The crystal structure described by Li4Mn7(OF7)2 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one F(2), and two equivalent F(1) atoms to form LiOF3 tetrahedra that share  a cornercorner with one Mn(3)O2F4 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, corners with three equivalent Mn(1)F6 octahedra, and corners with four equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-64°. In the second Li site, Li(2) is bonded to one F(3), one F(5), and two equivalent F(4) atoms to form LiF4 tetrahedra that share corners with two equivalent Mn(2)F6 octahedra, corners with two equivalent Mn(3)O2F4 octahedra, corners with three equivalent Mn(1)F6 octahedra, and corners with four equivalent Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 52-59°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(2), one F(5), two equivalent F(1), and two equivalent F(4) atoms to form MnF6 octahedra that share corners with three equivalent Li(2)F4 tetrahedra, corners with three equivalent Li(1)OF3 tetrahedra,  an edgeedge with one Mn(3)O2F4 octahedra, edges with two equivalent Mn(2)F6 octahedra, and edges with two equivalent Mn(4)O2F4 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form MnF6 octahedra that share corners with two equivalent Li(2)F4 tetrahedra, corners with four equivalent Li(1)OF3 tetrahedra, edges with two equivalent Mn(1)F6 octahedra, and edges with two equivalent Mn(2)F6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(1) and four equivalent F(4) atoms to form MnO2F4 octahedra that share corners with two equivalent Li(1)OF3 tetrahedra, corners with four equivalent Li(2)F4 tetrahedra, edges with two equivalent Mn(1)F6 octahedra, and edges with four equivalent Mn(4)O2F4 octahedra. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent F(4), and two equivalent F(5) atoms to form MnO2F4 octahedra that share corners with two equivalent Li(1)OF3 tetrahedra, corners with four equivalent Li(2)F4 tetrahedra, edges with two equivalent Mn(1)F6 octahedra, edges with two equivalent Mn(3)O2F4 octahedra, and edges with two equivalent Mn(4)O2F4 octahedra. O(1) is bonded to one Li(1), one Mn(3), and two equivalent Mn(4) atoms to form corner-sharing OLiMn3 tetrahedra. There are five inequivalent F sites. In the first F site, F(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(3), and one Mn(4) atom. In the second F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), and two equivalent Mn(4) atoms. In the third F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fourth F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), and two equivalent Mn(2) atoms. In the fifth F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(2) and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Mn7(OF7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.206
_cell_length_b   6.206
_cell_length_c   11.136
_cell_angle_alpha   72.813
_cell_angle_beta   72.813
_cell_angle_gamma   62.307
_symmetry_Int_Tables_number   1
_cell_volume   356.381
_cell_formula_units_Z   1
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  0.421  0.421  0.713  1.0
  Li  Li1  1  0.080  0.080  0.797  1.0
  Li  Li2  1  0.920  0.920  0.203  1.0
  Li  Li3  1  0.579  0.579  0.287  1.0
  Mn  Mn4  1  0.771  0.771  0.739  1.0
  Mn  Mn5  1  0.000  0.500  0.500  1.0
  Mn  Mn6  1  0.500  0.000  0.500  1.0
  Mn  Mn7  1  0.500  0.500  0.000  1.0
  Mn  Mn8  1  0.229  0.229  0.261  1.0
  Mn  Mn9  1  0.500  0.000  0.000  1.0
  Mn  Mn10  1  0.000  0.500  0.000  1.0
  O  O11  1  0.638  0.638  0.091  1.0
  O  O12  1  0.362  0.362  0.909  1.0
  F  F13  1  0.602  0.120  0.630  1.0
  F  F14  1  0.120  0.602  0.630  1.0
  F  F15  1  0.366  0.366  0.374  1.0
  F  F16  1  0.634  0.634  0.626  1.0
  F  F17  1  0.859  0.859  0.387  1.0
  F  F18  1  0.141  0.141  0.613  1.0
  F  F19  1  0.880  0.398  0.370  1.0
  F  F20  1  0.398  0.880  0.370  1.0
  F  F21  1  0.127  0.604  0.139  1.0
  F  F22  1  0.604  0.127  0.139  1.0
  F  F23  1  0.115  0.115  0.138  1.0
  F  F24  1  0.885  0.885  0.862  1.0
  F  F25  1  0.396  0.873  0.861  1.0
  F  F26  1  0.873  0.396  0.861  1.0
[/CIF]
