The compound described by Li2Mn2F7 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one F(1), one F(2), one F(3), one F(5), and one F(7) atom. In the second Li site, Li(2) is bonded to one F(10), one F(2), one F(4), one F(7), and two equivalent F(6) atoms to form distorted corner-sharing LiF6 octahedra. The corner-sharing octahedral tilt angles are 43°. In the third Li site, Li(3) is bonded to one F(11), one F(12), one F(14), one F(3), one F(8), and one F(9) atom to form distorted LiF6 octahedra that share  a cornercorner with one Mn(1)F6 octahedra and  an edgeedge with one Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles are 32°. In the fourth Li site, Li(4) is bonded in a distorted see-saw-like geometry to one F(13), one F(14), one F(4), and one F(9) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(12), one F(3), one F(5), one F(8), and two equivalent F(1) atoms to form MnF6 octahedra that share  a cornercorner with one Li(3)F6 octahedra, corners with two equivalent Mn(1)F6 octahedra, and  an edgeedge with one Li(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 32-56°. In the second Mn site, Mn(2) is bonded in a 7-coordinate geometry to one F(10), one F(2), one F(4), one F(6), one F(9), and two equivalent F(13) atoms. In the third Mn site, Mn(3) is bonded in a 7-coordinate geometry to one F(10), one F(11), one F(13), one F(14), one F(2), one F(6), and one F(7) atom. In the fourth Mn site, Mn(4) is bonded in a 7-coordinate geometry to one F(11), one F(14), one F(5), one F(7), one F(8), and two equivalent F(12) atoms. There are fourteen 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(1) atoms. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(2), and one Mn(3) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one Mn(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(2), one Li(4), and one Mn(2) atom. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one Mn(4) atom. In the sixth F site, F(6) is bonded to two equivalent Li(2), one Mn(2), and one Mn(3) atom to form a mixture of distorted corner and edge-sharing FLi2Mn2 trigonal pyramids. In the seventh F site, F(7) is bonded to one Li(1), one Li(2), one Mn(3), and one Mn(4) atom to form a mixture of distorted corner and edge-sharing FLi2Mn2 trigonal pyramids. In the eighth F site, F(8) is bonded in a distorted bent 150 degrees geometry to one Li(3), one Mn(1), and one Mn(4) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Li(3), one Li(4), and one Mn(2) atom. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to one Li(2), one Mn(2), and one Mn(3) atom. In the eleventh F site, F(11) is bonded in a distorted T-shaped geometry to one Li(3), one Mn(3), and one Mn(4) atom. In the twelfth F site, F(12) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(1), and two equivalent Mn(4) atoms. In the thirteenth F site, F(13) is bonded in a 2-coordinate geometry to one Li(4), one Mn(3), and two equivalent Mn(2) atoms. In the fourteenth F site, F(14) is bonded to one Li(3), one Li(4), one Mn(3), and one Mn(4) atom to form a mixture of distorted corner and edge-sharing FLi2Mn2 tetrahedra. is represented by the CIF file [CIF]
data_Li2Mn2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.031
_cell_length_b   7.811
_cell_length_c   12.936
_cell_angle_alpha   78.394
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   497.897
_cell_formula_units_Z   4
