The material structure described by Li7Fe(O2F)2 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(5), one F(1), one F(2), and one F(4) atom. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one Fe(2), one O(1), one O(3), one O(4), and one O(7) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(3), one O(6), one F(1), and one F(4) atom. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one O(2), one O(5), and one F(2) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(3), one O(6), one F(1), and one F(2) atom. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one O(4), one O(5), and one F(3) atom. In the seventh Li site, Li(7) is bonded in a distorted linear geometry to one O(3), one O(7), and one O(8) atom. In the eighth Li site, Li(8) is bonded in a 3-coordinate geometry to one O(2), one O(4), one O(5), and one F(4) atom. In the ninth Li site, Li(9) is bonded in a 2-coordinate geometry to one O(3), one O(8), and one F(1) atom. In the tenth Li site, Li(10) is bonded in a 1-coordinate geometry to one O(4) and one F(3) atom. In the eleventh Li site, Li(11) is bonded in a 2-coordinate geometry to one O(1), one O(3), and one O(8) atom. In the twelfth Li site, Li(12) is bonded in a 3-coordinate geometry to one O(5), one F(1), one F(2), and one F(4) atom. In the thirteenth Li site, Li(13) is bonded in a 2-coordinate geometry to one O(1), one O(4), one O(7), and one O(8) atom. In the fourteenth Li site, Li(14) is bonded in a 2-coordinate geometry to one O(1) and one O(4) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 1-coordinate geometry to one O(1), one O(2), one O(4), and one O(5) atom. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one Li(2), one O(3), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(11), one Li(13), one Li(14), one Li(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(4), one Li(8), and one Fe(1) atom. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(11), one Li(2), one Li(3), one Li(5), one Li(7), one Li(9), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(10), one Li(13), one Li(14), one Li(2), one Li(6), one Li(8), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(1), one Li(12), one Li(4), one Li(6), one Li(8), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Li(5), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(13), one Li(2), one Li(7), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(11), one Li(13), one Li(7), one Li(9), and one Fe(2) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal bipyramidal geometry to one Li(1), one Li(12), one Li(3), one Li(5), and one Li(9) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(12), one Li(4), and one Li(5) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Li(10) and one Li(6) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(12), one Li(3), and one Li(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7Fe(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.527
_cell_length_b   5.895
_cell_length_c   9.945
_cell_angle_alpha   105.444
_cell_angle_beta   88.293
_cell_angle_gamma   117.461
_symmetry_Int_Tables_number   1
_cell_volume   275.489
_cell_formula_units_Z   2
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  0.024  0.928  0.773  1.0
  Li  Li1  1  0.497  0.395  0.249  1.0
  Li  Li2  1  0.535  0.057  0.618  1.0
  Li  Li3  1  0.968  0.442  0.881  1.0
  Li  Li4  1  0.024  0.738  0.558  1.0
  Li  Li5  1  0.536  0.331  0.044  1.0
  Li  Li6  1  0.986  0.656  0.324  1.0
  Li  Li7  1  0.468  0.722  0.942  1.0
  Li  Li8  1  0.968  0.212  0.459  1.0
  Li  Li9  1  0.009  0.525  0.122  1.0
  Li  Li10  1  0.495  0.995  0.385  1.0
  Li  Li11  1  0.438  0.531  0.732  1.0
  Li  Li12  1  0.027  0.120  0.250  1.0
  Li  Li13  1  0.521  0.851  0.176  1.0
  Fe  Fe14  1  0.061  0.982  0.023  1.0
  Fe  Fe15  1  0.496  0.545  0.456  1.0
  O  O16  1  0.301  0.053  0.197  1.0
  O  O17  1  0.168  0.774  0.961  1.0
  O  O18  1  0.676  0.328  0.446  1.0
  O  O19  1  0.735  0.671  0.112  1.0
  O  O20  1  0.243  0.325  0.900  1.0
  O  O21  1  0.331  0.690  0.536  1.0
  O  O22  1  0.214  0.463  0.298  1.0
  O  O23  1  0.787  0.877  0.380  1.0
  F  F24  1  0.207  0.099  0.611  1.0
  F  F25  1  0.799  0.569  0.708  1.0
  F  F26  1  0.806  0.205  0.066  1.0
  F  F27  1  0.681  0.914  0.793  1.0
[/CIF]
.
