The material described by Li8Mn(O2F)2 crystallizes in the triclinic P-1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), and one F(2) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with three equivalent Li(7)O2F2 tetrahedra, corners with three equivalent Li(2)O3F tetrahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Li(8)O2F2 tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra, and  an edgeedge with one Li(6)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 29-55°. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), and one F(2) atom to form LiO3F tetrahedra that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with three equivalent Li(7)O2F2 tetrahedra, corners with three equivalent Li(1)O3F tetrahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Li(8)O2F2 tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra, and  an edgeedge with one Li(6)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 14-52°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with three equivalent Li(8)O2F2 tetrahedra, corners with three equivalent Li(6)O3F tetrahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Li(7)O2F2 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 14-56°. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(3) atoms. In the sixth Li site, Li(6) is bonded to one O(1), one O(2), one O(4), and one F(1) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with three equivalent Li(8)O2F2 tetrahedra, corners with three equivalent Li(3)O3F tetrahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Li(7)O2F2 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 19-54°. In the seventh Li site, Li(7) is bonded to one O(3), one O(4), one F(1), and one F(2) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(2)O3F tetrahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Li(8)O2F2 tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra, and  an edgeedge with one Li(6)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 23-54°. In the eighth Li site, Li(8) is bonded to one O(1), one O(2), one F(1), and one F(2) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with three equivalent Li(3)O3F tetrahedra, corners with three equivalent Li(6)O3F tetrahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Li(7)O2F2 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 32-50°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with two equivalent Li(7)O2F2 tetrahedra, corners with two equivalent Li(8)O2F2 tetrahedra, corners with two equivalent Li(1)O3F tetrahedra, corners with two equivalent Li(2)O3F tetrahedra, corners with two equivalent Li(3)O3F tetrahedra, corners with two equivalent Li(6)O3F tetrahedra, edges with two equivalent Li(8)O2F2 tetrahedra, edges with two equivalent Li(3)O3F tetrahedra, and edges with two equivalent Li(6)O3F tetrahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent F(2) atoms to form MnO4F2 octahedra that share corners with two equivalent Li(7)O2F2 tetrahedra, corners with two equivalent Li(8)O2F2 tetrahedra, corners with two equivalent Li(1)O3F tetrahedra, corners with two equivalent Li(2)O3F tetrahedra, corners with two equivalent Li(3)O3F tetrahedra, corners with two equivalent Li(6)O3F tetrahedra, edges with two equivalent Li(7)O2F2 tetrahedra, edges with two equivalent Li(1)O3F tetrahedra, and edges with two equivalent Li(2)O3F tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), one Li(6), one Li(8), two equivalent Li(4), and one Mn(1) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(2), one Li(3), one Li(6), one Li(8), two equivalent Li(4), and one Mn(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(7), two equivalent Li(5), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OLi6Mn pentagonal bipyramids. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(5), one Li(6), one Li(7), and one Mn(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 5-coordinate geometry to one Li(3), one Li(6), one Li(7), one Li(8), and one Mn(1) atom. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(7), one Li(8), and one Mn(2) atom. is represented by the CIF card [CIF]
data_Li8Mn(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.567
_cell_length_b   5.574
_cell_length_c   11.089
_cell_angle_alpha   75.937
_cell_angle_beta   76.159
_cell_angle_gamma   60.095
_symmetry_Int_Tables_number   1
_cell_volume   286.520
_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  0.224  0.888  0.323  1.0
  Li  Li1  1  0.428  0.794  0.686  1.0
  Li  Li2  1  0.588  0.933  0.185  1.0
  Li  Li3  1  0.582  0.728  0.992  1.0
  Li  Li4  1  0.763  0.813  0.513  1.0
  Li  Li5  1  0.689  0.409  0.819  1.0
  Li  Li6  1  0.910  0.574  0.329  1.0
  Li  Li7  1  0.054  0.724  0.830  1.0
  Li  Li8  1  0.946  0.276  0.170  1.0
  Li  Li9  1  0.090  0.426  0.671  1.0
  Li  Li10  1  0.311  0.591  0.181  1.0
  Li  Li11  1  0.418  0.272  0.008  1.0
  Li  Li12  1  0.237  0.187  0.487  1.0
  Li  Li13  1  0.412  0.067  0.815  1.0
  Li  Li14  1  0.572  0.206  0.314  1.0
  Li  Li15  1  0.776  0.112  0.677  1.0
  Mn  Mn16  1  0.000  0.000  0.000  1.0
  Mn  Mn17  1  0.500  0.500  0.500  1.0
  O  O18  1  0.286  0.960  0.119  1.0
  O  O19  1  0.358  0.732  0.876  1.0
  O  O20  1  0.540  0.867  0.380  1.0
  O  O21  1  0.764  0.471  0.623  1.0
  O  O22  1  0.236  0.529  0.377  1.0
  O  O23  1  0.460  0.133  0.620  1.0
  O  O24  1  0.642  0.268  0.124  1.0
  O  O25  1  0.714  0.040  0.881  1.0
  F  F26  1  0.960  0.617  0.145  1.0
  F  F27  1  0.112  0.779  0.643  1.0
  F  F28  1  0.888  0.221  0.357  1.0
  F  F29  1  0.040  0.383  0.855  1.0
[/CIF]
.