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  0.240  0.971  0.306  1.0
  Li  Li1  1  0.755  0.997  0.118  1.0
  Li  Li2  1  0.781  0.605  0.687  1.0
  Li  Li3  1  0.283  0.568  0.849  1.0
  Li  Li4  1  0.783  0.432  0.151  1.0
  Li  Li5  1  0.281  0.395  0.313  1.0
  Li  Li6  1  0.255  0.003  0.882  1.0
  Li  Li7  1  0.740  0.029  0.694  1.0
  Mn  Mn8  1  0.345  0.816  0.540  1.0
  Mn  Mn9  1  0.773  0.731  0.944  1.0
  Mn  Mn10  1  0.222  0.747  0.154  1.0
  Mn  Mn11  1  0.805  0.634  0.374  1.0
  Mn  Mn12  1  0.305  0.366  0.626  1.0
  Mn  Mn13  1  0.722  0.253  0.846  1.0
  Mn  Mn14  1  0.273  0.269  0.056  1.0
  Mn  Mn15  1  0.845  0.184  0.460  1.0
  F  F16  1  0.557  0.953  0.433  1.0
  F  F17  1  0.400  0.022  0.170  1.0
  F  F18  1  0.595  0.835  0.645  1.0
  F  F19  1  0.439  0.782  0.873  1.0
  F  F20  1  0.092  0.799  0.436  1.0
  F  F21  1  0.033  0.903  0.027  1.0
  F  F22  1  0.937  0.858  0.244  1.0
  F  F23  1  0.130  0.667  0.635  1.0
  F  F24  1  0.912  0.626  0.833  1.0
  F  F25  1  0.577  0.734  0.072  1.0
  F  F26  1  0.441  0.665  0.294  1.0
  F  F27  1  0.569  0.587  0.524  1.0
  F  F28  1  0.519  0.427  0.965  1.0
  F  F29  1  0.485  0.471  0.752  1.0
  F  F30  1  0.985  0.529  0.248  1.0
  F  F31  1  0.019  0.573  0.035  1.0
  F  F32  1  0.069  0.413  0.476  1.0
  F  F33  1  0.941  0.335  0.706  1.0
  F  F34  1  0.077  0.266  0.928  1.0
  F  F35  1  0.412  0.374  0.167  1.0
  F  F36  1  0.630  0.333  0.365  1.0
  F  F37  1  0.437  0.142  0.756  1.0
  F  F38  1  0.533  0.097  0.973  1.0
  F  F39  1  0.592  0.201  0.564  1.0
  F  F40  1  0.939  0.218  0.127  1.0
  F  F41  1  0.095  0.165  0.355  1.0
  F  F42  1  0.900  0.978  0.830  1.0
  F  F43  1  0.057  0.047  0.567  1.0
[/CIF]
.
The compound described by Li2Mn2F7 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one F(1), one F(2), one F(3), one F(5), and one F(7) atom. In the second Li site, Li(2) is bonded to one F(10), one F(2), one F(4), one F(7), and two equivalent F(6) atoms to form distorted corner-sharing LiF6 octahedra. The corner-sharing octahedral tilt angles are 43°. In the third Li site, Li(3) is bonded to one F(11), one F(12), one F(14), one F(3), one F(8), and one F(9) atom to form distorted LiF6 octahedra that share  a cornercorner with one Mn(1)F6 octahedra and  an edgeedge with one Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles are 32°. In the fourth Li site, Li(4) is bonded in a distorted see-saw-like geometry to one F(13), one F(14), one F(4), and one F(9) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(12), one F(3), one F(5), one F(8), and two equivalent F(1) atoms to form MnF6 octahedra that share  a cornercorner with one Li(3)F6 octahedra, corners with two equivalent Mn(1)F6 octahedra, and  an edgeedge with one Li(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 32-56°. In the second Mn site, Mn(2) is bonded in a 7-coordinate geometry to one F(10), one F(2), one F(4), one F(6), one F(9), and two equivalent F(13) atoms. In the third Mn site, Mn(3) is bonded in a 7-coordinate geometry to one F(10), one F(11), one F(13), one F(14), one F(2), one F(6), and one F(7) atom. In the fourth Mn site, Mn(4) is bonded in a 7-coordinate geometry to one F(11), one F(14), one F(5), one F(7), one F(8), and two equivalent F(12) atoms. There are fourteen 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(1) atoms. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(2), and one Mn(3) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one Mn(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(2), one Li(4), and one Mn(2) atom. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one Mn(4) atom. In the sixth F site, F(6) is bonded to two equivalent Li(2), one Mn(2), and one Mn(3) atom to form a mixture of distorted corner and edge-sharing FLi2Mn2 trigonal pyramids. In the seventh F site, F(7) is bonded to one Li(1), one Li(2), one Mn(3), and one Mn(4) atom to form a mixture of distorted corner and edge-sharing FLi2Mn2 trigonal pyramids. In the eighth F site, F(8) is bonded in a distorted bent 150 degrees geometry to one Li(3), one Mn(1), and one Mn(4) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Li(3), one Li(4), and one Mn(2) atom. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to one Li(2), one Mn(2), and one Mn(3) atom. In the eleventh F site, F(11) is bonded in a distorted T-shaped geometry to one Li(3), one Mn(3), and one Mn(4) atom. In the twelfth F site, F(12) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(1), and two equivalent Mn(4) atoms. In the thirteenth F site, F(13) is bonded in a 2-coordinate geometry to one Li(4), one Mn(3), and two equivalent Mn(2) atoms. In the fourteenth F site, F(14) is bonded to one Li(3), one Li(4), one Mn(3), and one Mn(4) atom to form a mixture of distorted corner and edge-sharing FLi2Mn2 tetrahedra. is represented by the CIF file [CIF]
data_Li2Mn2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.031
_cell_length_b   7.811
_cell_length_c   12.936
_cell_angle_alpha   78.394
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   497.897
_cell_formula_units_Z   4
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  0.240  0.971  0.306  1.0
  Li  Li1  1  0.755  0.997  0.118  1.0
  Li  Li2  1  0.781  0.605  0.687  1.0
  Li  Li3  1  0.283  0.568  0.849  1.0
  Li  Li4  1  0.783  0.432  0.151  1.0
  Li  Li5  1  0.281  0.395  0.313  1.0
  Li  Li6  1  0.255  0.003  0.882  1.0
  Li  Li7  1  0.740  0.029  0.694  1.0
  Mn  Mn8  1  0.345  0.816  0.540  1.0
  Mn  Mn9  1  0.773  0.731  0.944  1.0
  Mn  Mn10  1  0.222  0.747  0.154  1.0
  Mn  Mn11  1  0.805  0.634  0.374  1.0
  Mn  Mn12  1  0.305  0.366  0.626  1.0
  Mn  Mn13  1  0.722  0.253  0.846  1.0
  Mn  Mn14  1  0.273  0.269  0.056  1.0
  Mn  Mn15  1  0.845  0.184  0.460  1.0
  F  F16  1  0.557  0.953  0.433  1.0
  F  F17  1  0.400  0.022  0.170  1.0
  F  F18  1  0.595  0.835  0.645  1.0
  F  F19  1  0.439  0.782  0.873  1.0
  F  F20  1  0.092  0.799  0.436  1.0
  F  F21  1  0.033  0.903  0.027  1.0
  F  F22  1  0.937  0.858  0.244  1.0
  F  F23  1  0.130  0.667  0.635  1.0
  F  F24  1  0.912  0.626  0.833  1.0
  F  F25  1  0.577  0.734  0.072  1.0
  F  F26  1  0.441  0.665  0.294  1.0
  F  F27  1  0.569  0.587  0.524  1.0
  F  F28  1  0.519  0.427  0.965  1.0
  F  F29  1  0.485  0.471  0.752  1.0
  F  F30  1  0.985  0.529  0.248  1.0
  F  F31  1  0.019  0.573  0.035  1.0
  F  F32  1  0.069  0.413  0.476  1.0
  F  F33  1  0.941  0.335  0.706  1.0
  F  F34  1  0.077  0.266  0.928  1.0
  F  F35  1  0.412  0.374  0.167  1.0
  F  F36  1  0.630  0.333  0.365  1.0
  F  F37  1  0.437  0.142  0.756  1.0
  F  F38  1  0.533  0.097  0.973  1.0
  F  F39  1  0.592  0.201  0.564  1.0
  F  F40  1  0.939  0.218  0.127  1.0
  F  F41  1  0.095  0.165  0.355  1.0
  F  F42  1  0.900  0.978  0.830  1.0
  F  F43  1  0.057  0.047  0.567  1.0
[/CIF]
.