The material structure described by Li4Mn3OF11 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(10), one F(3), one F(4), one F(5), and one F(8) atom to form distorted LiF6 pentagonal pyramids that share  a cornercorner with one Li(2)F6 octahedra, corners with two equivalent Mn(3)OF5 octahedra,  a cornercorner with one Li(3)F6 pentagonal pyramid,  an edgeedge with one Li(2)F6 octahedra,  an edgeedge with one Li(3)F6 pentagonal pyramid, and  an edgeedge with one Li(4)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 40-72°. In the second Li site, Li(2) is bonded to one F(1), one F(3), one F(4), one F(6), one F(7), and one F(9) atom to form distorted LiF6 octahedra that share corners with two equivalent Mn(3)OF5 octahedra,  a cornercorner with one Li(1)F6 pentagonal pyramid,  a cornercorner with one Li(3)F6 pentagonal pyramid,  a cornercorner with one Li(4)F6 pentagonal pyramid,  an edgeedge with one Li(1)F6 pentagonal pyramid,  an edgeedge with one Li(3)F6 pentagonal pyramid, and  an edgeedge with one Li(4)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 46-60°. In the third Li site, Li(3) is bonded to one F(10), one F(5), one F(6), one F(7), one F(8), and one F(9) atom to form distorted LiF6 pentagonal pyramids that share  a cornercorner with one Li(2)F6 octahedra, corners with two equivalent Mn(3)OF5 octahedra,  a cornercorner with one Li(1)F6 pentagonal pyramid,  a cornercorner with one Li(4)F6 pentagonal pyramid,  an edgeedge with one Li(2)F6 octahedra,  an edgeedge with one Li(1)F6 pentagonal pyramid, and  an edgeedge with one Li(4)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 42-65°. In the fourth Li site, Li(4) is bonded to one F(11), one F(2), one F(4), one F(6), one F(8), and one F(9) atom to form distorted LiF6 pentagonal pyramids that share  a cornercorner with one Li(2)F6 octahedra, corners with two equivalent Mn(3)OF5 octahedra,  a cornercorner with one Li(3)F6 pentagonal pyramid,  an edgeedge with one Li(2)F6 octahedra,  an edgeedge with one Li(1)F6 pentagonal pyramid, and  an edgeedge with one Li(3)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 39-68°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. In the second Mn site, Mn(2) is bonded in a 7-coordinate geometry to one O(1), one F(1), one F(11), one F(3), one F(5), one F(8), and one F(9) atom. In the third Mn site, Mn(3) is bonded to one O(1), one F(1), one F(10), one F(11), one F(2), and one F(7) atom to form MnOF5 octahedra that share corners with two equivalent Li(2)F6 octahedra, corners with two equivalent Li(1)F6 pentagonal pyramids, corners with two equivalent Li(3)F6 pentagonal pyramids, and corners with two equivalent Li(4)F6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 46-60°. O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(4), one Mn(1), and one Mn(3) atom. In the third F site, F(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(1), and one Mn(2) atom. In the fourth F site, F(4) is bonded to one Li(1), one Li(2), one Li(4), and one Mn(1) atom to form a mixture of corner and edge-sharing FLi3Mn tetrahedra. In the fifth F site, F(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Mn(1), and one Mn(2) atom. In the sixth F site, F(6) is bonded to one Li(2), one Li(3), one Li(4), and one Mn(1) atom to form a mixture of corner and edge-sharing FLi3Mn tetrahedra. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one Mn(3) atom. In the eighth F site, F(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Li(4), and one Mn(2) atom. In the ninth F site, F(9) is bonded to one Li(2), one Li(3), one Li(4), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing FLi3Mn tetrahedra. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one Mn(3) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one Mn(2), and one Mn(3) atom. is represented by the CIF file [CIF]
data_Li4Mn3OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.039
_cell_length_b   6.105
_cell_length_c   6.109
_cell_angle_alpha   100.763
_cell_angle_beta   100.606
_cell_angle_gamma   99.968
_symmetry_Int_Tables_number   1
_cell_volume   212.418
_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  0.870  0.676  0.402  1.0
  Li  Li1  1  0.669  0.384  0.852  1.0
  Li  Li2  1  0.397  0.876  0.684  1.0
  Li  Li3  1  0.142  0.320  0.596  1.0
  Mn  Mn4  1  0.579  0.145  0.334  1.0
  Mn  Mn5  1  0.288  0.626  0.112  1.0
  Mn  Mn6  1  0.003  0.990  0.002  1.0
  O  O7  1  0.316  0.949  0.123  1.0
  F  F8  1  0.901  0.657  0.040  1.0
  F  F9  1  0.966  0.104  0.297  1.0
  F  F10  1  0.560  0.400  0.190  1.0
  F  F11  1  0.816  0.374  0.567  1.0
  F  F12  1  0.618  0.852  0.409  1.0
  F  F13  1  0.406  0.183  0.598  1.0
  F  F14  1  0.703  0.046  0.897  1.0
  F  F15  1  0.198  0.610  0.393  1.0
  F  F16  1  0.396  0.608  0.838  1.0
  F  F17  1  0.045  0.881  0.706  1.0
  F  F18  1  0.127  0.318  0.962  1.0
[/CIF]
.
