Au3  1  0.750  0.250  0.500  1.0
  O  O4  1  0.125  0.630  0.750  1.0
  O  O5  1  0.625  0.120  0.750  1.0
  O  O6  1  0.370  0.875  0.250  1.0
  O  O7  1  0.880  0.375  0.250  1.0
[/CIF]
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