The compound described by Li2MnO2F is beta Polonium-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 Mn(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with four equivalent Mn(1)O4F2 octahedra, and edges with six equivalent Li(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. 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 Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. 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 Mn(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 Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. Mn(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form MnO4F2 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 Mn(1)O4F2 octahedra, and edges with four equivalent Li(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. O(1) is bonded to one Li(1), one Li(2), two equivalent Li(3), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share corners with two equivalent F(1)Li4Mn2 octahedra, corners with four equivalent O(1)Li4Mn2 octahedra, edges with five equivalent F(1)Li4Mn2 octahedra, and edges with seven equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. F(1) is bonded to one Li(1), one Li(2), two equivalent Li(3), and two equivalent Mn(1) atoms to form FLi4Mn2 octahedra that share corners with two equivalent F(1)Li4Mn2 octahedra, corners with four equivalent O(1)Li4Mn2 octahedra, edges with two equivalent F(1)Li4Mn2 octahedra, and edges with ten equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.236
_cell_length_b   5.236
_cell_length_c   5.082
_cell_angle_alpha   82.463
_cell_angle_beta   82.463
_cell_angle_gamma   121.838
_symmetry_Int_Tables_number   1
_cell_volume   113.961
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.000  0.000  0.000  1.0
  Li  Li2  1  0.820  0.180  0.500  1.0
  Li  Li3  1  0.180  0.820  0.500  1.0
  Mn  Mn4  1  0.681  0.319  0.000  1.0
  Mn  Mn5  1  0.319  0.681  0.000  1.0
  O  O6  1  0.436  0.091  0.766  1.0
  O  O7  1  0.909  0.564  0.234  1.0
  O  O8  1  0.564  0.909  0.234  1.0
  O  O9  1  0.091  0.436  0.766  1.0
  F  F10  1  0.745  0.745  0.751  1.0
  F  F11  1  0.255  0.255  0.249  1.0
[/CIF]
.
The compound described by Li2MnO2F is beta Polonium-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 Mn(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with four equivalent Mn(1)O4F2 octahedra, and edges with six equivalent Li(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. 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 Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. 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 Mn(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 Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. Mn(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form MnO4F2 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 Mn(1)O4F2 octahedra, and edges with four equivalent Li(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. O(1) is bonded to one Li(1), one Li(2), two equivalent Li(3), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share corners with two equivalent F(1)Li4Mn2 octahedra, corners with four equivalent O(1)Li4Mn2 octahedra, edges with five equivalent F(1)Li4Mn2 octahedra, and edges with seven equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. F(1) is bonded to one Li(1), one Li(2), two equivalent Li(3), and two equivalent Mn(1) atoms to form FLi4Mn2 octahedra that share corners with two equivalent F(1)Li4Mn2 octahedra, corners with four equivalent O(1)Li4Mn2 octahedra, edges with two equivalent F(1)Li4Mn2 octahedra, and edges with ten equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.236
_cell_length_b   5.236
_cell_length_c   5.082
_cell_angle_alpha   82.463
_cell_angle_beta   82.463
_cell_angle_gamma   121.838
_symmetry_Int_Tables_number   1
_cell_volume   113.961
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.000  0.000  0.000  1.0
  Li  Li2  1  0.820  0.180  0.500  1.0
  Li  Li3  1  0.180  0.820  0.500  1.0
  Mn  Mn4  1  0.681  0.319  0.000  1.0
  Mn  Mn5  1  0.319  0.681  0.000  1.0
  O  O6  1  0.436  0.091  0.766  1.0
  O  O7  1  0.909  0.564  0.234  1.0
  O  O8  1  0.564  0.909  0.234  1.0
  O  O9  1  0.091  0.436  0.766  1.0
  F  F10  1  0.745  0.745  0.751  1.0
  F  F11  1  0.255  0.255  0.249  1.0
[/CIF]
.