The material structure described by LiMn2O2F3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form LiO2F4 octahedra that share corners with two equivalent Li(1)O2F4 octahedra, corners with six equivalent Mn(1)O3F3 octahedra, and edges with four equivalent Mn(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-58°. Mn(1) is bonded to three equivalent O(1), one F(1), and two equivalent F(2) atoms to form MnO3F3 octahedra that share corners with three equivalent Li(1)O2F4 octahedra, corners with four equivalent Mn(1)O3F3 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra, edges with two equivalent Li(1)O2F4 octahedra, and  a faceface with one Mn(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. O(1) is bonded to one Li(1) and three equivalent Mn(1) atoms to form a mixture of corner and edge-sharing OLiMn3 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_LiMn2O2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.468
_cell_length_b   5.809
_cell_length_c   7.146
_cell_angle_alpha   69.757
_cell_angle_beta   90.000
_cell_angle_gamma   61.924
_symmetry_Int_Tables_number   1
_cell_volume   184.193
_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  1.000  0.500  1.0
  Li  Li1  1  0.000  1.000  0.000  1.0
  Mn  Mn2  1  0.393  0.231  0.798  1.0
  Mn  Mn3  1  0.376  0.231  0.298  1.0
  Mn  Mn4  1  0.624  0.769  0.702  1.0
  Mn  Mn5  1  0.607  0.769  0.202  1.0
  O  O6  1  0.709  0.841  0.937  1.0
  O  O7  1  0.450  0.841  0.437  1.0
  O  O8  1  0.550  0.159  0.563  1.0
  O  O9  1  0.291  0.159  0.062  1.0
  F  F10  1  0.180  1.000  0.750  1.0
  F  F11  1  0.820  1.000  0.250  1.0
  F  F12  1  0.063  0.602  0.662  1.0
  F  F13  1  0.665  0.397  0.838  1.0
  F  F14  1  0.335  0.603  0.162  1.0
  F  F15  1  0.937  0.398  0.338  1.0
[/CIF]
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The material structure described by LiMn2O2F3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form LiO2F4 octahedra that share corners with two equivalent Li(1)O2F4 octahedra, corners with six equivalent Mn(1)O3F3 octahedra, and edges with four equivalent Mn(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-58°. Mn(1) is bonded to three equivalent O(1), one F(1), and two equivalent F(2) atoms to form MnO3F3 octahedra that share corners with three equivalent Li(1)O2F4 octahedra, corners with four equivalent Mn(1)O3F3 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra, edges with two equivalent Li(1)O2F4 octahedra, and  a faceface with one Mn(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. O(1) is bonded to one Li(1) and three equivalent Mn(1) atoms to form a mixture of corner and edge-sharing OLiMn3 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_LiMn2O2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.468
_cell_length_b   5.809
_cell_length_c   7.146
_cell_angle_alpha   69.757
_cell_angle_beta   90.000
_cell_angle_gamma   61.924
_symmetry_Int_Tables_number   1
_cell_volume   184.193
_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  1.000  0.500  1.0
  Li  Li1  1  0.000  1.000  0.000  1.0
  Mn  Mn2  1  0.393  0.231  0.798  1.0
  Mn  Mn3  1  0.376  0.231  0.298  1.0
  Mn  Mn4  1  0.624  0.769  0.702  1.0
  Mn  Mn5  1  0.607  0.769  0.202  1.0
  O  O6  1  0.709  0.841  0.937  1.0
  O  O7  1  0.450  0.841  0.437  1.0
  O  O8  1  0.550  0.159  0.563  1.0
  O  O9  1  0.291  0.159  0.062  1.0
  F  F10  1  0.180  1.000  0.750  1.0
  F  F11  1  0.820  1.000  0.250  1.0
  F  F12  1  0.063  0.602  0.662  1.0
  F  F13  1  0.665  0.397  0.838  1.0
  F  F14  1  0.335  0.603  0.162  1.0
  F  F15  1  0.937  0.398  0.338  1.0
[/CIF]
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