The material described by LiAgF3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one F(2), one F(3), and two equivalent F(1) atoms to form corner-sharing LiF4 tetrahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the second Ag site, Ag(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent F(2) and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Ag(1) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Li(1), one Ag(1), and one Ag(2) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(1), one Ag(1), and one Ag(2) atom. is represented by the CIF card [CIF]
data_LiAgF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.798
_cell_length_b   6.798
_cell_length_c   6.061
_cell_angle_alpha   87.770
_cell_angle_beta   87.770
_cell_angle_gamma   87.054
_symmetry_Int_Tables_number   1
_cell_volume   279.293
_cell_formula_units_Z   4
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  0.902  0.729  0.805  1.0
  Li  Li1  1  0.729  0.902  0.305  1.0
  Li  Li2  1  0.271  0.098  0.695  1.0
  Li  Li3  1  0.098  0.271  0.195  1.0
  Ag  Ag4  1  0.790  0.210  0.750  1.0
  Ag  Ag5  1  0.591  0.409  0.250  1.0
  Ag  Ag6  1  0.409  0.591  0.750  1.0
  Ag  Ag7  1  0.210  0.790  0.250  1.0
  F  F8  1  0.925  0.802  0.105  1.0
  F  F9  1  0.872  0.378  0.357  1.0
  F  F10  1  0.802  0.925  0.605  1.0
  F  F11  1  0.706  0.524  0.836  1.0
  F  F12  1  0.622  0.128  0.143  1.0
  F  F13  1  0.524  0.706  0.336  1.0
  F  F14  1  0.476  0.294  0.664  1.0
  F  F15  1  0.378  0.872  0.857  1.0
  F  F16  1  0.294  0.476  0.164  1.0
  F  F17  1  0.198  0.075  0.395  1.0
  F  F18  1  0.128  0.622  0.643  1.0
  F  F19  1  0.075  0.198  0.895  1.0
[/CIF]
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The material described by LiAgF3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one F(2), one F(3), and two equivalent F(1) atoms to form corner-sharing LiF4 tetrahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the second Ag site, Ag(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent F(2) and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Ag(1) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Li(1), one Ag(1), and one Ag(2) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(1), one Ag(1), and one Ag(2) atom. is represented by the CIF card [CIF]
data_LiAgF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.798
_cell_length_b   6.798
_cell_length_c   6.061
_cell_angle_alpha   87.770
_cell_angle_beta   87.770
_cell_angle_gamma   87.054
_symmetry_Int_Tables_number   1
_cell_volume   279.293
_cell_formula_units_Z   4
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  0.902  0.729  0.805  1.0
  Li  Li1  1  0.729  0.902  0.305  1.0
  Li  Li2  1  0.271  0.098  0.695  1.0
  Li  Li3  1  0.098  0.271  0.195  1.0
  Ag  Ag4  1  0.790  0.210  0.750  1.0
  Ag  Ag5  1  0.591  0.409  0.250  1.0
  Ag  Ag6  1  0.409  0.591  0.750  1.0
  Ag  Ag7  1  0.210  0.790  0.250  1.0
  F  F8  1  0.925  0.802  0.105  1.0
  F  F9  1  0.872  0.378  0.357  1.0
  F  F10  1  0.802  0.925  0.605  1.0
  F  F11  1  0.706  0.524  0.836  1.0
  F  F12  1  0.622  0.128  0.143  1.0
  F  F13  1  0.524  0.706  0.336  1.0
  F  F14  1  0.476  0.294  0.664  1.0
  F  F15  1  0.378  0.872  0.857  1.0
  F  F16  1  0.294  0.476  0.164  1.0
  F  F17  1  0.198  0.075  0.395  1.0
  F  F18  1  0.128  0.622  0.643  1.0
  F  F19  1  0.075  0.198  0.895  1.0
[/CIF]
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