The structure described by LiAgF3 is Ilmenite-like structured and crystallizes in the hexagonal P6_122 space group. Li(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form LiF6 octahedra that share corners with six equivalent Ag(1)F6 octahedra, edges with three equivalent Ag(1)F6 octahedra, and faces with two equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. Ag(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form distorted AgF6 octahedra that share corners with six equivalent Li(1)F6 octahedra, corners with six equivalent Ag(1)F6 octahedra, and edges with three equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-62°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Ag(1) atoms. In the second F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Ag(1) atoms. is represented by the CIF file [CIF]
data_LiAgF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.431
_cell_length_b   5.431
_cell_length_c   15.231
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   389.106
_cell_formula_units_Z   6
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  0.049  0.099  0.750  1.0
  Li  Li1  1  0.099  0.049  0.583  1.0
  Li  Li2  1  0.901  0.951  0.083  1.0
  Li  Li3  1  0.951  0.901  0.250  1.0
  Li  Li4  1  0.951  0.049  0.917  1.0
  Li  Li5  1  0.049  0.951  0.417  1.0
  Ag  Ag6  1  0.294  0.706  0.917  1.0
  Ag  Ag7  1  0.294  0.588  0.250  1.0
  Ag  Ag8  1  0.412  0.706  0.583  1.0
  Ag  Ag9  1  0.588  0.294  0.083  1.0
  Ag  Ag10  1  0.706  0.294  0.417  1.0
  Ag  Ag11  1  0.706  0.412  0.750  1.0
  F  F12  1  0.235  0.000  0.000  1.0
  F  F13  1  0.235  0.235  0.167  1.0
  F  F14  1  0.285  0.367  0.844  1.0
  F  F15  1  0.285  0.917  0.323  1.0
  F  F16  1  0.367  0.083  0.677  1.0
  F  F17  1  0.367  0.285  0.490  1.0
  F  F18  1  0.633  0.715  0.990  1.0
  F  F19  1  0.633  0.917  0.177  1.0
  F  F20  1  0.715  0.083  0.823  1.0
  F  F21  1  0.715  0.633  0.344  1.0
  F  F22  1  0.765  0.765  0.667  1.0
  F  F23  1  0.765  0.000  0.500  1.0
  F  F24  1  0.917  0.285  0.010  1.0
  F  F25  1  0.917  0.633  0.156  1.0
  F  F26  1  0.000  0.235  0.333  1.0
  F  F27  1  0.000  0.765  0.833  1.0
  F  F28  1  0.083  0.367  0.656  1.0
  F  F29  1  0.083  0.715  0.510  1.0
[/CIF]
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The structure described by LiAgF3 is Ilmenite-like structured and crystallizes in the hexagonal P6_122 space group. Li(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form LiF6 octahedra that share corners with six equivalent Ag(1)F6 octahedra, edges with three equivalent Ag(1)F6 octahedra, and faces with two equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. Ag(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form distorted AgF6 octahedra that share corners with six equivalent Li(1)F6 octahedra, corners with six equivalent Ag(1)F6 octahedra, and edges with three equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-62°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Ag(1) atoms. In the second F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Ag(1) atoms. is represented by the CIF file [CIF]
data_LiAgF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.431
_cell_length_b   5.431
_cell_length_c   15.231
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   389.106
_cell_formula_units_Z   6
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  0.049  0.099  0.750  1.0
  Li  Li1  1  0.099  0.049  0.583  1.0
  Li  Li2  1  0.901  0.951  0.083  1.0
  Li  Li3  1  0.951  0.901  0.250  1.0
  Li  Li4  1  0.951  0.049  0.917  1.0
  Li  Li5  1  0.049  0.951  0.417  1.0
  Ag  Ag6  1  0.294  0.706  0.917  1.0
  Ag  Ag7  1  0.294  0.588  0.250  1.0
  Ag  Ag8  1  0.412  0.706  0.583  1.0
  Ag  Ag9  1  0.588  0.294  0.083  1.0
  Ag  Ag10  1  0.706  0.294  0.417  1.0
  Ag  Ag11  1  0.706  0.412  0.750  1.0
  F  F12  1  0.235  0.000  0.000  1.0
  F  F13  1  0.235  0.235  0.167  1.0
  F  F14  1  0.285  0.367  0.844  1.0
  F  F15  1  0.285  0.917  0.323  1.0
  F  F16  1  0.367  0.083  0.677  1.0
  F  F17  1  0.367  0.285  0.490  1.0
  F  F18  1  0.633  0.715  0.990  1.0
  F  F19  1  0.633  0.917  0.177  1.0
  F  F20  1  0.715  0.083  0.823  1.0
  F  F21  1  0.715  0.633  0.344  1.0
  F  F22  1  0.765  0.765  0.667  1.0
  F  F23  1  0.765  0.000  0.500  1.0
  F  F24  1  0.917  0.285  0.010  1.0
  F  F25  1  0.917  0.633  0.156  1.0
  F  F26  1  0.000  0.235  0.333  1.0
  F  F27  1  0.000  0.765  0.833  1.0
  F  F28  1  0.083  0.367  0.656  1.0
  F  F29  1  0.083  0.715  0.510  1.0
[/CIF]
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