The compound described by Li5AuO4 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent O(2) atoms. In the second Li site, Li(2) is bonded to one O(1) and three equivalent O(2) atoms to form LiO4 trigonal pyramids that share corners with two equivalent Li(2)O4 trigonal pyramids, corners with five equivalent Li(3)O5 trigonal pyramids, edges with two equivalent Li(2)O4 trigonal pyramids, and edges with two equivalent Li(3)O5 trigonal pyramids. In the third Li site, Li(3) is bonded to two equivalent O(2) and three equivalent O(1) atoms to form distorted LiO5 trigonal pyramids that share corners with two equivalent Li(3)O5 trigonal pyramids, corners with five equivalent Li(2)O4 trigonal pyramids, edges with two equivalent Li(2)O4 trigonal pyramids, and edges with three equivalent Li(3)O5 trigonal pyramids. Au(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), three equivalent Li(3), and one Au(1) atom. In the second O site, O(2) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Li(3), three equivalent Li(2), and one Au(1) atom. is represented by the CIF card [CIF]
data_Li5AuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.608
_cell_length_b   5.382
_cell_length_c   5.558
_cell_angle_alpha   79.959
_cell_angle_beta   73.237
_cell_angle_gamma   71.318
_symmetry_Int_Tables_number   1
_cell_volume   97.509
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.815  0.963  0.396  1.0
  Li  Li2  1  0.682  0.662  0.967  1.0
  Li  Li3  1  0.318  0.338  0.033  1.0
  Li  Li4  1  0.185  0.037  0.604  1.0
  Au  Au5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.765  0.312  0.178  1.0
  O  O7  1  0.585  0.141  0.713  1.0
  O  O8  1  0.415  0.859  0.287  1.0
  O  O9  1  0.235  0.688  0.822  1.0
[/CIF]
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The compound described by Li5AuO4 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent O(2) atoms. In the second Li site, Li(2) is bonded to one O(1) and three equivalent O(2) atoms to form LiO4 trigonal pyramids that share corners with two equivalent Li(2)O4 trigonal pyramids, corners with five equivalent Li(3)O5 trigonal pyramids, edges with two equivalent Li(2)O4 trigonal pyramids, and edges with two equivalent Li(3)O5 trigonal pyramids. In the third Li site, Li(3) is bonded to two equivalent O(2) and three equivalent O(1) atoms to form distorted LiO5 trigonal pyramids that share corners with two equivalent Li(3)O5 trigonal pyramids, corners with five equivalent Li(2)O4 trigonal pyramids, edges with two equivalent Li(2)O4 trigonal pyramids, and edges with three equivalent Li(3)O5 trigonal pyramids. Au(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), three equivalent Li(3), and one Au(1) atom. In the second O site, O(2) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Li(3), three equivalent Li(2), and one Au(1) atom. is represented by the CIF card [CIF]
data_Li5AuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.608
_cell_length_b   5.382
_cell_length_c   5.558
_cell_angle_alpha   79.959
_cell_angle_beta   73.237
_cell_angle_gamma   71.318
_symmetry_Int_Tables_number   1
_cell_volume   97.509
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.815  0.963  0.396  1.0
  Li  Li2  1  0.682  0.662  0.967  1.0
  Li  Li3  1  0.318  0.338  0.033  1.0
  Li  Li4  1  0.185  0.037  0.604  1.0
  Au  Au5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.765  0.312  0.178  1.0
  O  O7  1  0.585  0.141  0.713  1.0
  O  O8  1  0.415  0.859  0.287  1.0
  O  O9  1  0.235  0.688  0.822  1.0
[/CIF]
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