The crystal structure described by Li2FeO2F is Caswellsilverite-derived structured and crystallizes in the monoclinic Cc space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, corners with two equivalent Fe(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Fe(1)O4F2 octahedra, edges with three equivalent Li(3)O4F2 octahedra, and edges with three equivalent Fe(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Fe(1)O4F2 octahedra, corners with two equivalent Fe(2)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Fe(1)O4F2 octahedra, edges with two equivalent Fe(2)O4F2 octahedra, edges with three equivalent Li(3)O4F2 octahedra, and edges with three equivalent Li(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-18°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share corners with two equivalent Li(4)O4F2 octahedra, corners with two equivalent Fe(1)O4F2 octahedra, corners with two equivalent Fe(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Fe(1)O4F2 octahedra, edges with two equivalent Fe(2)O4F2 octahedra, edges with three equivalent Li(1)O4F2 octahedra, and edges with three equivalent Li(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(3)O4F2 octahedra, corners with two equivalent Fe(2)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Fe(2)O4F2 octahedra, edges with three equivalent Li(2)O4F2 octahedra, and edges with three equivalent Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form FeO4F2 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with three equivalent Li(4)O4F2 octahedra, and edges with three equivalent Fe(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form FeO4F2 octahedra that share corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(3)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with three equivalent Li(1)O4F2 octahedra, and edges with three equivalent Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-18°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(1), and one Fe(2) atom to form OLi4Fe2 octahedra that share corners with two equivalent O(2)Li4Fe2 octahedra, corners with two equivalent O(4)Li4Fe2 octahedra, corners with two equivalent F(1)Li4Fe2 octahedra, edges with two equivalent O(2)Li4Fe2 octahedra, edges with two equivalent O(4)Li4Fe2 octahedra, edges with two equivalent F(1)Li4Fe2 octahedra, edges with three equivalent O(3)Li4Fe2 octahedra, and edges with three equivalent F(2)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(1), and one Fe(2) atom to form OLi4Fe2 octahedra that share corners with two equivalent O(1)Li4Fe2 octahedra, corners with two equivalent O(3)Li4Fe2 octahedra, corners with two equivalent F(1)Li4Fe2 octahedra, edges with two equivalent O(1)Li4Fe2 octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, edges with two equivalent F(1)Li4Fe2 octahedra, edges with three equivalent O(4)Li4Fe2 octahedra, and edges with three equivalent F(2)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 3-19°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(1), and one Fe(2) atom to form OLi4Fe2 octahedra that share corners with two equivalent O(2)Li4Fe2 octahedra, corners with two equivalent O(4)Li4Fe2 octahedra, corners with two equivalent F(2)Li4Fe2 octahedra, edges with two equivalent O(2)Li4Fe2 octahedra, edges with two equivalent O(4)Li4Fe2 octahedra, edges with two equivalent F(2)Li4Fe2 octahedra, edges with three equivalent O(1)Li4Fe2 octahedra, and edges with three equivalent F(1)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 3-19°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(1), and one Fe(2) atom to form OLi4Fe2 octahedra that share corners with two equivalent O(1)Li4Fe2 octahedra, corners with two equivalent O(3)Li4Fe2 octahedra, corners with two equivalent F(2)Li4Fe2 octahedra, edges with two equivalent O(1)Li4Fe2 octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, edges with two equivalent F(2)Li4Fe2 octahedra, edges with three equivalent O(2)Li4Fe2 octahedra, and edges with three equivalent F(1)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(1), and one Fe(2) atom to form FLi4Fe2 octahedra that share corners with two equivalent O(1)Li4Fe2 octahedra, corners with two equivalent O(2)Li4Fe2 