The structure described by LiFeF4 is beta Vanadium nitride-derived structured and crystallizes in the orthorhombic P2_12_12_1 space group. Li(1) is bonded to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms to form distorted LiF6 octahedra that share corners with four equivalent Fe(1)F6 octahedra, edges with two equivalent Li(1)F6 octahedra, and edges with two equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 27-62°. Fe(1) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form FeF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Fe(1)F6 octahedra, and edges with two equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 27-62°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Fe(1) atoms. In the third F site, F(3) is bonded in a T-shaped geometry to two equivalent Li(1) and one Fe(1) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.782
_cell_length_b   5.952
_cell_length_c   8.500
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   292.523
_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  0.026  0.785  0.256  1.0
  Li  Li1  1  0.474  0.215  0.756  1.0
  Li  Li2  1  0.974  0.285  0.244  1.0
  Li  Li3  1  0.526  0.715  0.744  1.0
  Fe  Fe4  1  0.976  0.907  0.901  1.0
  Fe  Fe5  1  0.524  0.093  0.401  1.0
  Fe  Fe6  1  0.024  0.407  0.599  1.0
  Fe  Fe7  1  0.476  0.593  0.099  1.0
  F  F8  1  0.405  0.851  0.258  1.0
  F  F9  1  0.790  0.721  0.076  1.0
  F  F10  1  0.453  0.926  0.582  1.0
  F  F11  1  0.827  0.005  0.349  1.0
  F  F12  1  0.673  0.995  0.849  1.0
  F  F13  1  0.047  0.074  0.082  1.0
  F  F14  1  0.710  0.279  0.576  1.0
  F  F15  1  0.095  0.149  0.758  1.0
  F  F16  1  0.595  0.351  0.242  1.0
  F  F17  1  0.210  0.221  0.424  1.0
  F  F18  1  0.547  0.426  0.918  1.0
  F  F19  1  0.173  0.505  0.151  1.0
  F  F20  1  0.327  0.495  0.651  1.0
  F  F21  1  0.953  0.574  0.418  1.0
  F  F22  1  0.290  0.779  0.924  1.0
  F  F23  1  0.905  0.649  0.742  1.0
[/CIF]
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The structure described by LiFeF4 is beta Vanadium nitride-derived structured and crystallizes in the orthorhombic P2_12_12_1 space group. Li(1) is bonded to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms to form distorted LiF6 octahedra that share corners with four equivalent Fe(1)F6 octahedra, edges with two equivalent Li(1)F6 octahedra, and edges with two equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 27-62°. Fe(1) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form FeF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Fe(1)F6 octahedra, and edges with two equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 27-62°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Fe(1) atoms. In the third F site, F(3) is bonded in a T-shaped geometry to two equivalent Li(1) and one Fe(1) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.782
_cell_length_b   5.952
_cell_length_c   8.500
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   292.523
_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  0.026  0.785  0.256  1.0
  Li  Li1  1  0.474  0.215  0.756  1.0
  Li  Li2  1  0.974  0.285  0.244  1.0
  Li  Li3  1  0.526  0.715  0.744  1.0
  Fe  Fe4  1  0.976  0.907  0.901  1.0
  Fe  Fe5  1  0.524  0.093  0.401  1.0
  Fe  Fe6  1  0.024  0.407  0.599  1.0
  Fe  Fe7  1  0.476  0.593  0.099  1.0
  F  F8  1  0.405  0.851  0.258  1.0
  F  F9  1  0.790  0.721  0.076  1.0
  F  F10  1  0.453  0.926  0.582  1.0
  F  F11  1  0.827  0.005  0.349  1.0
  F  F12  1  0.673  0.995  0.849  1.0
  F  F13  1  0.047  0.074  0.082  1.0
  F  F14  1  0.710  0.279  0.576  1.0
  F  F15  1  0.095  0.149  0.758  1.0
  F  F16  1  0.595  0.351  0.242  1.0
  F  F17  1  0.210  0.221  0.424  1.0
  F  F18  1  0.547  0.426  0.918  1.0
  F  F19  1  0.173  0.505  0.151  1.0
  F  F20  1  0.327  0.495  0.651  1.0
  F  F21  1  0.953  0.574  0.418  1.0
  F  F22  1  0.290  0.779  0.924  1.0
  F  F23  1  0.905  0.649  0.742  1.0
[/CIF]
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