The compound described by LiMn2O2F3 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one F(1), one F(2), one F(3), and one F(4) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), two equivalent O(1), one F(2), one F(3), and one F(4) atom to form a mixture of distorted corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. In the second Mn site, Mn(2) is bonded to one O(1), two equivalent O(2), one F(1), one F(2), and one F(3) atom to form a mixture of distorted corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1) and two equivalent Mn(2) atoms to form corner-sharing FLi2Mn2 tetrahedra. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fourth F site, F(4) is bonded to two equivalent Li(1) and two equivalent Mn(1) atoms to form corner-sharing FLi2Mn2 tetrahedra. is represented by the CIF card [CIF]
data_LiMn2O2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.126
_cell_length_b   6.126
_cell_length_c   6.874
_cell_angle_alpha   72.113
_cell_angle_beta   72.113
_cell_angle_gamma   48.060
_symmetry_Int_Tables_number   1
_cell_volume   180.705
_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  0.492  0.514  0.751  1.0
  Li  Li1  1  0.486  0.508  0.249  1.0
  Mn  Mn2  1  0.786  0.843  0.612  1.0
  Mn  Mn3  1  0.838  0.788  0.113  1.0
  Mn  Mn4  1  0.157  0.214  0.388  1.0
  Mn  Mn5  1  0.212  0.162  0.887  1.0
  O  O6  1  0.984  0.624  0.377  1.0
  O  O7  1  0.621  0.983  0.879  1.0
  O  O8  1  0.376  0.016  0.623  1.0
  O  O9  1  0.017  0.379  0.121  1.0
  F  F10  1  0.217  0.783  0.000  1.0
  F  F11  1  0.587  0.174  0.195  1.0
  F  F12  1  0.173  0.587  0.694  1.0
  F  F13  1  0.826  0.413  0.805  1.0
  F  F14  1  0.413  0.827  0.306  1.0
  F  F15  1  0.787  0.213  0.500  1.0
[/CIF]
.
The compound described by LiMn2O2F3 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one F(1), one F(2), one F(3), and one F(4) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), two equivalent O(1), one F(2), one F(3), and one F(4) atom to form a mixture of distorted corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. In the second Mn site, Mn(2) is bonded to one O(1), two equivalent O(2), one F(1), one F(2), and one F(3) atom to form a mixture of distorted corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1) and two equivalent Mn(2) atoms to form corner-sharing FLi2Mn2 tetrahedra. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fourth F site, F(4) is bonded to two equivalent Li(1) and two equivalent Mn(1) atoms to form corner-sharing FLi2Mn2 tetrahedra. is represented by the CIF card [CIF]
data_LiMn2O2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.126
_cell_length_b   6.126
_cell_length_c   6.874
_cell_angle_alpha   72.113
_cell_angle_beta   72.113
_cell_angle_gamma   48.060
_symmetry_Int_Tables_number   1
_cell_volume   180.705
_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  0.492  0.514  0.751  1.0
  Li  Li1  1  0.486  0.508  0.249  1.0
  Mn  Mn2  1  0.786  0.843  0.612  1.0
  Mn  Mn3  1  0.838  0.788  0.113  1.0
  Mn  Mn4  1  0.157  0.214  0.388  1.0
  Mn  Mn5  1  0.212  0.162  0.887  1.0
  O  O6  1  0.984  0.624  0.377  1.0
  O  O7  1  0.621  0.983  0.879  1.0
  O  O8  1  0.376  0.016  0.623  1.0
  O  O9  1  0.017  0.379  0.121  1.0
  F  F10  1  0.217  0.783  0.000  1.0
  F  F11  1  0.587  0.174  0.195  1.0
  F  F12  1  0.173  0.587  0.694  1.0
  F  F13  1  0.826  0.413  0.805  1.0
  F  F14  1  0.413  0.827  0.306  1.0
  F  F15  1  0.787  0.213  0.500  1.0
[/CIF]
.