The crystal structure described by LiFeF4 crystallizes in the orthorhombic Pbca space group. Li(1) is bonded to one F(1), one F(2), one F(3), and one F(4) atom to form LiF4 tetrahedra that share corners with four equivalent Fe(1)F4 tetrahedra. Fe(1) is bonded to one F(1), one F(2), one F(3), and one F(4) atom to form FeF4 tetrahedra that share corners with four equivalent Li(1)F4 tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Li(1) and one Fe(1) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Li(1) and one Fe(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Li(1) and one Fe(1) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one Li(1) and one Fe(1) atom. is represented by the CIF card [CIF]
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.936
_cell_length_b   8.982
_cell_length_c   9.937
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   797.568
_cell_formula_units_Z   8
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  0.207  0.143  0.585  1.0
  Li  Li1  1  0.707  0.143  0.915  1.0
  Li  Li2  1  0.207  0.357  0.085  1.0
  Li  Li3  1  0.707  0.357  0.415  1.0
  Li  Li4  1  0.293  0.643  0.585  1.0
  Li  Li5  1  0.793  0.643  0.915  1.0
  Li  Li6  1  0.293  0.857  0.085  1.0
  Li  Li7  1  0.793  0.857  0.415  1.0
  Fe  Fe8  1  0.578  0.064  0.230  1.0
  Fe  Fe9  1  0.078  0.064  0.270  1.0
  Fe  Fe10  1  0.078  0.436  0.770  1.0
  Fe  Fe11  1  0.578  0.436  0.730  1.0
  Fe  Fe12  1  0.422  0.564  0.270  1.0
  Fe  Fe13  1  0.922  0.564  0.230  1.0
  Fe  Fe14  1  0.922  0.936  0.730  1.0
  Fe  Fe15  1  0.422  0.936  0.770  1.0
  F  F16  1  0.399  0.037  0.139  1.0
  F  F17  1  0.899  0.037  0.361  1.0
  F  F18  1  0.375  0.121  0.700  1.0
  F  F19  1  0.875  0.121  0.800  1.0
  F  F20  1  0.219  0.121  0.396  1.0
  F  F21  1  0.719  0.121  0.104  1.0
  F  F22  1  0.082  0.194  0.127  1.0
  F  F23  1  0.582  0.194  0.373  1.0
  F  F24  1  0.082  0.306  0.627  1.0
  F  F25  1  0.582  0.306  0.873  1.0
  F  F26  1  0.219  0.379  0.896  1.0
  F  F27  1  0.719  0.379  0.604  1.0
  F  F28  1  0.375  0.379  0.200  1.0
  F  F29  1  0.875  0.379  0.300  1.0
  F  F30  1  0.399  0.463  0.639  1.0
  F  F31  1  0.899  0.463  0.861  1.0
  F  F32  1  0.101  0.537  0.139  1.0
  F  F33  1  0.601  0.537  0.361  1.0
  F  F34  1  0.125  0.621  0.700  1.0
  F  F35  1  0.625  0.621  0.800  1.0
  F  F36  1  0.281  0.621  0.396  1.0
  F  F37  1  0.781  0.621  0.104  1.0
  F  F38  1  0.418  0.694  0.127  1.0
  F  F39  1  0.918  0.694  0.373  1.0
  F  F40  1  0.418  0.806  0.627  1.0
  F  F41  1  0.918  0.806  0.873  1.0
  F  F42  1  0.281  0.879  0.896  1.0
  F  F43  1  0.781  0.879  0.604  1.0
  F  F44  1  0.125  0.879  0.200  1.0
  F  F45  1  0.625  0.879  0.300  1.0
  F  F46  1  0.101  0.963  0.639  1.0
  F  F47  1  0.601  0.963  0.861  1.0
[/CIF]
.
The crystal structure described by LiFeF4 crystallizes in the orthorhombic Pbca space group. Li(1) is bonded to one F(1), one F(2), one F(3), and one F(4) atom to form LiF4 tetrahedra that share corners with four equivalent Fe(1)F4 tetrahedra. Fe(1) is bonded to one F(1), one F(2), one F(3), and one F(4) atom to form FeF4 tetrahedra that share corners with four equivalent Li(1)F4 tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Li(1) and one Fe(1) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Li(1) and one Fe(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Li(1) and one Fe(1) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one Li(1) and one Fe(1) atom. is represented by the CIF card [CIF]
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.936
_cell_length_b   8.982
_cell_length_c   9.937
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   797.568
_cell_formula_units_Z   8
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  0.207  0.143  0.585  1.0
  Li  Li1  1  0.707  0.143  0.915  1.0
  Li  Li2  1  0.207  0.357  0.085  1.0
  Li  Li3  1  0.707  0.357  0.415  1.0
  Li  Li4  1  0.293  0.643  0.585  1.0
  Li  Li5  1  0.793  0.643  0.915  1.0
  Li  Li6  1  0.293  0.857  0.085  1.0
  Li  Li7  1  0.793  0.857  0.415  1.0
  Fe  Fe8  1  0.578  0.064  0.230  1.0
  Fe  Fe9  1  0.078  0.064  0.270  1.0
  Fe  Fe10  1  0.078  0.436  0.770  1.0
  Fe  Fe11  1  0.578  0.436  0.730  1.0
  Fe  Fe12  1  0.422  0.564  0.270  1.0
  Fe  Fe13  1  0.922  0.564  0.230  1.0
  Fe  Fe14  1  0.922  0.936  0.730  1.0
  Fe  Fe15  1  0.422  0.936  0.770  1.0
  F  F16  1  0.399  0.037  0.139  1.0
  F  F17  1  0.899  0.037  0.361  1.0
  F  F18  1  0.375  0.121  0.700  1.0
  F  F19  1  0.875  0.121  0.800  1.0
  F  F20  1  0.219  0.121  0.396  1.0
  F  F21  1  0.719  0.121  0.104  1.0
  F  F22  1  0.082  0.194  0.127  1.0
  F  F23  1  0.582  0.194  0.373  1.0
  F  F24  1  0.082  0.306  0.627  1.0
  F  F25  1  0.582  0.306  0.873  1.0
  F  F26  1  0.219  0.379  0.896  1.0
  F  F27  1  0.719  0.379  0.604  1.0
  F  F28  1  0.375  0.379  0.200  1.0
  F  F29  1  0.875  0.379  0.300  1.0
  F  F30  1  0.399  0.463  0.639  1.0
  F  F31  1  0.899  0.463  0.861  1.0
  F  F32  1  0.101  0.537  0.139  1.0
  F  F33  1  0.601  0.537  0.361  1.0
  F  F34  1  0.125  0.621  0.700  1.0
  F  F35  1  0.625  0.621  0.800  1.0
  F  F36  1  0.281  0.621  0.396  1.0
  F  F37  1  0.781  0.621  0.104  1.0
  F  F38  1  0.418  0.694  0.127  1.0
  F  F39  1  0.918  0.694  0.373  1.0
  F  F40  1  0.418  0.806  0.627  1.0
  F  F41  1  0.918  0.806  0.873  1.0
  F  F42  1  0.281  0.879  0.896  1.0
  F  F43  1  0.781  0.879  0.604  1.0
  F  F44  1  0.125  0.879  0.200  1.0
  F  F45  1  0.625  0.879  0.300  1.0
  F  F46  1  0.101  0.963  0.639  1.0
  F  F47  1  0.601  0.963  0.861  1.0
[/CIF]
.