The compound described by Li2FeF5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one F(2), one F(3), one F(4), and two equivalent F(1) atoms to form distorted LiF5 square pyramids that share corners with four equivalent Fe(1)F7 pentagonal bipyramids, corners with two equivalent Li(1)F5 square pyramids,  an edgeedge with one Fe(1)F7 pentagonal bipyramid, and edges with three equivalent Li(1)F5 square pyramids. Fe(1) is bonded to one F(1), one F(2), one F(4), and four equivalent F(3) atoms to form distorted FeF7 pentagonal bipyramids that share corners with eight equivalent Li(1)F5 square pyramids, edges with two equivalent Fe(1)F7 pentagonal bipyramids, and edges with two equivalent Li(1)F5 square pyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded to four equivalent Li(1) and one Fe(1) atom to form distorted edge-sharing FLi4Fe trigonal bipyramids. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Fe(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Fe(1) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2FeF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.199
_cell_length_b   6.390
_cell_length_c   8.900
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   352.586
_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  0.982  0.556  0.654  1.0
  Li  Li1  1  0.518  0.556  0.654  1.0
  Li  Li2  1  0.518  0.944  0.154  1.0
  Li  Li3  1  0.982  0.944  0.154  1.0
  Li  Li4  1  0.482  0.056  0.846  1.0
  Li  Li5  1  0.018  0.056  0.846  1.0
  Li  Li6  1  0.018  0.444  0.346  1.0
  Li  Li7  1  0.482  0.444  0.346  1.0
  Fe  Fe8  1  0.750  0.420  0.001  1.0
  Fe  Fe9  1  0.750  0.080  0.501  1.0
  Fe  Fe10  1  0.250  0.920  0.499  1.0
  Fe  Fe11  1  0.250  0.580  0.999  1.0
  F  F12  1  0.750  0.416  0.510  1.0
  F  F13  1  0.250  0.441  0.197  1.0
  F  F14  1  0.044  0.332  0.939  1.0
  F  F15  1  0.456  0.332  0.939  1.0
  F  F16  1  0.750  0.381  0.217  1.0
  F  F17  1  0.750  0.119  0.717  1.0
  F  F18  1  0.456  0.168  0.439  1.0
  F  F19  1  0.044  0.168  0.439  1.0
  F  F20  1  0.250  0.059  0.697  1.0
  F  F21  1  0.750  0.084  0.010  1.0
  F  F22  1  0.250  0.916  0.990  1.0
  F  F23  1  0.750  0.941  0.303  1.0
  F  F24  1  0.544  0.832  0.561  1.0
  F  F25  1  0.956  0.832  0.561  1.0
  F  F26  1  0.250  0.881  0.283  1.0
  F  F27  1  0.250  0.619  0.783  1.0
  F  F28  1  0.956  0.668  0.061  1.0
  F  F29  1  0.544  0.668  0.061  1.0
  F  F30  1  0.750  0.559  0.803  1.0
  F  F31  1  0.250  0.584  0.490  1.0
[/CIF]
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The compound described by Li2FeF5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one F(2), one F(3), one F(4), and two equivalent F(1) atoms to form distorted LiF5 square pyramids that share corners with four equivalent Fe(1)F7 pentagonal bipyramids, corners with two equivalent Li(1)F5 square pyramids,  an edgeedge with one Fe(1)F7 pentagonal bipyramid, and edges with three equivalent Li(1)F5 square pyramids. Fe(1) is bonded to one F(1), one F(2), one F(4), and four equivalent F(3) atoms to form distorted FeF7 pentagonal bipyramids that share corners with eight equivalent Li(1)F5 square pyramids, edges with two equivalent Fe(1)F7 pentagonal bipyramids, and edges with two equivalent Li(1)F5 square pyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded to four equivalent Li(1) and one Fe(1) atom to form distorted edge-sharing FLi4Fe trigonal bipyramids. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Fe(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Fe(1) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2FeF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.199
_cell_length_b   6.390
_cell_length_c   8.900
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   352.586
_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  0.982  0.556  0.654  1.0
  Li  Li1  1  0.518  0.556  0.654  1.0
  Li  Li2  1  0.518  0.944  0.154  1.0
  Li  Li3  1  0.982  0.944  0.154  1.0
  Li  Li4  1  0.482  0.056  0.846  1.0
  Li  Li5  1  0.018  0.056  0.846  1.0
  Li  Li6  1  0.018  0.444  0.346  1.0
  Li  Li7  1  0.482  0.444  0.346  1.0
  Fe  Fe8  1  0.750  0.420  0.001  1.0
  Fe  Fe9  1  0.750  0.080  0.501  1.0
  Fe  Fe10  1  0.250  0.920  0.499  1.0
  Fe  Fe11  1  0.250  0.580  0.999  1.0
  F  F12  1  0.750  0.416  0.510  1.0
  F  F13  1  0.250  0.441  0.197  1.0
  F  F14  1  0.044  0.332  0.939  1.0
  F  F15  1  0.456  0.332  0.939  1.0
  F  F16  1  0.750  0.381  0.217  1.0
  F  F17  1  0.750  0.119  0.717  1.0
  F  F18  1  0.456  0.168  0.439  1.0
  F  F19  1  0.044  0.168  0.439  1.0
  F  F20  1  0.250  0.059  0.697  1.0
  F  F21  1  0.750  0.084  0.010  1.0
  F  F22  1  0.250  0.916  0.990  1.0
  F  F23  1  0.750  0.941  0.303  1.0
  F  F24  1  0.544  0.832  0.561  1.0
  F  F25  1  0.956  0.832  0.561  1.0
  F  F26  1  0.250  0.881  0.283  1.0
  F  F27  1  0.250  0.619  0.783  1.0
  F  F28  1  0.956  0.668  0.061  1.0
  F  F29  1  0.544  0.668  0.061  1.0
  F  F30  1  0.750  0.559  0.803  1.0
  F  F31  1  0.250  0.584  0.490  1.0
[/CIF]
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