The compound described by Li2Mn4O7F is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), two equivalent O(1), and one F(1) atom to form LiO3F tetrahedra that share corners with three equivalent Li(2)O5F octahedra, corners with three equivalent Mn(3)O6 octahedra, and corners with six equivalent Mn(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 54-63°. In the second Li site, Li(2) is bonded to one O(3), two equivalent O(1), two equivalent O(5), and one F(1) atom to form LiO5F octahedra that share corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with four equivalent Mn(2)O5F octahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), and two equivalent O(5) atoms to form MnO4 tetrahedra that share corners with three equivalent Li(2)O5F octahedra, corners with three equivalent Mn(3)O6 octahedra, and corners with six equivalent Mn(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 55-62°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one F(1) atom to form MnO5F octahedra that share corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, edges with two equivalent Li(2)O5F octahedra, edges with two equivalent Mn(2)O5F octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, edges with two equivalent Li(2)O5F octahedra, and edges with four equivalent Mn(2)O5F octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Mn(2), and one Mn(3) atom to form distorted OLi2Mn2 trigonal pyramids that share  a cornercorner with one O(1)Li2Mn2 trigonal pyramid,  a cornercorner with one O(2)LiMn3 trigonal pyramid, corners with two equivalent O(4)Mn4 trigonal pyramids,  an edgeedge with one O(1)Li2Mn2 trigonal pyramid, and  an edgeedge with one O(2)LiMn3 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Mn(3), and two equivalent Mn(2) atoms to form distorted OLiMn3 trigonal pyramids that share corners with two equivalent O(1)Li2Mn2 trigonal pyramids, corners with three equivalent O(4)Mn4 trigonal pyramids, and edges with two equivalent O(1)Li2Mn2 trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(1), and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded to one Mn(1), one Mn(3), and two equivalent Mn(2) atoms to form distorted OMn4 trigonal pyramids that share corners with three equivalent O(2)LiMn3 trigonal pyramids and corners with four equivalent O(1)Li2Mn2 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(2), and one Mn(3) atom. F(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), and two equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_Li2Mn4O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.910
_cell_length_b   5.910
_cell_length_c   5.974
_cell_angle_alpha   60.237
_cell_angle_beta   60.237
_cell_angle_gamma   62.196
_symmetry_Int_Tables_number   1
_cell_volume   150.397
_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  0.884  0.884  0.362  1.0
  Li  Li1  1  0.499  0.499  0.498  1.0
  Mn  Mn2  1  0.114  0.114  0.638  1.0
  Mn  Mn3  1  0.004  0.492  0.991  1.0
  Mn  Mn4  1  0.492  0.004  0.991  1.0
  Mn  Mn5  1  0.501  0.501  0.005  1.0
  O  O6  1  0.294  0.742  0.213  1.0
  O  O7  1  0.742  0.294  0.213  1.0
  O  O8  1  0.741  0.741  0.786  1.0
  O  O9  1  0.252  0.252  0.772  1.0
  O  O10  1  0.260  0.260  0.220  1.0
  O  O11  1  0.707  0.257  0.785  1.0
  O  O12  1  0.257  0.707  0.785  1.0
  F  F13  1  0.747  0.747  0.239  1.0
[/CIF]
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The compound described by Li2Mn4O7F is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), two equivalent O(1), and one F(1) atom to form LiO3F tetrahedra that share corners with three equivalent Li(2)O5F octahedra, corners with three equivalent Mn(3)O6 octahedra, and corners with six equivalent Mn(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 54-63°. In the second Li site, Li(2) is bonded to one O(3), two equivalent O(1), two equivalent O(5), and one F(1) atom to form LiO5F octahedra that share corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with four equivalent Mn(2)O5F octahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), and two equivalent O(5) atoms to form MnO4 tetrahedra that share corners with three equivalent Li(2)O5F octahedra, corners with three equivalent Mn(3)O6 octahedra, and corners with six equivalent Mn(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 55-62°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one F(1) atom to form MnO5F octahedra that share corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, edges with two equivalent Li(2)O5F octahedra, edges with two equivalent Mn(2)O5F octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, edges with two equivalent Li(2)O5F octahedra, and edges with four equivalent Mn(2)O5F octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Mn(2), and one Mn(3) atom to form distorted OLi2Mn2 trigonal pyramids that share  a cornercorner with one O(1)Li2Mn2 trigonal pyramid,  a cornercorner with one O(2)LiMn3 trigonal pyramid, corners with two equivalent O(4)Mn4 trigonal pyramids,  an edgeedge with one O(1)Li2Mn2 trigonal pyramid, and  an edgeedge with one O(2)LiMn3 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Mn(3), and two equivalent Mn(2) atoms to form distorted OLiMn3 trigonal pyramids that share corners with two equivalent O(1)Li2Mn2 trigonal pyramids, corners with three equivalent O(4)Mn4 trigonal pyramids, and edges with two equivalent O(1)Li2Mn2 trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(1), and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded to one Mn(1), one Mn(3), and two equivalent Mn(2) atoms to form distorted OMn4 trigonal pyramids that share corners with three equivalent O(2)LiMn3 trigonal pyramids and corners with four equivalent O(1)Li2Mn2 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(2), and one Mn(3) atom. F(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), and two equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_Li2Mn4O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.910
_cell_length_b   5.910
_cell_length_c   5.974
_cell_angle_alpha   60.237
_cell_angle_beta   60.237
_cell_angle_gamma   62.196
_symmetry_Int_Tables_number   1
_cell_volume   150.397
_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  0.884  0.884  0.362  1.0
  Li  Li1  1  0.499  0.499  0.498  1.0
  Mn  Mn2  1  0.114  0.114  0.638  1.0
  Mn  Mn3  1  0.004  0.492  0.991  1.0
  Mn  Mn4  1  0.492  0.004  0.991  1.0
  Mn  Mn5  1  0.501  0.501  0.005  1.0
  O  O6  1  0.294  0.742  0.213  1.0
  O  O7  1  0.742  0.294  0.213  1.0
  O  O8  1  0.741  0.741  0.786  1.0
  O  O9  1  0.252  0.252  0.772  1.0
  O  O10  1  0.260  0.260  0.220  1.0
  O  O11  1  0.707  0.257  0.785  1.0
  O  O12  1  0.257  0.707  0.785  1.0
  F  F13  1  0.747  0.747  0.239  1.0
[/CIF]
.