The material structure described by LiMn7(OF3)3 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(6), and one F(7) atom to form LiF6 octahedra that share  a cornercorner with one Mn(3)OF5 pentagonal pyramid and  an edgeedge with one Mn(3)OF5 pentagonal pyramid. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one F(1), one F(2), one F(6), and one F(9) atom. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one F(1), one F(3), one F(5), and one F(7) atom. In the third Mn site, Mn(3) is bonded to one O(2), one F(2), one F(3), one F(4), one F(5), and one F(8) atom to form distorted MnOF5 pentagonal pyramids that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Mn(4)O3F3 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Mn(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 36-49°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one F(5), one F(8), and one F(9) atom to form a mixture of distorted corner and edge-sharing MnO3F3 octahedra. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one O(2), one O(3), one F(3), one F(4), one F(6), and one F(8) atom. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one O(3), one F(1), one F(4), one F(5), one F(7), and one F(9) atom. In the seventh Mn site, Mn(7) is bonded in a 6-coordinate geometry to one O(1), one F(2), one F(6), one F(7), one F(8), and one F(9) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), one Mn(2), one Mn(4), and one Mn(7) atom to form OMn4 tetrahedra that share corners with two equivalent O(2)Mn4 tetrahedra, corners with two equivalent O(3)Mn4 tetrahedra, corners with two equivalent F(6)LiMn3 tetrahedra, corners with two equivalent F(7)LiMn3 tetrahedra, and  an edgeedge with one F(5)Mn4 tetrahedra. In the second O site, O(2) is bonded to one Mn(1), one Mn(3), one Mn(4), and one Mn(5) atom to form distorted OMn4 tetrahedra that share corners with two equivalent O(1)Mn4 tetrahedra, corners with two equivalent F(6)LiMn3 tetrahedra, corners with two equivalent F(5)Mn4 tetrahedra, corners with two equivalent F(4)LiMn3 trigonal pyramids, and  an edgeedge with one O(3)Mn4 tetrahedra. In the third O site, O(3) is bonded to one Mn(2), one Mn(4), one Mn(5), and one Mn(6) atom to form OMn4 tetrahedra that share  a cornercorner with one F(6)LiMn3 tetrahedra,  a cornercorner with one F(5)Mn4 tetrahedra, corners with two equivalent O(1)Mn4 tetrahedra, corners with two equivalent F(7)LiMn3 tetrahedra, corners with two equivalent F(4)LiMn3 trigonal pyramids,  an edgeedge with one O(2)Mn4 tetrahedra, and  an edgeedge with one F(5)Mn4 tetrahedra. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(6) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(3), and one Mn(7) atom. In the third F site, F(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(2), one Mn(3), and one Mn(5) atom. In the fourth F site, F(4) is bonded to one Li(1), one Mn(3), one Mn(5), and one Mn(6) atom to form distorted FLiMn3 trigonal pyramids that share corners with two equivalent O(2)Mn4 tetrahedra, corners with two equivalent O(3)Mn4 tetrahedra, corners with two equivalent F(6)LiMn3 tetrahedra,  an edgeedge with one F(7)LiMn3 tetrahedra, and  an edgeedge with one F(5)Mn4 tetrahedra. In the fifth F site, F(5) is bonded to one Mn(2), one Mn(3), one Mn(4), and one Mn(6) atom to form distorted FMn4 tetrahedra that share  a cornercorner with one O(3)Mn4 tetrahedra, corners with two equivalent O(2)Mn4 tetrahedra, corners with two equivalent F(7)LiMn3 tetrahedra,  an edgeedge with one O(1)Mn4 tetrahedra,  an edgeedge with one O(3)Mn4 tetrahedra, and  an edgeedge with one F(4)LiMn3 trigonal pyramid. In the sixth F site, F(6) is bonded to one Li(1), one Mn(1), one Mn(5), and one Mn(7) atom to form distorted FLiMn3 tetrahedra that share  a cornercorner with one O(3)Mn4 tetrahedra, corners with two equivalent O(1)Mn4 