The material described by Li8Mn(O2F)2 crystallizes in the triclinic P-1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), and one F(2) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with three equivalent Li(7)O2F2 tetrahedra, corners with three equivalent Li(2)O3F tetrahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Li(8)O2F2 tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra, and  an edgeedge with one Li(6)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 29-55°. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), and one F(2) atom to form LiO3F tetrahedra that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with three equivalent Li(7)O2F2 tetrahedra, corners with three equivalent Li(1)O3F tetrahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Li(8)O2F2 tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra, and  an edgeedge with one Li(6)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 14-52°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with three equivalent Li(8)O2F2 tetrahedra, corners with three equivalent Li(6)O3F tetrahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Li(7)O2F2 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 14-56°. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(3) atoms. In the sixth Li site, Li(6) is bonded to one O(1), one O(2), one O(4), and one F(1) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with three equivalent Li(8)O2F2 tetrahedra, corners with three equivalent Li(3)O3F tetrahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Li(7)O2F2 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 19-54°. In the seventh Li site, Li(7) is bonded to one O(3), one O(4), one F(1), and one F(2) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(2)O3F tetrahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Li(8)O2F2 tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra, and  an edgeedge with one Li(6)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 23-54°. In the eighth Li site, Li(8) is bonded to one O(1), one O(2), one F(1), and one F(2) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with three equivalent Li(3)O3F tetrahedra, corners with three equivalent Li(6)O3F tetrahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Li(7)O2F2 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 32-50°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with two equivalent Li(7)O2F2 tetrahedra, corners with two equivalent Li(8)O2F2 tetrahedra, corners with two equivalent Li(1)O3F tetrahedra, corners with two equivalent Li(2)O3F tetrahedra, corners with two equivalent Li(3)O3F tetrahedra, corners with two equivalent Li(6)O3F tetrahedra, edges with two equivalent Li(8)O2F2 tetrahedra, edges with two equivalent Li(3)O3F tetrahedra, and edges with two equivalent Li(6)O3F tetrahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent F(2) atoms to form MnO4F2 octahedra that share corners with two equivalent Li(7)O2F2 tetrahedra, corners with two equivalent Li(8)O2F2 tetrahedra, corners with two equivalent Li(1)O3F tetrahedra, corners with two equivalent Li(2)O3F tetrahedra, corners with two equivalent Li(3)O3F tetrahedra, corners with two equivalent Li(6)O3F tetrahedra, edges with two equivalent Li(7)O2F2 tetrahedra, edges with two equivalent Li(1)O3F tetrahedra, and edges with two equivalent Li(2)O3F tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), one Li(6), one Li(8), two equivalent Li(4), and one Mn(1) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(2), one Li(3), one Li(6), one Li(8), two equivalent Li(4), and one Mn(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(7), two equivalent Li(5), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OLi6Mn pentagonal bipyramids. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(5), one Li(6), one Li(7), and one Mn(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 5-coordinate geometry to one Li(3), one Li(6), one Li(7), one Li(8), and one Mn(1) atom. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(7), one Li(8), and one Mn(2) atom. is represented by the CIF card [CIF]
data_Li8Mn(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.567
_cell_length_b   5.574
_cell_length_c   11.089
_cell_angle_alpha   75.937
_cell_angle_beta   76.159
_cell_angle_gamma   60.095
_symmetry_Int_Tables_number   1
_cell_volume   286.520
_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  0.224  0.888  0.323  1.0
  Li  Li1  1  0.428  0.794  0.686  1.0
  Li  Li2  1  0.588  0.933  0.185  1.0
  Li  Li3  1  0.582  0.728  0.992  1.0
  Li  Li4  1  0.763  0.813  0.513  1.0
  Li  Li5  1  0.689  0.409  0.819  1.0
  Li  Li6  1  0.910  0.574  0.329  1.0
  Li  Li7  1  0.054  0.724  0.830  1.0
  Li  Li8  1  0.946  0.276  0.170  1.0
  Li  Li9  1  0.090  0.426  0.671  1.0
  Li  Li10  1  0.311  0.591  0.181  1.0
  Li  Li11  1  0.418  0.272  0.008  1.0
  Li  Li12  1  0.237  0.187  0.487  1.0
  Li  Li13  1  0.412  0.067  0.815  1.0
  Li  Li14  1  0.572  0.206  0.314  1.0
  Li  Li15  1  0.776  0.112  0.677  1.0
  Mn  Mn16  1  0.000  0.000  0.000  1.0
  Mn  Mn17  1  0.500  0.500  0.500  1.0
  O  O18  1  0.286  0.960  0.119  1.0
  O  O19  1  0.358  0.732  0.876  1.0
  O  O20  1  0.540  0.867  0.380  1.0
  O  O21  1  0.764  0.471  0.623  1.0
  O  O22  1  0.236  0.529  0.377  1.0
  O  O23  1  0.460  0.133  0.620  1.0
  O  O24  1  0.642  0.268  0.124  1.0
  O  O25  1  0.714  0.040  0.881  1.0
  F  F26  1  0.960  0.617  0.145  1.0
  F  F27  1  0.112  0.779  0.643  1.0
  F  F28  1  0.888  0.221  0.357  1.0
  F  F29  1  0.040  0.383  0.855  1.0
[/CIF]
.