The material structure described by Li4Mn3OF11 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(10), one F(3), one F(4), one F(5), and one F(8) atom to form distorted LiF6 pentagonal pyramids that share  a cornercorner with one Li(2)F6 octahedra, corners with two equivalent Mn(3)OF5 octahedra,  a cornercorner with one Li(3)F6 pentagonal pyramid,  an edgeedge with one Li(2)F6 octahedra,  an edgeedge with one Li(3)F6 pentagonal pyramid, and  an edgeedge with one Li(4)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 40-72°. In the second Li site, Li(2) is bonded to one F(1), one F(3), one F(4), one F(6), one F(7), and one F(9) atom to form distorted LiF6 octahedra that share corners with two equivalent Mn(3)OF5 octahedra,  a cornercorner with one Li(1)F6 pentagonal pyramid,  a cornercorner with one Li(3)F6 pentagonal pyramid,  a cornercorner with one Li(4)F6 pentagonal pyramid,  an edgeedge with one Li(1)F6 pentagonal pyramid,  an edgeedge with one Li(3)F6 pentagonal pyramid, and  an edgeedge with one Li(4)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 46-60°. In the third Li site, Li(3) is bonded to one F(10), one F(5), one F(6), one F(7), one F(8), and one F(9) atom to form distorted LiF6 pentagonal pyramids that share  a cornercorner with one Li(2)F6 octahedra, corners with two equivalent Mn(3)OF5 octahedra,  a cornercorner with one Li(1)F6 pentagonal pyramid,  a cornercorner with one Li(4)F6 pentagonal pyramid,  an edgeedge with one Li(2)F6 octahedra,  an edgeedge with one Li(1)F6 pentagonal pyramid, and  an edgeedge with one Li(4)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 42-65°. In the fourth Li site, Li(4) is bonded to one F(11), one F(2), one F(4), one F(6), one F(8), and one F(9) atom to form distorted LiF6 pentagonal pyramids that share  a cornercorner with one Li(2)F6 octahedra, corners with two equivalent Mn(3)OF5 octahedra,  a cornercorner with one Li(3)F6 pentagonal pyramid,  an edgeedge with one Li(2)F6 octahedra,  an edgeedge with one Li(1)F6 pentagonal pyramid, and  an edgeedge with one Li(3)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 39-68°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. In the second Mn site, Mn(2) is bonded in a 7-coordinate geometry to one O(1), one F(1), one F(11), one F(3), one F(5), one F(8), and one F(9) atom. In the third Mn site, Mn(3) is bonded to one O(1), one F(1), one F(10), one F(11), one F(2), and one F(7) atom to form MnOF5 octahedra that share corners with two equivalent Li(2)F6 octahedra, corners with two equivalent Li(1)F6 pentagonal pyramids, corners with two equivalent Li(3)F6 pentagonal pyramids, and corners with two equivalent Li(4)F6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 46-60°. O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(4), one Mn(1), and one Mn(3) atom. In the third F site, F(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(1), and one Mn(2) atom. In the fourth F site, F(4) is bonded to one Li(1), one Li(2), one Li(4), and one Mn(1) atom to form a mixture of corner and edge-sharing FLi3Mn tetrahedra. In the fifth F site, F(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Mn(1), and one Mn(2) atom. In the sixth F site, F(6) is bonded to one Li(2), one Li(3), one Li(4), and one Mn(1) atom to form a mixture of corner and edge-sharing FLi3Mn tetrahedra. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one Mn(3) atom. In the eighth F site, F(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Li(4), and one Mn(2) atom. In the ninth F site, F(9) is bonded to one Li(2), one Li(3), one Li(4), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing FLi3Mn tetrahedra. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one Mn(3) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one Mn(2), and one Mn(3) atom. is represented by the CIF file [CIF]
data_Li4Mn3OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.039
_cell_length_b   6.105
_cell_length_c   6.109
_cell_angle_alpha   100.763
_cell_angle_beta   100.606
_cell_angle_gamma   99.968
_symmetry_Int_Tables_number   1
_cell_volume   212.418
_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  0.870  0.676  0.402  1.0
  Li  Li1  1  0.669  0.384  0.852  1.0
  Li  Li2  1  0.397  0.876  0.684  1.0
  Li  Li3  1  0.142  0.320  0.596  1.0
  Mn  Mn4  1  0.579  0.145  0.334  1.0
  Mn  Mn5  1  0.288  0.626  0.112  1.0
  Mn  Mn6  1  0.003  0.990  0.002  1.0
  O  O7  1  0.316  0.949  0.123  1.0
  F  F8  1  0.901  0.657  0.040  1.0
  F  F9  1  0.966  0.104  0.297  1.0
  F  F10  1  0.560  0.400  0.190  1.0
  F  F11  1  0.816  0.374  0.567  1.0
  F  F12  1  0.618  0.852  0.409  1.0
  F  F13  1  0.406  0.183  0.598  1.0
  F  F14  1  0.703  0.046  0.897  1.0
  F  F15  1  0.198  0.610  0.393  1.0
  F  F16  1  0.396  0.608  0.838  1.0
  F  F17  1  0.045  0.881  0.706  1.0
  F  F18  1  0.127  0.318  0.962  1.0
[/CIF]
.