octahedra, corners with two equivalent F(2)Li4Fe2 octahedra, edges with two equivalent O(1)Li4Fe2 octahedra, edges with two equivalent O(2)Li4Fe2 octahedra, edges with two equivalent F(2)Li4Fe2 octahedra, edges with three equivalent O(3)Li4Fe2 octahedra, and edges with three equivalent O(4)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(1), and one Fe(2) atom to form FLi4Fe2 octahedra that share corners with two equivalent O(3)Li4Fe2 octahedra, corners with two equivalent O(4)Li4Fe2 octahedra, corners with two equivalent F(1)Li4Fe2 octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, edges with two equivalent O(4)Li4Fe2 octahedra, edges with two equivalent F(1)Li4Fe2 octahedra, edges with three equivalent O(1)Li4Fe2 octahedra, and edges with three equivalent O(2)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. is represented by the CIF file [CIF]
data_Li2FeO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.158
_cell_length_b   5.158
_cell_length_c   9.552
_cell_angle_alpha   79.614
_cell_angle_beta   79.614
_cell_angle_gamma   109.280
_symmetry_Int_Tables_number   1
_cell_volume   227.932
_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  0.369  0.116  0.274  1.0
  Li  Li1  1  0.116  0.369  0.774  1.0
  Li  Li2  1  0.811  0.048  0.394  1.0
  Li  Li3  1  0.957  0.205  0.088  1.0
  Li  Li4  1  0.048  0.811  0.894  1.0
  Li  Li5  1  0.205  0.957  0.588  1.0
  Li  Li6  1  0.869  0.617  0.260  1.0
  Li  Li7  1  0.617  0.869  0.760  1.0
  Fe  Fe8  1  0.459  0.709  0.080  1.0
  Fe  Fe9  1  0.303  0.554  0.394  1.0
  Fe  Fe10  1  0.709  0.459  0.580  1.0
  Fe  Fe11  1  0.554  0.303  0.894  1.0
  O  O12  1  0.608  0.865  0.245  1.0
  O  O13  1  0.528  0.313  0.430  1.0
  O  O14  1  0.041  0.759  0.429  1.0
  O  O15  1  0.865  0.608  0.745  1.0
  O  O16  1  0.148  0.389  0.245  1.0
  O  O17  1  0.313  0.528  0.930  1.0
  O  O18  1  0.759  0.041  0.929  1.0
  O  O19  1  0.389  0.148  0.745  1.0
  F  F20  1  0.202  0.949  0.080  1.0
  F  F21  1  0.715  0.468  0.081  1.0
  F  F22  1  0.949  0.202  0.580  1.0
  F  F23  1  0.468  0.715  0.581  1.0
[/CIF]
.
The crystal structure described by Li2FeO2F is Caswellsilverite-derived structured and crystallizes in the monoclinic Cc space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, corners with two equivalent Fe(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Fe(1)O4F2 octahedra, edges with three equivalent Li(3)O4F2 octahedra, and edges with three equivalent Fe(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Fe(1)O4F2 octahedra, corners with two equivalent Fe(2)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Fe(1)O4F2 octahedra, edges with two equivalent Fe(2)O4F2 octahedra, edges with three equivalent Li(3)O4F2 octahedra, and edges with three equivalent Li(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-18°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share corners with two equivalent Li(4)O4F2 octahedra, corners with two equivalent Fe(1)O4F2 octahedra, corners with two equivalent Fe(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Fe(1)O4F2 octahedra, edges with two equivalent Fe(2)O4F2 octahedra, edges with three equivalent Li(1)O4F2 octahedra, and edges with three equivalent Li(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(3)O4F2 octahedra, corners with two equivalent Fe(2)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Fe(2)O4F2 octahedra, edges with three equivalent Li(2)O4F2 octahedra, and edges with three equivalent Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form FeO4F2 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with three equivalent Li(4)O4F2 octahedra, and edges with three equivalent Fe(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form FeO4F2 octahedra that share corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(3)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with three equivalent Li(1)O4F2 octahedra, and edges with three equivalent Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-18°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(1), and one Fe(2) atom to form OLi4Fe2 octahedra that share corners with two equivalent O(2)Li4Fe2 octahedra, corners with two equivalent