The crystal structure described by LiAg3(IrO3)2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share edges with six equivalent Ir(1)O6 octahedra. Ir(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form IrO6 octahedra that share edges with three equivalent Li(1)O6 octahedra and edges with three equivalent Ir(1)O6 octahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a linear geometry to two equivalent O(2) atoms. In the second Ag site, Ag(2) is bonded in a linear geometry to two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Ir(1), and one Ag(2) atom to form a mixture of distorted corner and edge-sharing OLiAgIr2 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent Ir(1), and one Ag(1) atom to form a mixture of distorted corner and edge-sharing OLiAgIr2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAg3(IrO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.340
_cell_length_b   5.350
_cell_length_c   6.632
_cell_angle_alpha   74.398
_cell_angle_beta   97.743
_cell_angle_gamma   120.063
_symmetry_Int_Tables_number   1
_cell_volume   157.911
_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  0.333  0.167  0.500  1.0
  Ag  Ag1  1  0.672  0.336  0.000  1.0
  Ag  Ag2  1  0.333  0.667  0.000  1.0
  Ag  Ag3  1  0.994  0.997  0.000  1.0
  Ir  Ir4  1  1.000  0.500  0.500  1.0
  Ir  Ir5  1  0.667  0.833  0.500  1.0
  O  O6  1  0.333  0.758  0.665  1.0
  O  O7  1  0.980  0.112  0.664  1.0
  O  O8  1  0.687  0.466  0.664  1.0
  O  O9  1  0.687  0.221  0.336  1.0
  O  O10  1  0.333  0.575  0.335  1.0
  O  O11  1  0.980  0.867  0.336  1.0
[/CIF]
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The crystal structure described by LiAg3(IrO3)2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share edges with six equivalent Ir(1)O6 octahedra. Ir(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form IrO6 octahedra that share edges with three equivalent Li(1)O6 octahedra and edges with three equivalent Ir(1)O6 octahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a linear geometry to two equivalent O(2) atoms. In the second Ag site, Ag(2) is bonded in a linear geometry to two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Ir(1), and one Ag(2) atom to form a mixture of distorted corner and edge-sharing OLiAgIr2 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent Ir(1), and one Ag(1) atom to form a mixture of distorted corner and edge-sharing OLiAgIr2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAg3(IrO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.340
_cell_length_b   5.350
_cell_length_c   6.632
_cell_angle_alpha   74.398
_cell_angle_beta   97.743
_cell_angle_gamma   120.063
_symmetry_Int_Tables_number   1
_cell_volume   157.911
_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  0.333  0.167  0.500  1.0
  Ag  Ag1  1  0.672  0.336  0.000  1.0
  Ag  Ag2  1  0.333  0.667  0.000  1.0
  Ag  Ag3  1  0.994  0.997  0.000  1.0
  Ir  Ir4  1  1.000  0.500  0.500  1.0
  Ir  Ir5  1  0.667  0.833  0.500  1.0
  O  O6  1  0.333  0.758  0.665  1.0
  O  O7  1  0.980  0.112  0.664  1.0
  O  O8  1  0.687  0.466  0.664  1.0
  O  O9  1  0.687  0.221  0.336  1.0
  O  O10  1  0.333  0.575  0.335  1.0
  O  O11  1  0.980  0.867  0.336  1.0
[/CIF]
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