The material structure described by Li7Fe(O2F)2 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(5), one F(1), one F(2), and one F(4) atom. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one Fe(2), one O(1), one O(3), one O(4), and one O(7) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(3), one O(6), one F(1), and one F(4) atom. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one O(2), one O(5), and one F(2) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(3), one O(6), one F(1), and one F(2) atom. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one O(4), one O(5), and one F(3) atom. In the seventh Li site, Li(7) is bonded in a distorted linear geometry to one O(3), one O(7), and one O(8) atom. In the eighth Li site, Li(8) is bonded in a 3-coordinate geometry to one O(2), one O(4), one O(5), and one F(4) atom. In the ninth Li site, Li(9) is bonded in a 2-coordinate geometry to one O(3), one O(8), and one F(1) atom. In the tenth Li site, Li(10) is bonded in a 1-coordinate geometry to one O(4) and one F(3) atom. In the eleventh Li site, Li(11) is bonded in a 2-coordinate geometry to one O(1), one O(3), and one O(8) atom. In the twelfth Li site, Li(12) is bonded in a 3-coordinate geometry to one O(5), one F(1), one F(2), and one F(4) atom. In the thirteenth Li site, Li(13) is bonded in a 2-coordinate geometry to one O(1), one O(4), one O(7), and one O(8) atom. In the fourteenth Li site, Li(14) is bonded in a 2-coordinate geometry to one O(1) and one O(4) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 1-coordinate geometry to one O(1), one O(2), one O(4), and one O(5) atom. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one Li(2), one O(3), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(11), one Li(13), one Li(14), one Li(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(4), one Li(8), and one Fe(1) atom. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(11), one Li(2), one Li(3), one Li(5), one Li(7), one Li(9), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(10), one Li(13), one Li(14), one Li(2), one Li(6), one Li(8), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(1), one Li(12), one Li(4), one Li(6), one Li(8), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Li(5), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(13), one Li(2), one Li(7), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(11), one Li(13), one Li(7), one Li(9), and one Fe(2) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal bipyramidal geometry to one Li(1), one Li(12), one Li(3), one Li(5), and one Li(9) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(12), one Li(4), and one Li(5) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Li(10) and one Li(6) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(12), one Li(3), and one Li(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7Fe(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.527
_cell_length_b   5.895
_cell_length_c   9.945
_cell_angle_alpha   105.444
_cell_angle_beta   88.293
_cell_angle_gamma   117.461
_symmetry_Int_Tables_number   1
_cell_volume   275.489
_cell_formula_units_Z   2
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  0.024  0.928  0.773  1.0
  Li  Li1  1  0.497  0.395  0.249  1.0
  Li  Li2  1  0.535  0.057  0.618  1.0
  Li  Li3  1  0.968  0.442  0.881  1.0
  Li  Li4  1  0.024  0.738  0.558  1.0
  Li  Li5  1  0.536  0.331  0.044  1.0
  Li  Li6  1  0.986  0.656  0.324  1.0
  Li  Li7  1  0.468  0.722  0.942  1.0
  Li  Li8  1  0.968  0.212  0.459  1.0
  Li  Li9  1  0.009  0.525  0.122  1.0
  Li  Li10  1  0.495  0.995  0.385  1.0
  Li  Li11  1  0.438  0.531  0.732  1.0
  Li  Li12  1  0.027  0.120  0.250  1.0
  Li  Li13  1  0.521  0.851  0.176  1.0
  Fe  Fe14  1  0.061  0.982  0.023  1.0
  Fe  Fe15  1  0.496  0.545  0.456  1.0
  O  O16  1  0.301  0.053  0.197  1.0
  O  O17  1  0.168  0.774  0.961  1.0
  O  O18  1  0.676  0.328  0.446  1.0
  O  O19  1  0.735  0.671  0.112  1.0
  O  O20  1  0.243  0.325  0.900  1.0
  O  O21  1  0.331  0.690  0.536  1.0
  O  O22  1  0.214  0.463  0.298  1.0
  O  O23  1  0.787  0.877  0.380  1.0
  F  F24  1  0.207  0.099  0.611  1.0
  F  F25  1  0.799  0.569  0.708  1.0
  F  F26  1  0.806  0.205  0.066  1.0
  F  F27  1  0.681  0.914  0.793  1.0
[/CIF]
.