tetrahedra, corners with two equivalent O(2)Mn4 tetrahedra, corners with two equivalent F(4)LiMn3 trigonal pyramids, and  an edgeedge with one F(7)LiMn3 tetrahedra. In the seventh F site, F(7) is bonded to one Li(1), one Mn(2), one Mn(6), and one Mn(7) atom to form distorted FLiMn3 tetrahedra that share corners with two equivalent O(1)Mn4 tetrahedra, corners with two equivalent O(3)Mn4 tetrahedra, corners with two equivalent F(5)Mn4 tetrahedra,  an edgeedge with one F(6)LiMn3 tetrahedra, and  an edgeedge with one F(4)LiMn3 trigonal pyramid. In the eighth F site, F(8) is bonded in a distorted see-saw-like geometry to one Mn(3), one Mn(4), one Mn(5), and one Mn(7) atom. In the ninth F site, F(9) is bonded in a distorted see-saw-like geometry to one Mn(1), one Mn(4), one Mn(6), and one Mn(7) atom. is represented by the CIF file [CIF]
data_LiMn7(OF3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.371
_cell_length_b   6.419
_cell_length_c   6.453
_cell_angle_alpha   89.833
_cell_angle_beta   89.609
_cell_angle_gamma   89.938
_symmetry_Int_Tables_number   1
_cell_volume   263.889
_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  0.509  0.493  0.510  1.0
  Mn  Mn1  1  0.062  0.564  0.247  1.0
  Mn  Mn2  1  0.432  0.261  0.061  1.0
  Mn  Mn3  1  0.242  0.928  0.543  1.0
  Mn  Mn4  1  0.988  0.027  0.027  1.0
  Mn  Mn5  1  0.746  0.038  0.413  1.0
  Mn  Mn6  1  0.567  0.767  0.948  1.0
  Mn  Mn7  1  0.958  0.428  0.757  1.0
  O  O8  1  0.115  0.330  0.032  1.0
  O  O9  1  0.030  0.879  0.315  1.0
  O  O10  1  0.661  0.042  0.097  1.0
  F  F11  1  0.441  0.581  0.201  1.0
  F  F12  1  0.203  0.568  0.576  1.0
  F  F13  1  0.425  0.192  0.441  1.0
  F  F14  1  0.570  0.810  0.589  1.0
  F  F15  1  0.289  0.938  0.873  1.0
  F  F16  1  0.819  0.409  0.438  1.0
  F  F17  1  0.595  0.443  0.818  1.0
  F  F18  1  0.947  0.097  0.683  1.0
  F  F19  1  0.901  0.703  0.930  1.0
[/CIF]
.
The material structure described by LiMn7(OF3)3 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(6), and one F(7) atom to form LiF6 octahedra that share  a cornercorner with one Mn(3)OF5 pentagonal pyramid and  an edgeedge with one Mn(3)OF5 pentagonal pyramid. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one F(1), one F(2), one F(6), and one F(9) atom. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one F(1), one F(3), one F(5), and one F(7) atom. In the third Mn site, Mn(3) is bonded to one O(2), one F(2), one F(3), one F(4), one F(5), and one F(8) atom to form distorted MnOF5 pentagonal pyramids that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Mn(4)O3F3 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Mn(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 36-49°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one F(5), one F(8), and one F(9) atom to form a mixture of distorted corner and edge-sharing MnO3F3 octahedra. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one O(2), one O(3), one F(3), one F(4), one F(6), and one F(8) atom. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one O(3), one F(1), one F(4), one F(5), one F(7), and one F(9) atom. In the seventh Mn site, Mn(7) is bonded in a 6-coordinate geometry to one O(1), one F(2), one F(6), one F(7), one F(8), and one F(9) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), one Mn(2), one Mn(4), and one Mn(7) atom to form OMn4 tetrahedra that share corners with two equivalent O(2)Mn4 tetrahedra, corners with two equivalent O(3)Mn4 tetrahedra, corners with two equivalent F(6)LiMn3 tetrahedra, corners with two equivalent F(7)LiMn3 tetrahedra, and  an edgeedge with one F(5)Mn4 tetrahedra. In the second O site, O(2) is bonded to one Mn(1), one Mn(3), one Mn(4), and one Mn(5) atom to form distorted OMn4 tetrahedra that share corners with two equivalent O(1)Mn4 tetrahedra, corners with