The crystal structure described by Li8Mn(O2F)2 crystallizes in the orthorhombic Cmc2_1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(5)O3F tetrahedra, corners with two equivalent Mn(1)O2F2 tetrahedra, corners with six equivalent Li(4)O3F tetrahedra, edges with two equivalent Li(3)O2F2 tetrahedra, and edges with two equivalent Li(5)O3F tetrahedra. In the second Li site, Li(2) is bonded in a distorted trigonal planar geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the third Li site, Li(3) is bonded to one O(1), one O(2), and two equivalent F(1) atoms to form LiO2F2 tetrahedra that share corners with three equivalent Li(3)O2F2 tetrahedra, corners with three equivalent Mn(1)O2F2 tetrahedra, corners with four equivalent Li(5)O3F tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and edges with two equivalent Li(4)O3F tetrahedra. In the fourth Li site, Li(4) is bonded to one O(3), two equivalent O(2), and one F(1) atom to form LiO3F tetrahedra that share corners with two equivalent Mn(1)O2F2 tetrahedra, corners with three equivalent Li(4)O3F tetrahedra, corners with three equivalent Li(5)O3F tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, edges with two equivalent Li(3)O2F2 tetrahedra, and edges with two equivalent Li(5)O3F tetrahedra. In the fifth Li site, Li(5) is bonded to one O(3), two equivalent O(2), and one F(1) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with three equivalent Li(4)O3F tetrahedra, corners with three equivalent Li(5)O3F tetrahedra, corners with four equivalent Li(3)O2F2 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Mn(1)O2F2 tetrahedra, and edges with two equivalent Li(4)O3F tetrahedra. Mn(1) is bonded to one O(1), one O(3), and two equivalent F(1) atoms to form MnO2F2 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(4)O3F tetrahedra, corners with six equivalent Li(3)O2F2 tetrahedra, and edges with two equivalent Li(5)O3F tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), two equivalent Li(3), and one Mn(1) atom to form OLi4Mn trigonal bipyramids that share corners with six equivalent F(1)Li4Mn trigonal bipyramids. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(3), two equivalent Li(4), and two equivalent Li(5) atoms. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), two equivalent Li(4), two equivalent Li(5), and one Mn(1) atom. F(1) is bonded to one Li(4), one Li(5), two equivalent Li(3), and one Mn(1) atom to form FLi4Mn trigonal bipyramids that share corners with three equivalent O(1)Li4Mn trigonal bipyramids and corners with three equivalent F(1)Li4Mn trigonal bipyramids. is represented by the CIF file [CIF]
data_Li8Mn(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.685
_cell_length_b   5.685
_cell_length_c   10.882
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.478
_symmetry_Int_Tables_number   1
_cell_volume   306.190
_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  0.687  0.687  0.274  1.0
  Li  Li1  1  0.592  0.592  0.628  1.0
  Li  Li2  1  0.408  0.408  0.128  1.0
  Li  Li3  1  0.313  0.313  0.774  1.0
  Li  Li4  1  0.332  0.655  0.903  1.0
  Li  Li5  1  0.345  0.668  0.403  1.0
  Li  Li6  1  0.002  0.306  0.263  1.0
  Li  Li7  1  0.008  0.385  0.639  1.0
  Li  Li8  1  0.992  0.615  0.139  1.0
  Li  Li9  1  0.694  0.998  0.763  1.0
  Li  Li10  1  0.998  0.694  0.763  1.0
  Li  Li11  1  0.615  0.992  0.139  1.0
  Li  Li12  1  0.668  0.345  0.403  1.0
  Li  Li13  1  0.655  0.332  0.903  1.0
  Li  Li14  1  0.385  0.008  0.639  1.0
  Li  Li15  1  0.306  0.002  0.263  1.0
  Mn  Mn16  1  0.974  0.974  0.500  1.0
  Mn  Mn17  1  0.026  0.026  0.000  1.0
  O  O18  1  0.650  0.650  0.451  1.0
  O  O19  1  0.350  0.350  0.951  1.0
  O  O20  1  0.334  0.674  0.719  1.0
  O  O21  1  0.016  0.016  0.685  1.0
  O  O22  1  0.326  0.666  0.219  1.0
  O  O23  1  0.984  0.984  0.185  1.0
  O  O24  1  0.666  0.326  0.219  1.0
  O  O25  1  0.674  0.334  0.719  1.0
  F  F26  1  0.004  0.352  0.450  1.0
  F  F27  1  0.648  0.996  0.950  1.0
  F  F28  1  0.996  0.648  0.950  1.0
  F  F29  1  0.352  0.004  0.450  1.0
[/CIF]
