The material described by LiAg2F4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one F(2), one F(3), and two equivalent F(1) atoms to form LiF4 tetrahedra that share corners with six equivalent Ag(1)F6 octahedra and corners with four equivalent Ag(2)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-59°. 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 six equivalent Li(1)F4 tetrahedra, corners with six equivalent Ag(2)F4 tetrahedra, and edges with two equivalent Ag(1)F6 octahedra. In the second Ag site, Ag(2) is bonded to one F(2), one F(3), and two equivalent F(1) atoms to form AgF4 tetrahedra that share corners with six equivalent Ag(1)F6 octahedra and corners with four equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 72-75°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Ag(1), and one Ag(2) atom. In the second F site, F(2) is bonded to one Li(1), one Ag(2), and two equivalent Ag(1) atoms to form a mixture of distorted edge and corner-sharing FLiAg3 tetrahedra. In the third F site, F(3) is bonded to one Li(1), one Ag(2), and two equivalent Ag(1) atoms to form a mixture of distorted edge and corner-sharing FLiAg3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAg2F4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.590
_cell_length_b   7.279
_cell_length_c   9.950
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   404.871
_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  0.484  0.750  0.176  1.0
  Li  Li1  1  0.984  0.250  0.324  1.0
  Li  Li2  1  0.016  0.750  0.676  1.0
  Li  Li3  1  0.516  0.250  0.824  1.0
  Ag  Ag4  1  0.000  0.000  0.000  1.0
  Ag  Ag5  1  0.000  0.500  0.000  1.0
  Ag  Ag6  1  0.482  0.250  0.149  1.0
  Ag  Ag7  1  0.982  0.750  0.351  1.0
  Ag  Ag8  1  0.500  0.000  0.500  1.0
  Ag  Ag9  1  0.500  0.500  0.500  1.0
  Ag  Ag10  1  0.018  0.250  0.649  1.0
  Ag  Ag11  1  0.518  0.750  0.851  1.0
  F  F12  1  0.322  0.539  0.108  1.0
  F  F13  1  0.322  0.961  0.108  1.0
  F  F14  1  0.809  0.750  0.131  1.0
  F  F15  1  0.908  0.250  0.136  1.0
  F  F16  1  0.408  0.750  0.364  1.0
  F  F17  1  0.309  0.250  0.369  1.0
  F  F18  1  0.822  0.039  0.392  1.0
  F  F19  1  0.822  0.461  0.392  1.0
  F  F20  1  0.178  0.539  0.608  1.0
  F  F21  1  0.178  0.961  0.608  1.0
  F  F22  1  0.691  0.750  0.631  1.0
  F  F23  1  0.592  0.250  0.636  1.0
  F  F24  1  0.092  0.750  0.864  1.0
  F  F25  1  0.191  0.250  0.869  1.0
  F  F26  1  0.678  0.039  0.892  1.0
  F  F27  1  0.678  0.461  0.892  1.0
[/CIF]
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The material described by LiAg2F4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one F(2), one F(3), and two equivalent F(1) atoms to form LiF4 tetrahedra that share corners with six equivalent Ag(1)F6 octahedra and corners with four equivalent Ag(2)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-59°. 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 six equivalent Li(1)F4 tetrahedra, corners with six equivalent Ag(2)F4 tetrahedra, and edges with two equivalent Ag(1)F6 octahedra. In the second Ag site, Ag(2) is bonded to one F(2), one F(3), and two equivalent F(1) atoms to form AgF4 tetrahedra that share corners with six equivalent Ag(1)F6 octahedra and corners with four equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 72-75°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Ag(1), and one Ag(2) atom. In the second F site, F(2) is bonded to one Li(1), one Ag(2), and two equivalent Ag(1) atoms to form a mixture of distorted edge and corner-sharing FLiAg3 tetrahedra. In the third F site, F(3) is bonded to one Li(1), one Ag(2), and two equivalent Ag(1) atoms to form a mixture of distorted edge and corner-sharing FLiAg3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAg2F4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.590
_cell_length_b   7.279
_cell_length_c   9.950
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   404.871
_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  0.484  0.750  0.176  1.0
  Li  Li1  1  0.984  0.250  0.324  1.0
  Li  Li2  1  0.016  0.750  0.676  1.0
  Li  Li3  1  0.516  0.250  0.824  1.0
  Ag  Ag4  1  0.000  0.000  0.000  1.0
  Ag  Ag5  1  0.000  0.500  0.000  1.0
  Ag  Ag6  1  0.482  0.250  0.149  1.0
  Ag  Ag7  1  0.982  0.750  0.351  1.0
  Ag  Ag8  1  0.500  0.000  0.500  1.0
  Ag  Ag9  1  0.500  0.500  0.500  1.0
  Ag  Ag10  1  0.018  0.250  0.649  1.0
  Ag  Ag11  1  0.518  0.750  0.851  1.0
  F  F12  1  0.322  0.539  0.108  1.0
  F  F13  1  0.322  0.961  0.108  1.0
  F  F14  1  0.809  0.750  0.131  1.0
  F  F15  1  0.908  0.250  0.136  1.0
  F  F16  1  0.408  0.750  0.364  1.0
  F  F17  1  0.309  0.250  0.369  1.0
  F  F18  1  0.822  0.039  0.392  1.0
  F  F19  1  0.822  0.461  0.392  1.0
  F  F20  1  0.178  0.539  0.608  1.0
  F  F21  1  0.178  0.961  0.608  1.0
  F  F22  1  0.691  0.750  0.631  1.0
  F  F23  1  0.592  0.250  0.636  1.0
  F  F24  1  0.092  0.750  0.864  1.0
  F  F25  1  0.191  0.250  0.869  1.0
  F  F26  1  0.678  0.039  0.892  1.0
  F  F27  1  0.678  0.461  0.892  1.0
[/CIF]
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