The compound described by LiFe2F5 crystallizes in the monoclinic C2/c 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(2)F5 trigonal bipyramids. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one F(3), one F(4), one F(5), and two equivalent F(2) atoms. In the second Fe site, Fe(2) is bonded to one F(3), one F(4), one F(5), and two equivalent F(1) atoms to form FeF5 trigonal bipyramids that share corners with four equivalent Li(1)F4 tetrahedra and  an edgeedge with one Fe(2)F5 trigonal bipyramid. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Fe(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent Fe(1) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one Fe(2) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one Fe(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Fe(1) and one Fe(2) atom. is represented by the CIF card [CIF]
data_LiFe2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.853
_cell_length_b   7.853
_cell_length_c   10.025
_cell_angle_alpha   65.367
_cell_angle_beta   65.367
_cell_angle_gamma   51.304
_symmetry_Int_Tables_number   1
_cell_volume   427.814
_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  0.705  0.926  0.313  1.0
  Li  Li1  1  0.074  0.295  0.187  1.0
  Li  Li2  1  0.926  0.705  0.813  1.0
  Li  Li3  1  0.295  0.074  0.687  1.0
  Fe  Fe4  1  0.774  0.525  0.634  1.0
  Fe  Fe5  1  0.154  0.731  0.003  1.0
  Fe  Fe6  1  0.269  0.846  0.497  1.0
  Fe  Fe7  1  0.525  0.774  0.134  1.0
  Fe  Fe8  1  0.475  0.226  0.866  1.0
  Fe  Fe9  1  0.731  0.154  0.503  1.0
  Fe  Fe10  1  0.846  0.269  0.997  1.0
  Fe  Fe11  1  0.226  0.475  0.366  1.0
  F  F12  1  0.892  0.964  0.133  1.0
  F  F13  1  0.115  0.284  0.548  1.0
  F  F14  1  0.434  0.808  0.625  1.0
  F  F15  1  0.157  0.469  0.197  1.0
  F  F16  1  0.531  0.843  0.303  1.0
  F  F17  1  0.614  0.338  0.905  1.0
  F  F18  1  0.662  0.386  0.595  1.0
  F  F19  1  0.036  0.108  0.367  1.0
  F  F20  1  0.284  0.115  0.048  1.0
  F  F21  1  0.192  0.566  0.875  1.0
  F  F22  1  0.808  0.434  0.125  1.0
  F  F23  1  0.716  0.885  0.952  1.0
  F  F24  1  0.964  0.892  0.633  1.0
  F  F25  1  0.338  0.614  0.405  1.0
  F  F26  1  0.386  0.662  0.095  1.0
  F  F27  1  0.469  0.157  0.697  1.0
  F  F28  1  0.843  0.531  0.803  1.0
  F  F29  1  0.566  0.192  0.375  1.0
  F  F30  1  0.885  0.716  0.452  1.0
  F  F31  1  0.108  0.036  0.867  1.0
[/CIF]
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The compound described by LiFe2F5 crystallizes in the monoclinic C2/c 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(2)F5 trigonal bipyramids. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one F(3), one F(4), one F(5), and two equivalent F(2) atoms. In the second Fe site, Fe(2) is bonded to one F(3), one F(4), one F(5), and two equivalent F(1) atoms to form FeF5 trigonal bipyramids that share corners with four equivalent Li(1)F4 tetrahedra and  an edgeedge with one Fe(2)F5 trigonal bipyramid. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Fe(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent Fe(1) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one Fe(2) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one Fe(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Fe(1) and one Fe(2) atom. is represented by the CIF card [CIF]
data_LiFe2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.853
_cell_length_b   7.853
_cell_length_c   10.025
_cell_angle_alpha   65.367
_cell_angle_beta   65.367
_cell_angle_gamma   51.304
_symmetry_Int_Tables_number   1
_cell_volume   427.814
_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  0.705  0.926  0.313  1.0
  Li  Li1  1  0.074  0.295  0.187  1.0
  Li  Li2  1  0.926  0.705  0.813  1.0
  Li  Li3  1  0.295  0.074  0.687  1.0
  Fe  Fe4  1  0.774  0.525  0.634  1.0
  Fe  Fe5  1  0.154  0.731  0.003  1.0
  Fe  Fe6  1  0.269  0.846  0.497  1.0
  Fe  Fe7  1  0.525  0.774  0.134  1.0
  Fe  Fe8  1  0.475  0.226  0.866  1.0
  Fe  Fe9  1  0.731  0.154  0.503  1.0
  Fe  Fe10  1  0.846  0.269  0.997  1.0
  Fe  Fe11  1  0.226  0.475  0.366  1.0
  F  F12  1  0.892  0.964  0.133  1.0
  F  F13  1  0.115  0.284  0.548  1.0
  F  F14  1  0.434  0.808  0.625  1.0
  F  F15  1  0.157  0.469  0.197  1.0
  F  F16  1  0.531  0.843  0.303  1.0
  F  F17  1  0.614  0.338  0.905  1.0
  F  F18  1  0.662  0.386  0.595  1.0
  F  F19  1  0.036  0.108  0.367  1.0
  F  F20  1  0.284  0.115  0.048  1.0
  F  F21  1  0.192  0.566  0.875  1.0
  F  F22  1  0.808  0.434  0.125  1.0
  F  F23  1  0.716  0.885  0.952  1.0
  F  F24  1  0.964  0.892  0.633  1.0
  F  F25  1  0.338  0.614  0.405  1.0
  F  F26  1  0.386  0.662  0.095  1.0
  F  F27  1  0.469  0.157  0.697  1.0
  F  F28  1  0.843  0.531  0.803  1.0
  F  F29  1  0.566  0.192  0.375  1.0
  F  F30  1  0.885  0.716  0.452  1.0
  F  F31  1  0.108  0.036  0.867  1.0
[/CIF]
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