The material structure described by LiAg2F4 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded to two equivalent F(2) and two equivalent F(3) atoms to form LiF4 tetrahedra that share corners with ten equivalent Ag(1)F6 octahedra and corners with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-69°. Ag(1) is bonded to one F(3), two equivalent F(1), and three equivalent F(2) atoms to form distorted AgF6 octahedra that share corners with three equivalent Ag(1)F6 octahedra, corners with five equivalent Li(1)F4 tetrahedra, and edges with five equivalent Ag(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-76°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted square co-planar geometry to four equivalent Ag(1) atoms. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1) and three equivalent Ag(1) atoms. In the third F site, F(3) is bonded to two equivalent Li(1) and two equivalent Ag(1) atoms to form corner-sharing FLi2Ag2 tetrahedra. is represented by the CIF file [CIF]
data_LiAg2F4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.891
_cell_length_b   3.309
_cell_length_c   5.581
_cell_angle_alpha   86.914
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   200.854
_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  0.250  0.871  0.299  1.0
  Li  Li1  1  0.750  0.129  0.701  1.0
  Ag  Ag2  1  0.080  0.369  0.771  1.0
  Ag  Ag3  1  0.420  0.369  0.771  1.0
  Ag  Ag4  1  0.580  0.631  0.229  1.0
  Ag  Ag5  1  0.920  0.631  0.229  1.0
  F  F6  1  0.000  0.000  0.500  1.0
  F  F7  1  0.880  0.221  0.934  1.0
  F  F8  1  0.620  0.221  0.934  1.0
  F  F9  1  0.250  0.379  0.513  1.0
  F  F10  1  0.750  0.621  0.487  1.0
  F  F11  1  0.120  0.779  0.066  1.0
  F  F12  1  0.380  0.779  0.066  1.0
  F  F13  1  0.500  0.000  0.500  1.0
[/CIF]
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The material structure described by LiAg2F4 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded to two equivalent F(2) and two equivalent F(3) atoms to form LiF4 tetrahedra that share corners with ten equivalent Ag(1)F6 octahedra and corners with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-69°. Ag(1) is bonded to one F(3), two equivalent F(1), and three equivalent F(2) atoms to form distorted AgF6 octahedra that share corners with three equivalent Ag(1)F6 octahedra, corners with five equivalent Li(1)F4 tetrahedra, and edges with five equivalent Ag(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-76°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted square co-planar geometry to four equivalent Ag(1) atoms. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1) and three equivalent Ag(1) atoms. In the third F site, F(3) is bonded to two equivalent Li(1) and two equivalent Ag(1) atoms to form corner-sharing FLi2Ag2 tetrahedra. is represented by the CIF file [CIF]
data_LiAg2F4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.891
_cell_length_b   3.309
_cell_length_c   5.581
_cell_angle_alpha   86.914
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   200.854
_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  0.250  0.871  0.299  1.0
  Li  Li1  1  0.750  0.129  0.701  1.0
  Ag  Ag2  1  0.080  0.369  0.771  1.0
  Ag  Ag3  1  0.420  0.369  0.771  1.0
  Ag  Ag4  1  0.580  0.631  0.229  1.0
  Ag  Ag5  1  0.920  0.631  0.229  1.0
  F  F6  1  0.000  0.000  0.500  1.0
  F  F7  1  0.880  0.221  0.934  1.0
  F  F8  1  0.620  0.221  0.934  1.0
  F  F9  1  0.250  0.379  0.513  1.0
  F  F10  1  0.750  0.621  0.487  1.0
  F  F11  1  0.120  0.779  0.066  1.0
  F  F12  1  0.380  0.779  0.066  1.0
  F  F13  1  0.500  0.000  0.500  1.0
[/CIF]
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