The crystal structure described by Li2MnO2F is Caswellsilverite-derived structured and crystallizes in the orthorhombic Pnma space group. 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 Mn(1)O4F2 octahedra, corners with four equivalent Li(1)O4F2 octahedra, edges with five equivalent Mn(1)O4F2 octahedra, and edges with seven equivalent Li(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. 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 Mn(1)O4F2 octahedra, corners with four equivalent Li(1)O4F2 octahedra, edges with two equivalent Mn(1)O4F2 octahedra, and edges with ten equivalent Li(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. O(1) is bonded to four equivalent Li(1) 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 0-11°. F(1) is bonded to four equivalent Li(1) 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 0-3°. is represented by the CIF file [CIF]
data_Li2MnO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.846
_cell_length_b   4.585
_cell_length_c   5.130
_cell_angle_alpha   116.541
_cell_angle_beta   106.103
_cell_angle_gamma   90.007
_symmetry_Int_Tables_number   1
_cell_volume   56.933
_cell_formula_units_Z   1
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
  F  F0  1  1.000  1.000  0.500  1.0
  Li  Li1  1  0.323  0.823  0.146  1.0
  Li  Li2  1  0.677  0.177  0.854  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  O  O4  1  0.652  0.652  0.804  1.0
  O  O5  1  0.348  0.348  0.196  1.0
[/CIF]
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The crystal structure described by Li2MnO2F is Caswellsilverite-derived structured and crystallizes in the orthorhombic Pnma space group. 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 Mn(1)O4F2 octahedra, corners with four equivalent Li(1)O4F2 octahedra, edges with five equivalent Mn(1)O4F2 octahedra, and edges with seven equivalent Li(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. 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 Mn(1)O4F2 octahedra, corners with four equivalent Li(1)O4F2 octahedra, edges with two equivalent Mn(1)O4F2 octahedra, and edges with ten equivalent Li(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. O(1) is bonded to four equivalent Li(1) 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 0-11°. F(1) is bonded to four equivalent Li(1) 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 0-3°. is represented by the CIF file [CIF]
data_Li2MnO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.846
_cell_length_b   4.585
_cell_length_c   5.130
_cell_angle_alpha   116.541
_cell_angle_beta   106.103
_cell_angle_gamma   90.007
_symmetry_Int_Tables_number   1
_cell_volume   56.933
_cell_formula_units_Z   1
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
  F  F0  1  1.000  1.000  0.500  1.0
  Li  Li1  1  0.323  0.823  0.146  1.0
  Li  Li2  1  0.677  0.177  0.854  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  O  O4  1  0.652  0.652  0.804  1.0
  O  O5  1  0.348  0.348  0.196  1.0
[/CIF]
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