The material structure described by LiAgF4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form LiF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Ag(1)F6 octahedra, and edges with two equivalent Ag(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. Ag(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form AgF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Ag(1)F6 octahedra, and edges with two equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Ag(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Ag(1) atoms. is represented by the CIF card [CIF]
data_LiAgF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.058
_cell_length_b   5.675
_cell_length_c   6.197
_cell_angle_alpha   59.952
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   153.970
_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  0.500  0.500  0.000  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Ag  Ag2  1  0.500  0.000  0.500  1.0
  Ag  Ag3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.696  0.659  0.649  1.0
  F  F5  1  0.196  0.341  0.851  1.0
  F  F6  1  0.672  0.158  0.178  1.0
  F  F7  1  0.172  0.842  0.322  1.0
  F  F8  1  0.828  0.158  0.678  1.0
  F  F9  1  0.328  0.842  0.822  1.0
  F  F10  1  0.804  0.659  0.149  1.0
  F  F11  1  0.304  0.341  0.351  1.0
[/CIF]
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The material structure described by LiAgF4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form LiF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Ag(1)F6 octahedra, and edges with two equivalent Ag(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. Ag(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form AgF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Ag(1)F6 octahedra, and edges with two equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Ag(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Ag(1) atoms. is represented by the CIF card [CIF]
data_LiAgF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.058
_cell_length_b   5.675
_cell_length_c   6.197
_cell_angle_alpha   59.952
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   153.970
_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  0.500  0.500  0.000  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Ag  Ag2  1  0.500  0.000  0.500  1.0
  Ag  Ag3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.696  0.659  0.649  1.0
  F  F5  1  0.196  0.341  0.851  1.0
  F  F6  1  0.672  0.158  0.178  1.0
  F  F7  1  0.172  0.842  0.322  1.0
  F  F8  1  0.828  0.158  0.678  1.0
  F  F9  1  0.328  0.842  0.822  1.0
  F  F10  1  0.804  0.659  0.149  1.0
  F  F11  1  0.304  0.341  0.351  1.0
[/CIF]
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