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The crystal structure described by Li4Mn7(OF7)2 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one F(2), and two equivalent F(1) atoms to form LiOF3 tetrahedra that share  a cornercorner with one Mn(3)O2F4 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, corners with three equivalent Mn(1)F6 octahedra, and corners with four equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-64°. In the second Li site, Li(2) is bonded to one F(3), one F(5), and two equivalent F(4) atoms to form LiF4 tetrahedra that share corners with two equivalent Mn(2)F6 octahedra, corners with two equivalent Mn(3)O2F4 octahedra, corners with three equivalent Mn(1)F6 octahedra, and corners with four equivalent Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 52-59°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(2), one F(5), two equivalent F(1), and two equivalent F(4) atoms to form MnF6 octahedra that share corners with three equivalent Li(2)F4 tetrahedra, corners with three equivalent Li(1)OF3 tetrahedra,  an edgeedge with one Mn(3)O2F4 octahedra, edges with two equivalent Mn(2)F6 octahedra, and edges with two equivalent Mn(4)O2F4 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form MnF6 octahedra that share corners with two equivalent Li(2)F4 tetrahedra, corners with four equivalent Li(1)OF3 tetrahedra, edges with two equivalent Mn(1)F6 octahedra, and edges with two equivalent Mn(2)F6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(1) and four equivalent F(4) atoms to form MnO2F4 octahedra that share corners with two equivalent Li(1)OF3 tetrahedra, corners with four equivalent Li(2)F4 tetrahedra, edges with two equivalent Mn(1)F6 octahedra, and edges with four equivalent Mn(4)O2F4 octahedra. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent F(4), and two equivalent F(5) atoms to form MnO2F4 octahedra that share corners with two equivalent Li(1)OF3 tetrahedra, corners with four equivalent Li(2)F4 tetrahedra, edges with two equivalent Mn(1)F6 octahedra, edges with two equivalent Mn(3)O2F4 octahedra, and edges with two equivalent Mn(4)O2F4 octahedra. O(1) is bonded to one Li(1), one Mn(3), and two equivalent Mn(4) atoms to form corner-sharing OLiMn3 tetrahedra. There are five inequivalent F sites. In the first F site, F(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(3), and one Mn(4) atom. In the second F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), and two equivalent Mn(4) atoms. In the third F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fourth F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), and two equivalent Mn(2) atoms. In the fifth F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(2) and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Mn7(OF7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.206
_cell_length_b   6.206
_cell_length_c   11.136
_cell_angle_alpha   72.813
_cell_angle_beta   72.813
_cell_angle_gamma   62.307
_symmetry_Int_Tables_number   1
_cell_volume   356.381
_cell_formula_units_Z   1
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  0.421  0.421  0.713  1.0
  Li  Li1  1  0.080  0.080  0.797  1.0
  Li  Li2  1  0.920  0.920  0.203  1.0
  Li  Li3  1  0.579  0.579  0.287  1.0
  Mn  Mn4  1  0.771  0.771  0.739  1.0
  Mn  Mn5  1  0.000  0.500  0.500  1.0
  Mn  Mn6  1  0.500  0.000  0.500  1.0
  Mn  Mn7  1  0.500  0.500  0.000  1.0
  Mn  Mn8  1  0.229  0.229  0.261  1.0
  Mn  Mn9  1  0.500  0.000  0.000  1.0
  Mn  Mn10  1  0.000  0.500  0.000  1.0
  O  O11  1  0.638  0.638  0.091  1.0
  O  O12  1  0.362  0.362  0.909  1.0
  F  F13  1  0.602  0.120  0.630  1.0
  F  F14  1  0.120  0.602  0.630  1.0
  F  F15  1  0.366  0.366  0.374  1.0
  F  F16  1  0.634  0.634  0.626  1.0
  F  F17  1  0.859  0.859  0.387  1.0
  F  F18  1  0.141  0.141  0.613  1.0
  F  F19  1  0.880  0.398  0.370  1.0
  F  F20  1  0.398  0.880  0.370  1.0
  F  F21  1  0.127  0.604  0.139  1.0
  F  F22  1  0.604  0.127  0.139  1.0
  F  F23  1  0.115  0.115  0.138  1.0
  F  F24  1  0.885  0.885  0.862  1.0
  F  F25  1  0.396  0.873  0.861  1.0
  F  F26  1  0.873  0.396  0.861  1.0
[/CIF]
.