The material structure described by Li2Mn4OF8 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(2), one F(5), and one F(7) atom to form LiF4 tetrahedra that share corners with two equivalent Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 59-61°. In the second Li site, Li(2) is bonded to one F(3), one F(4), one F(6), and one F(8) atom to form LiF4 trigonal pyramids that share corners with three equivalent Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(1), one F(2), one F(3), one F(4), one F(5), and one F(8) atom. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), one F(2), one F(6), and two equivalent F(7) atoms. In the third Mn site, Mn(3) is bonded to one O(1), one F(3), one F(6), one F(8), and two equivalent F(1) atoms to form distorted MnOF5 octahedra that share corners with two equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)F4 trigonal pyramids, and  an edgeedge with one Mn(3)OF5 octahedra. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one O(1), one F(3), one F(4), one F(5), one F(7), and one F(8) atom. O(1) is bonded in a tetrahedral geometry to one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(3) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(2), one Mn(1), one Mn(3), and one Mn(4) atom. In the fourth F site, F(4) is bonded in a trigonal non-coplanar geometry to one Li(2), one Mn(1), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(4) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Li(2), one Mn(2), and one Mn(3) atom. In the seventh F site, F(7) is bonded in a 4-coordinate geometry to one Li(1), one Mn(4), and two equivalent Mn(2) atoms. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Li(2), one Mn(1), one Mn(3), and one Mn(4) atom. is represented by the CIF card [CIF]
data_Li2Mn4OF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.065
_cell_length_b   8.082
_cell_length_c   8.745
_cell_angle_alpha   69.182
_cell_angle_beta   66.551
_cell_angle_gamma   79.520
_symmetry_Int_Tables_number   1
_cell_volume   427.720
_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  0.239  0.235  0.632  1.0
  Li  Li1  1  0.393  0.733  0.090  1.0
  Li  Li2  1  0.607  0.267  0.910  1.0
  Li  Li3  1  0.761  0.765  0.368  1.0
  Mn  Mn4  1  0.672  0.406  0.249  1.0
  Mn  Mn5  1  0.209  0.901  0.454  1.0
  Mn  Mn6  1  0.938  0.875  0.919  1.0
  Mn  Mn7  1  0.864  0.597  0.766  1.0
  Mn  Mn8  1  0.136  0.403  0.234  1.0
  Mn  Mn9  1  0.062  0.125  0.081  1.0
  Mn  Mn10  1  0.791  0.099  0.546  1.0
  Mn  Mn11  1  0.328  0.594  0.751  1.0
  O  O12  1  0.080  0.773  0.717  1.0
  O  O13  1  0.920  0.227  0.283  1.0
  F  F14  1  0.834  0.940  0.148  1.0
  F  F15  1  0.477  0.762  0.480  1.0
  F  F16  1  0.771  0.344  0.003  1.0
  F  F17  1  0.367  0.500  0.269  1.0
  F  F18  1  0.150  0.439  0.702  1.0
  F  F19  1  0.260  0.913  0.200  1.0
  F  F20  1  0.152  0.162  0.481  1.0
  F  F21  1  0.313  0.302  0.011  1.0
  F  F22  1  0.687  0.698  0.989  1.0
  F  F23  1  0.848  0.838  0.519  1.0
  F  F24  1  0.740  0.087  0.800  1.0
  F  F25  1  0.850  0.561  0.298  1.0
  F  F26  1  0.633  0.500  0.731  1.0
  F  F27  1  0.229  0.656  0.997  1.0
  F  F28  1  0.523  0.238  0.520  1.0
  F  F29  1  0.166  0.060  0.852  1.0
[/CIF]
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The material structure described by Li2Mn4OF8 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(2), one F(5), and one F(7) atom to form LiF4 tetrahedra that share corners with two equivalent Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 59-61°. In the second Li site, Li(2) is bonded to one F(3), one F(4), one F(6), and one F(8) atom to form LiF4 trigonal pyramids that share corners with three equivalent Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(1), one F(2), one F(3), one F(4), one F(5), and one F(8) atom. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), one F(2), one F(6), and two equivalent F(7) atoms. In the third Mn site, Mn(3) is bonded to one O(1), one F(3), one F(6), one F(8), and two equivalent F(1) atoms to form distorted MnOF5 octahedra that share corners with two equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)F4 trigonal pyramids, and  an edgeedge with one Mn(3)OF5 octahedra. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one O(1), one F(3), one F(4), one F(5), one F(7), and one F(8) atom. O(1) is bonded in a tetrahedral geometry to one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(3) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(2), one Mn(1), one Mn(3), and one Mn(4) atom. In the fourth F site, F(4) is bonded in a trigonal non-coplanar geometry to one Li(2), one Mn(1), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(4) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Li(2), one Mn(2), and one Mn(3) atom. In the seventh F site, F(7) is bonded in a 4-coordinate geometry to one Li(1), one Mn(4), and two equivalent Mn(2) atoms. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Li(2), one Mn(1), one Mn(3), and one Mn(4) atom. is represented by the CIF card [CIF]
data_Li2Mn4OF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.065
_cell_length_b   8.082
_cell_length_c   8.745
_cell_angle_alpha   69.182
_cell_angle_beta   66.551
_cell_angle_gamma   79.520
_symmetry_Int_Tables_number   1
_cell_volume   427.720
_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  0.239  0.235  0.632  1.0
  Li  Li1  1  0.393  0.733  0.090  1.0
  Li  Li2  1  0.607  0.267  0.910  1.0
  Li  Li3  1  0.761  0.765  0.368  1.0
  Mn  Mn4  1  0.672  0.406  0.249  1.0
  Mn  Mn5  1  0.209  0.901  0.454  1.0
  Mn  Mn6  1  0.938  0.875  0.919  1.0
  Mn  Mn7  1  0.864  0.597  0.766  1.0
  Mn  Mn8  1  0.136  0.403  0.234  1.0
  Mn  Mn9  1  0.062  0.125  0.081  1.0
  Mn  Mn10  1  0.791  0.099  0.546  1.0
  Mn  Mn11  1  0.328  0.594  0.751  1.0
  O  O12  1  0.080  0.773  0.717  1.0
  O  O13  1  0.920  0.227  0.283  1.0
  F  F14  1  0.834  0.940  0.148  1.0
  F  F15  1  0.477  0.762  0.480  1.0
  F  F16  1  0.771  0.344  0.003  1.0
  F  F17  1  0.367  0.500  0.269  1.0
  F  F18  1  0.150  0.439  0.702  1.0
  F  F19  1  0.260  0.913  0.200  1.0
  F  F20  1  0.152  0.162  0.481  1.0
  F  F21  1  0.313  0.302  0.011  1.0
  F  F22  1  0.687  0.698  0.989  1.0
  F  F23  1  0.848  0.838  0.519  1.0
  F  F24  1  0.740  0.087  0.800  1.0
  F  F25  1  0.850  0.561  0.298  1.0
  F  F26  1  0.633  0.500  0.731  1.0
  F  F27  1  0.229  0.656  0.997  1.0
  F  F28  1  0.523  0.238  0.520  1.0
  F  F29  1  0.166  0.060  0.852  1.0
[/CIF]
.