The compound described by LiAgF4 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(3), two equivalent F(1), and two equivalent F(5) atoms to form distorted LiF5 trigonal bipyramids that share corners with two equivalent Ag(2)F6 octahedra and corners with four equivalent Ag(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 45-67°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one F(4), two equivalent F(2), and two equivalent F(5) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form AgF6 octahedra that share corners with two equivalent Ag(1)F6 octahedra, corners with two equivalent Ag(2)F6 octahedra, and corners with four equivalent Li(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 42-50°. In the second Ag site, Ag(2) is bonded to two equivalent F(2), two equivalent F(4), and two equivalent F(5) atoms to form AgF6 octahedra that share corners with two equivalent Ag(1)F6 octahedra, corners with two equivalent Ag(2)F6 octahedra, and corners with two equivalent Li(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 42-56°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one Ag(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Ag(1), and one Ag(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Ag(1) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(2) and two equivalent Ag(2) atoms. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(2), and one Ag(2) atom. is represented by the CIF file [CIF]
data_LiAgF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.132
_cell_length_b   5.490
_cell_length_c   7.754
_cell_angle_alpha   71.707
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   328.660
_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  0.250  0.421  0.142  1.0
  Li  Li1  1  0.750  0.975  0.448  1.0
  Li  Li2  1  0.250  0.025  0.552  1.0
  Li  Li3  1  0.750  0.579  0.858  1.0
  Ag  Ag4  1  0.500  0.000  0.000  1.0
  Ag  Ag5  1  0.000  0.000  0.000  1.0
  Ag  Ag6  1  0.500  0.500  0.500  1.0
  Ag  Ag7  1  0.000  0.500  0.500  1.0
  F  F8  1  0.908  0.320  0.012  1.0
  F  F9  1  0.592  0.320  0.012  1.0
  F  F10  1  0.928  0.817  0.279  1.0
  F  F11  1  0.572  0.817  0.279  1.0
  F  F12  1  0.250  0.106  0.075  1.0
  F  F13  1  0.250  0.691  0.508  1.0
  F  F14  1  0.093  0.279  0.363  1.0
  F  F15  1  0.407  0.279  0.363  1.0
  F  F16  1  0.907  0.721  0.637  1.0
  F  F17  1  0.593  0.721  0.637  1.0
  F  F18  1  0.750  0.309  0.492  1.0
  F  F19  1  0.750  0.894  0.925  1.0
  F  F20  1  0.428  0.183  0.721  1.0
  F  F21  1  0.072  0.183  0.721  1.0
  F  F22  1  0.408  0.680  0.988  1.0
  F  F23  1  0.092  0.680  0.988  1.0
[/CIF]
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The compound described by LiAgF4 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(3), two equivalent F(1), and two equivalent F(5) atoms to form distorted LiF5 trigonal bipyramids that share corners with two equivalent Ag(2)F6 octahedra and corners with four equivalent Ag(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 45-67°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one F(4), two equivalent F(2), and two equivalent F(5) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form AgF6 octahedra that share corners with two equivalent Ag(1)F6 octahedra, corners with two equivalent Ag(2)F6 octahedra, and corners with four equivalent Li(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 42-50°. In the second Ag site, Ag(2) is bonded to two equivalent F(2), two equivalent F(4), and two equivalent F(5) atoms to form AgF6 octahedra that share corners with two equivalent Ag(1)F6 octahedra, corners with two equivalent Ag(2)F6 octahedra, and corners with two equivalent Li(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 42-56°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one Ag(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Ag(1), and one Ag(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Ag(1) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(2) and two equivalent Ag(2) atoms. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(2), and one Ag(2) atom. is represented by the CIF file [CIF]
data_LiAgF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.132
_cell_length_b   5.490
_cell_length_c   7.754
_cell_angle_alpha   71.707
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   328.660
_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  0.250  0.421  0.142  1.0
  Li  Li1  1  0.750  0.975  0.448  1.0
  Li  Li2  1  0.250  0.025  0.552  1.0
  Li  Li3  1  0.750  0.579  0.858  1.0
  Ag  Ag4  1  0.500  0.000  0.000  1.0
  Ag  Ag5  1  0.000  0.000  0.000  1.0
  Ag  Ag6  1  0.500  0.500  0.500  1.0
  Ag  Ag7  1  0.000  0.500  0.500  1.0
  F  F8  1  0.908  0.320  0.012  1.0
  F  F9  1  0.592  0.320  0.012  1.0
  F  F10  1  0.928  0.817  0.279  1.0
  F  F11  1  0.572  0.817  0.279  1.0
  F  F12  1  0.250  0.106  0.075  1.0
  F  F13  1  0.250  0.691  0.508  1.0
  F  F14  1  0.093  0.279  0.363  1.0
  F  F15  1  0.407  0.279  0.363  1.0
  F  F16  1  0.907  0.721  0.637  1.0
  F  F17  1  0.593  0.721  0.637  1.0
  F  F18  1  0.750  0.309  0.492  1.0
  F  F19  1  0.750  0.894  0.925  1.0
  F  F20  1  0.428  0.183  0.721  1.0
  F  F21  1  0.072  0.183  0.721  1.0
  F  F22  1  0.408  0.680  0.988  1.0
  F  F23  1  0.092  0.680  0.988  1.0
[/CIF]
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