The compound described by Li2FeO2F is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form LiO4F2 octahedra that share corners with two equivalent Li(2)O4F2 octahedra, corners with four equivalent Fe(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with four equivalent Fe(1)O4F2 octahedra, and edges with six equivalent Li(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the second Li site, Li(2) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form LiO4F2 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with four equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with four equivalent Li(3)O4F2 octahedra, and edges with six equivalent Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the third Li site, Li(3) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form LiO4F2 octahedra that share corners with two equivalent Li(2)O4F2 octahedra, corners with four equivalent Fe(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with three equivalent Li(1)O4F2 octahedra, edges with three equivalent Li(3)O4F2 octahedra, and edges with four equivalent Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. Fe(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with four equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with three equivalent Li(2)O4F2 octahedra, edges with three equivalent Fe(1)O4F2 octahedra, and edges with four equivalent Li(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. O(1) is bonded to one Li(1), one Li(2), two equivalent Li(3), and two equivalent Fe(1) atoms to form OLi4Fe2 octahedra that share corners with two equivalent F(1)Li4Fe2 octahedra, corners with four equivalent O(1)Li4Fe2 octahedra, edges with five equivalent F(1)Li4Fe2 octahedra, and edges with seven equivalent O(1)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. F(1) is bonded to one Li(1), one Li(2), two equivalent Li(3), and two equivalent Fe(1) atoms to form FLi4Fe2 octahedra that share corners with two equivalent F(1)Li4Fe2 octahedra, corners with four equivalent O(1)Li4Fe2 octahedra, edges with two equivalent F(1)Li4Fe2 octahedra, and edges with ten equivalent O(1)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the CIF card [CIF]
data_Li2FeO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.212
_cell_length_b   5.212
_cell_length_c   5.146
_cell_angle_alpha   81.075
_cell_angle_beta   81.075
_cell_angle_gamma   120.691
_symmetry_Int_Tables_number   1
_cell_volume   114.139
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Li  Li2  1  0.327  0.673  0.000  1.0
  Li  Li3  1  0.673  0.327  0.000  1.0
  Fe  Fe4  1  0.189  0.811  0.500  1.0
  Fe  Fe5  1  0.811  0.189  0.500  1.0
  O  O6  1  0.414  0.070  0.733  1.0
  O  O7  1  0.930  0.586  0.267  1.0
  O  O8  1  0.586  0.930  0.267  1.0
  O  O9  1  0.070  0.414  0.733  1.0
  F  F10  1  0.762  0.762  0.746  1.0
  F  F11  1  0.238  0.238  0.254  1.0
[/CIF]
.
The compound described by Li2FeO2F is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form LiO4F2 octahedra that share corners with two equivalent Li(2)O4F2 octahedra, corners with four equivalent Fe(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with four equivalent Fe(1)O4F2 octahedra, and edges with six equivalent Li(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the second Li site, Li(2) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form LiO4F2 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with four equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with four equivalent Li(3)O4F2 octahedra, and edges with six equivalent Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the third Li site, Li(3) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form LiO4F2 octahedra that share corners with two equivalent Li(2)O4F2 octahedra, corners with four equivalent Fe(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with three equivalent Li(1)O4F2 octahedra, edges with three equivalent Li(3)O4F2 octahedra, and edges with four equivalent Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. Fe(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with four equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with three equivalent Li(2)O4F2 octahedra, edges with three equivalent Fe(1)O4F2 octahedra, and edges with four equivalent Li(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. O(1) is bonded to one Li(1), one Li(2), two equivalent Li(3), and two equivalent Fe(1) atoms to form OLi4Fe2 octahedra that share corners with two equivalent F(1)Li4Fe2 octahedra, corners with four equivalent O(1)Li4Fe2 octahedra, edges with five equivalent F(1)Li4Fe2 octahedra, and edges with seven equivalent O(1)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. F(1) is bonded to one Li(1), one Li(2), two equivalent Li(3), and two equivalent Fe(1) atoms to form FLi4Fe2 octahedra that share corners with two equivalent F(1)Li4Fe2 octahedra, corners with four equivalent O(1)Li4Fe2 octahedra, edges with two equivalent F(1)Li4Fe2 octahedra, and edges with ten equivalent O(1)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the CIF card [CIF]
data_Li2FeO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.212
_cell_length_b   5.212
_cell_length_c   5.146
_cell_angle_alpha   81.075
_cell_angle_beta   81.075
_cell_angle_gamma   120.691
_symmetry_Int_Tables_number   1
_cell_volume   114.139
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Li  Li2  1  0.327  0.673  0.000  1.0
  Li  Li3  1  0.673  0.327  0.000  1.0
  Fe  Fe4  1  0.189  0.811  0.500  1.0
  Fe  Fe5  1  0.811  0.189  0.500  1.0
  O  O6  1  0.414  0.070  0.733  1.0
  O  O7  1  0.930  0.586  0.267  1.0
  O  O8  1  0.586  0.930  0.267  1.0
  O  O9  1  0.070  0.414  0.733  1.0
  F  F10  1  0.762  0.762  0.746  1.0
  F  F11  1  0.238  0.238  0.254  1.0
[/CIF]
.