two equivalent F(6)LiMn3 tetrahedra, corners with two equivalent F(5)Mn4 tetrahedra, corners with two equivalent F(4)LiMn3 trigonal pyramids, and  an edgeedge with one O(3)Mn4 tetrahedra. In the third O site, O(3) is bonded to one Mn(2), one Mn(4), one Mn(5), and one Mn(6) atom to form OMn4 tetrahedra that share  a cornercorner with one F(6)LiMn3 tetrahedra,  a cornercorner with one F(5)Mn4 tetrahedra, corners with two equivalent O(1)Mn4 tetrahedra, corners with two equivalent F(7)LiMn3 tetrahedra, corners with two equivalent F(4)LiMn3 trigonal pyramids,  an edgeedge with one O(2)Mn4 tetrahedra, and  an edgeedge with one F(5)Mn4 tetrahedra. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(6) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(3), and one Mn(7) atom. In the third F site, F(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(2), one Mn(3), and one Mn(5) atom. In the fourth F site, F(4) is bonded to one Li(1), one Mn(3), one Mn(5), and one Mn(6) atom to form distorted FLiMn3 trigonal pyramids that share corners with two equivalent O(2)Mn4 tetrahedra, corners with two equivalent O(3)Mn4 tetrahedra, corners with two equivalent F(6)LiMn3 tetrahedra,  an edgeedge with one F(7)LiMn3 tetrahedra, and  an edgeedge with one F(5)Mn4 tetrahedra. In the fifth F site, F(5) is bonded to one Mn(2), one Mn(3), one Mn(4), and one Mn(6) atom to form distorted FMn4 tetrahedra that share  a cornercorner with one O(3)Mn4 tetrahedra, corners with two equivalent O(2)Mn4 tetrahedra, corners with two equivalent F(7)LiMn3 tetrahedra,  an edgeedge with one O(1)Mn4 tetrahedra,  an edgeedge with one O(3)Mn4 tetrahedra, and  an edgeedge with one F(4)LiMn3 trigonal pyramid. In the sixth F site, F(6) is bonded to one Li(1), one Mn(1), one Mn(5), and one Mn(7) atom to form distorted FLiMn3 tetrahedra that share  a cornercorner with one O(3)Mn4 tetrahedra, corners with two equivalent O(1)Mn4 tetrahedra, corners with two equivalent O(2)Mn4 tetrahedra, corners with two equivalent F(4)LiMn3 trigonal pyramids, and  an edgeedge with one F(7)LiMn3 tetrahedra. In the seventh F site, F(7) is bonded to one Li(1), one Mn(2), one Mn(6), and one Mn(7) atom to form distorted FLiMn3 tetrahedra that share corners with two equivalent O(1)Mn4 tetrahedra, corners with two equivalent O(3)Mn4 tetrahedra, corners with two equivalent F(5)Mn4 tetrahedra,  an edgeedge with one F(6)LiMn3 tetrahedra, and  an edgeedge with one F(4)LiMn3 trigonal pyramid. In the eighth F site, F(8) is bonded in a distorted see-saw-like geometry to one Mn(3), one Mn(4), one Mn(5), and one Mn(7) atom. In the ninth F site, F(9) is bonded in a distorted see-saw-like geometry to one Mn(1), one Mn(4), one Mn(6), and one Mn(7) atom. is represented by the CIF file [CIF]
data_LiMn7(OF3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.371
_cell_length_b   6.419
_cell_length_c   6.453
_cell_angle_alpha   89.833
_cell_angle_beta   89.609
_cell_angle_gamma   89.938
_symmetry_Int_Tables_number   1
_cell_volume   263.889
_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  0.509  0.493  0.510  1.0
  Mn  Mn1  1  0.062  0.564  0.247  1.0
  Mn  Mn2  1  0.432  0.261  0.061  1.0
  Mn  Mn3  1  0.242  0.928  0.543  1.0
  Mn  Mn4  1  0.988  0.027  0.027  1.0
  Mn  Mn5  1  0.746  0.038  0.413  1.0
  Mn  Mn6  1  0.567  0.767  0.948  1.0
  Mn  Mn7  1  0.958  0.428  0.757  1.0
  O  O8  1  0.115  0.330  0.032  1.0
  O  O9  1  0.030  0.879  0.315  1.0
  O  O10  1  0.661  0.042  0.097  1.0
  F  F11  1  0.441  0.581  0.201  1.0
  F  F12  1  0.203  0.568  0.576  1.0
  F  F13  1  0.425  0.192  0.441  1.0
  F  F14  1  0.570  0.810  0.589  1.0
  F  F15  1  0.289  0.938  0.873  1.0
  F  F16  1  0.819  0.409  0.438  1.0
  F  F17  1  0.595  0.443  0.818  1.0
  F  F18  1  0.947  0.097  0.683  1.0
  F  F19  1  0.901  0.703  0.930  1.0
[/CIF]
.