O(4)Li4Fe2 octahedra, corners with two equivalent F(1)Li4Fe2 octahedra, edges with two equivalent O(2)Li4Fe2 octahedra, edges with two equivalent O(4)Li4Fe2 octahedra, edges with two equivalent F(1)Li4Fe2 octahedra, edges with three equivalent O(3)Li4Fe2 octahedra, and edges with three equivalent F(2)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(1), and one Fe(2) atom to form OLi4Fe2 octahedra that share corners with two equivalent O(1)Li4Fe2 octahedra, corners with two equivalent O(3)Li4Fe2 octahedra, corners with two equivalent F(1)Li4Fe2 octahedra, edges with two equivalent O(1)Li4Fe2 octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, edges with two equivalent F(1)Li4Fe2 octahedra, edges with three equivalent O(4)Li4Fe2 octahedra, and edges with three equivalent F(2)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 3-19°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(1), and one Fe(2) atom to form OLi4Fe2 octahedra that share corners with two equivalent O(2)Li4Fe2 octahedra, corners with two equivalent O(4)Li4Fe2 octahedra, corners with two equivalent F(2)Li4Fe2 octahedra, edges with two equivalent O(2)Li4Fe2 octahedra, edges with two equivalent O(4)Li4Fe2 octahedra, edges with two equivalent F(2)Li4Fe2 octahedra, edges with three equivalent O(1)Li4Fe2 octahedra, and edges with three equivalent F(1)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 3-19°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(1), and one Fe(2) atom to form OLi4Fe2 octahedra that share corners with two equivalent O(1)Li4Fe2 octahedra, corners with two equivalent O(3)Li4Fe2 octahedra, corners with two equivalent F(2)Li4Fe2 octahedra, edges with two equivalent O(1)Li4Fe2 octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, edges with two equivalent F(2)Li4Fe2 octahedra, edges with three equivalent O(2)Li4Fe2 octahedra, and edges with three equivalent F(1)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(1), and one Fe(2) atom to form FLi4Fe2 octahedra that share corners with two equivalent O(1)Li4Fe2 octahedra, corners with two equivalent O(2)Li4Fe2 octahedra, corners with two equivalent F(2)Li4Fe2 octahedra, edges with two equivalent O(1)Li4Fe2 octahedra, edges with two equivalent O(2)Li4Fe2 octahedra, edges with two equivalent F(2)Li4Fe2 octahedra, edges with three equivalent O(3)Li4Fe2 octahedra, and edges with three equivalent O(4)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(1), and one Fe(2) atom to form FLi4Fe2 octahedra that share corners with two equivalent O(3)Li4Fe2 octahedra, corners with two equivalent O(4)Li4Fe2 octahedra, corners with two equivalent F(1)Li4Fe2 octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, edges with two equivalent O(4)Li4Fe2 octahedra, edges with two equivalent F(1)Li4Fe2 octahedra, edges with three equivalent O(1)Li4Fe2 octahedra, and edges with three equivalent O(2)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. is represented by the CIF file [CIF]
data_Li2FeO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.158
_cell_length_b   5.158
_cell_length_c   9.552
_cell_angle_alpha   79.614
_cell_angle_beta   79.614
_cell_angle_gamma   109.280
_symmetry_Int_Tables_number   1
_cell_volume   227.932
_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  0.369  0.116  0.274  1.0
  Li  Li1  1  0.116  0.369  0.774  1.0
  Li  Li2  1  0.811  0.048  0.394  1.0
  Li  Li3  1  0.957  0.205  0.088  1.0
  Li  Li4  1  0.048  0.811  0.894  1.0
  Li  Li5  1  0.205  0.957  0.588  1.0
  Li  Li6  1  0.869  0.617  0.260  1.0
  Li  Li7  1  0.617  0.869  0.760  1.0
  Fe  Fe8  1  0.459  0.709  0.080  1.0
  Fe  Fe9  1  0.303  0.554  0.394  1.0
  Fe  Fe10  1  0.709  0.459  0.580  1.0
  Fe  Fe11  1  0.554  0.303  0.894  1.0
  O  O12  1  0.608  0.865  0.245  1.0
  O  O13  1  0.528  0.313  0.430  1.0
  O  O14  1  0.041  0.759  0.429  1.0
  O  O15  1  0.865  0.608  0.745  1.0
  O  O16  1  0.148  0.389  0.245  1.0
  O  O17  1  0.313  0.528  0.930  1.0
  O  O18  1  0.759  0.041  0.929  1.0
  O  O19  1  0.389  0.148  0.745  1.0
  F  F20  1  0.202  0.949  0.080  1.0
  F  F21  1  0.715  0.468  0.081  1.0
  F  F22  1  0.949  0.202  0.580  1.0
  F  F23  1  0.468  0.715  0.581  1.0
[/CIF]
.