The material structure described by Li2Mn2F7 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(3), and one F(6) atom to form LiF4 tetrahedra that share corners with two equivalent Mn(2)F6 octahedra, corners with four equivalent Mn(1)F6 octahedra, and corners with two equivalent Li(2)F4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 48-60°. In the second Li site, Li(2) is bonded to one F(1), one F(4), one F(5), and one F(6) atom to form LiF4 trigonal pyramids that share corners with two equivalent Mn(2)F6 octahedra, corners with three equivalent Mn(1)F6 octahedra, and corners with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-58°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and one F(7) atom to form MnF6 octahedra that share  a cornercorner with one Mn(2)F6 octahedra, corners with four equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)F4 trigonal pyramids, and edges with two equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles are 17°. In the second Mn site, Mn(2) is bonded to one F(2), one F(3), one F(4), one F(5), and two equivalent F(7) atoms to form MnF6 octahedra that share  a cornercorner with one Mn(1)F6 octahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(2)F4 trigonal pyramids,  an edgeedge with one Mn(2)F6 octahedra, and edges with two equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Mn(1) atom. In the second F site, F(2) is bonded in a 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 trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Li(2) and one Mn(2) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one Mn(2) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Mn(1) atom. In the seventh F site, F(7) is bonded in a T-shaped geometry to one Mn(1) and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Mn2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.485
_cell_length_b   6.856
_cell_length_c   8.456
_cell_angle_alpha   109.284
_cell_angle_beta   103.581
_cell_angle_gamma   85.567
_symmetry_Int_Tables_number   1
_cell_volume   291.772
_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  0.675  0.251  0.906  1.0
  Li  Li1  1  0.131  0.005  0.731  1.0
  Li  Li2  1  0.869  0.995  0.269  1.0
  Li  Li3  1  0.325  0.749  0.094  1.0
  Mn  Mn4  1  0.718  0.728  0.826  1.0
  Mn  Mn5  1  0.198  0.474  0.667  1.0
  Mn  Mn6  1  0.802  0.526  0.333  1.0
  Mn  Mn7  1  0.282  0.272  0.174  1.0
  F  F8  1  0.361  0.174  0.951  1.0
  F  F9  1  0.087  0.609  0.895  1.0
  F  F10  1  0.576  0.450  0.788  1.0
  F  F11  1  0.081  0.197  0.619  1.0
  F  F12  1  0.331  0.758  0.700  1.0
  F  F13  1  0.834  0.989  0.826  1.0
  F  F14  1  0.806  0.604  0.595  1.0
  F  F15  1  0.194  0.396  0.405  1.0
  F  F16  1  0.166  0.011  0.174  1.0
  F  F17  1  0.669  0.242  0.300  1.0
  F  F18  1  0.919  0.803  0.381  1.0
  F  F19  1  0.424  0.550  0.212  1.0
  F  F20  1  0.913  0.391  0.105  1.0
  F  F21  1  0.639  0.826  0.049  1.0
[/CIF]
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The material structure described by Li2Mn2F7 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(3), and one F(6) atom to form LiF4 tetrahedra that share corners with two equivalent Mn(2)F6 octahedra, corners with four equivalent Mn(1)F6 octahedra, and corners with two equivalent Li(2)F4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 48-60°. In the second Li site, Li(2) is bonded to one F(1), one F(4), one F(5), and one F(6) atom to form LiF4 trigonal pyramids that share corners with two equivalent Mn(2)F6 octahedra, corners with three equivalent Mn(1)F6 octahedra, and corners with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-58°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and one F(7) atom to form MnF6 octahedra that share  a cornercorner with one Mn(2)F6 octahedra, corners with four equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)F4 trigonal pyramids, and edges with two equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles are 17°. In the second Mn site, Mn(2) is bonded to one F(2), one F(3), one F(4), one F(5), and two equivalent F(7) atoms to form MnF6 octahedra that share  a cornercorner with one Mn(1)F6 octahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(2)F4 trigonal pyramids,  an edgeedge with one Mn(2)F6 octahedra, and edges with two equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Mn(1) atom. In the second F site, F(2) is bonded in a 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 trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Li(2) and one Mn(2) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one Mn(2) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Mn(1) atom. In the seventh F site, F(7) is bonded in a T-shaped geometry to one Mn(1) and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Mn2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.485
_cell_length_b   6.856
_cell_length_c   8.456
_cell_angle_alpha   109.284
_cell_angle_beta   103.581
_cell_angle_gamma   85.567
_symmetry_Int_Tables_number   1
_cell_volume   291.772
_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  0.675  0.251  0.906  1.0
  Li  Li1  1  0.131  0.005  0.731  1.0
  Li  Li2  1  0.869  0.995  0.269  1.0
  Li  Li3  1  0.325  0.749  0.094  1.0
  Mn  Mn4  1  0.718  0.728  0.826  1.0
  Mn  Mn5  1  0.198  0.474  0.667  1.0
  Mn  Mn6  1  0.802  0.526  0.333  1.0
  Mn  Mn7  1  0.282  0.272  0.174  1.0
  F  F8  1  0.361  0.174  0.951  1.0
  F  F9  1  0.087  0.609  0.895  1.0
  F  F10  1  0.576  0.450  0.788  1.0
  F  F11  1  0.081  0.197  0.619  1.0
  F  F12  1  0.331  0.758  0.700  1.0
  F  F13  1  0.834  0.989  0.826  1.0
  F  F14  1  0.806  0.604  0.595  1.0
  F  F15  1  0.194  0.396  0.405  1.0
  F  F16  1  0.166  0.011  0.174  1.0
  F  F17  1  0.669  0.242  0.300  1.0
  F  F18  1  0.919  0.803  0.381  1.0
  F  F19  1  0.424  0.550  0.212  1.0
  F  F20  1  0.913  0.391  0.105  1.0
  F  F21  1  0.639  0.826  0.049  1.0
[/CIF]
.