The compound described by Li2AgF3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form a mixture of corner and edge-sharing LiF6 octahedra. The corner-sharing octahedra are not tilted. In the second Li site, Li(2) is bonded in a see-saw-like geometry to two equivalent F(1) and two equivalent F(2) atoms. Ag(1) is bonded in a 6-coordinate geometry to two equivalent F(2) and four equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), two equivalent Li(1), and two equivalent Ag(1) atoms to form distorted FLi3Ag2 square pyramids that share corners with two equivalent F(2)Li4Ag2 octahedra, corners with seven equivalent F(1)Li3Ag2 square pyramids, edges with four equivalent F(2)Li4Ag2 octahedra, and edges with three equivalent F(1)Li3Ag2 square pyramids. The corner-sharing octahedral tilt angles range from 6-75°. In the second F site, F(2) is bonded to two equivalent Li(1), two equivalent Li(2), and two equivalent Ag(1) atoms to form distorted FLi4Ag2 octahedra that share corners with two equivalent F(2)Li4Ag2 octahedra, corners with four equivalent F(1)Li3Ag2 square pyramids, edges with two equivalent F(2)Li4Ag2 octahedra, and edges with eight equivalent F(1)Li3Ag2 square pyramids. The corner-sharing octahedral tilt angles are 4°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2AgF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.944
_cell_length_b   5.944
_cell_length_c   5.288
_cell_angle_alpha   82.146
_cell_angle_beta   82.146
_cell_angle_gamma   127.390
_symmetry_Int_Tables_number   1
_cell_volume   141.183
_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  0.743  0.257  0.750  1.0
  Li  Li1  1  0.353  0.647  0.750  1.0
  Li  Li2  1  0.647  0.353  0.250  1.0
  Li  Li3  1  0.257  0.743  0.250  1.0
  Ag  Ag4  1  0.941  0.059  0.250  1.0
  Ag  Ag5  1  0.059  0.941  0.750  1.0
  F  F6  1  0.603  0.848  0.962  1.0
  F  F7  1  0.000  0.500  0.000  1.0
  F  F8  1  0.152  0.397  0.538  1.0
  F  F9  1  0.500  0.000  0.500  1.0
  F  F10  1  0.848  0.603  0.462  1.0
  F  F11  1  0.397  0.152  0.038  1.0
[/CIF]
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The compound described by Li2AgF3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form a mixture of corner and edge-sharing LiF6 octahedra. The corner-sharing octahedra are not tilted. In the second Li site, Li(2) is bonded in a see-saw-like geometry to two equivalent F(1) and two equivalent F(2) atoms. Ag(1) is bonded in a 6-coordinate geometry to two equivalent F(2) and four equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), two equivalent Li(1), and two equivalent Ag(1) atoms to form distorted FLi3Ag2 square pyramids that share corners with two equivalent F(2)Li4Ag2 octahedra, corners with seven equivalent F(1)Li3Ag2 square pyramids, edges with four equivalent F(2)Li4Ag2 octahedra, and edges with three equivalent F(1)Li3Ag2 square pyramids. The corner-sharing octahedral tilt angles range from 6-75°. In the second F site, F(2) is bonded to two equivalent Li(1), two equivalent Li(2), and two equivalent Ag(1) atoms to form distorted FLi4Ag2 octahedra that share corners with two equivalent F(2)Li4Ag2 octahedra, corners with four equivalent F(1)Li3Ag2 square pyramids, edges with two equivalent F(2)Li4Ag2 octahedra, and edges with eight equivalent F(1)Li3Ag2 square pyramids. The corner-sharing octahedral tilt angles are 4°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2AgF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.944
_cell_length_b   5.944
_cell_length_c   5.288
_cell_angle_alpha   82.146
_cell_angle_beta   82.146
_cell_angle_gamma   127.390
_symmetry_Int_Tables_number   1
_cell_volume   141.183
_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  0.743  0.257  0.750  1.0
  Li  Li1  1  0.353  0.647  0.750  1.0
  Li  Li2  1  0.647  0.353  0.250  1.0
  Li  Li3  1  0.257  0.743  0.250  1.0
  Ag  Ag4  1  0.941  0.059  0.250  1.0
  Ag  Ag5  1  0.059  0.941  0.750  1.0
  F  F6  1  0.603  0.848  0.962  1.0
  F  F7  1  0.000  0.500  0.000  1.0
  F  F8  1  0.152  0.397  0.538  1.0
  F  F9  1  0.500  0.000  0.500  1.0
  F  F10  1  0.848  0.603  0.462  1.0
  F  F11  1  0.397  0.152  0.038  1.0
[/CIF]
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