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The crystal structure described by Li8Mn(O2F)2 crystallizes in the orthorhombic Cmc2_1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(5)O3F tetrahedra, corners with two equivalent Mn(1)O2F2 tetrahedra, corners with six equivalent Li(4)O3F tetrahedra, edges with two equivalent Li(3)O2F2 tetrahedra, and edges with two equivalent Li(5)O3F tetrahedra. In the second Li site, Li(2) is bonded in a distorted trigonal planar geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the third Li site, Li(3) is bonded to one O(1), one O(2), and two equivalent F(1) atoms to form LiO2F2 tetrahedra that share corners with three equivalent Li(3)O2F2 tetrahedra, corners with three equivalent Mn(1)O2F2 tetrahedra, corners with four equivalent Li(5)O3F tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and edges with two equivalent Li(4)O3F tetrahedra. In the fourth Li site, Li(4) is bonded to one O(3), two equivalent O(2), and one F(1) atom to form LiO3F tetrahedra that share corners with two equivalent Mn(1)O2F2 tetrahedra, corners with three equivalent Li(4)O3F tetrahedra, corners with three equivalent Li(5)O3F tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, edges with two equivalent Li(3)O2F2 tetrahedra, and edges with two equivalent Li(5)O3F tetrahedra. In the fifth Li site, Li(5) is bonded to one O(3), two equivalent O(2), and one F(1) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with three equivalent Li(4)O3F tetrahedra, corners with three equivalent Li(5)O3F tetrahedra, corners with four equivalent Li(3)O2F2 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Mn(1)O2F2 tetrahedra, and edges with two equivalent Li(4)O3F tetrahedra. Mn(1) is bonded to one O(1), one O(3), and two equivalent F(1) atoms to form MnO2F2 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(4)O3F tetrahedra, corners with six equivalent Li(3)O2F2 tetrahedra, and edges with two equivalent Li(5)O3F tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), two equivalent Li(3), and one Mn(1) atom to form OLi4Mn trigonal bipyramids that share corners with six equivalent F(1)Li4Mn trigonal bipyramids. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(3), two equivalent Li(4), and two equivalent Li(5) atoms. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), two equivalent Li(4), two equivalent Li(5), and one Mn(1) atom. F(1) is bonded to one Li(4), one Li(5), two equivalent Li(3), and one Mn(1) atom to form FLi4Mn trigonal bipyramids that share corners with three equivalent O(1)Li4Mn trigonal bipyramids and corners with three equivalent F(1)Li4Mn trigonal bipyramids. is represented by the CIF file [CIF]
data_Li8Mn(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.685
_cell_length_b   5.685
_cell_length_c   10.882
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.478
_symmetry_Int_Tables_number   1
_cell_volume   306.190
_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  0.687  0.687  0.274  1.0
  Li  Li1  1  0.592  0.592  0.628  1.0
  Li  Li2  1  0.408  0.408  0.128  1.0
  Li  Li3  1  0.313  0.313  0.774  1.0
  Li  Li4  1  0.332  0.655  0.903  1.0
  Li  Li5  1  0.345  0.668  0.403  1.0
  Li  Li6  1  0.002  0.306  0.263  1.0
  Li  Li7  1  0.008  0.385  0.639  1.0
  Li  Li8  1  0.992  0.615  0.139  1.0
  Li  Li9  1  0.694  0.998  0.763  1.0
  Li  Li10  1  0.998  0.694  0.763  1.0
  Li  Li11  1  0.615  0.992  0.139  1.0
  Li  Li12  1  0.668  0.345  0.403  1.0
  Li  Li13  1  0.655  0.332  0.903  1.0
  Li  Li14  1  0.385  0.008  0.639  1.0
  Li  Li15  1  0.306  0.002  0.263  1.0
  Mn  Mn16  1  0.974  0.974  0.500  1.0
  Mn  Mn17  1  0.026  0.026  0.000  1.0
  O  O18  1  0.650  0.650  0.451  1.0
  O  O19  1  0.350  0.350  0.951  1.0
  O  O20  1  0.334  0.674  0.719  1.0
  O  O21  1  0.016  0.016  0.685  1.0
  O  O22  1  0.326  0.666  0.219  1.0
  O  O23  1  0.984  0.984  0.185  1.0
  O  O24  1  0.666  0.326  0.219  1.0
  O  O25  1  0.674  0.334  0.719  1.0
  F  F26  1  0.004  0.352  0.450  1.0
  F  F27  1  0.648  0.996  0.950  1.0
  F  F28  1  0.996  0.648  0.950  1.0
  F  F29  1  0.352  0.004  0.450  1.0
[/CIF]
.