The compound described by Li6Mn11(OF12)2 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one F(23), one F(3), and one F(8) atom to form LiOF3 tetrahedra that share  a cornercorner with one Mn(10)F6 octahedra,  a cornercorner with one Mn(11)F6 octahedra,  a cornercorner with one Mn(9)F6 octahedra,  a cornercorner with one Mn(3)OF5 octahedra,  a cornercorner with one Mn(4)OF5 octahedra, and  a cornercorner with one Mn(6)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 58-65°. In the second Li site, Li(2) is bonded to one F(10), one F(24), one F(4), and one F(5) atom to form LiF4 tetrahedra that share  a cornercorner with one Mn(10)F6 octahedra,  a cornercorner with one Mn(11)F6 octahedra,  a cornercorner with one Mn(2)OF5 octahedra,  a cornercorner with one Mn(3)OF5 octahedra,  a cornercorner with one Mn(4)OF5 octahedra,  a cornercorner with one Mn(8)F5 trigonal bipyramid, and  a cornercorner with one Mn(6)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 53-73°. In the third Li site, Li(3) is bonded to one F(12), one F(14), one F(19), and one F(7) atom to form distorted LiF4 tetrahedra that share  a cornercorner with one Mn(10)F6 octahedra,  a cornercorner with one Mn(11)F6 octahedra,  a cornercorner with one Mn(9)F6 octahedra,  a cornercorner with one Mn(2)OF5 octahedra,  a cornercorner with one Mn(3)OF5 octahedra,  a cornercorner with one Mn(4)OF5 octahedra,  a cornercorner with one Mn(8)F5 trigonal bipyramid,  a cornercorner with one Mn(6)OF4 trigonal bipyramid, and  a cornercorner with one Mn(7)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 25-76°. In the fourth Li site, Li(4) is bonded in a distorted trigonal non-coplanar geometry to one F(11), one F(6), and one F(9) atom. In the fifth Li site, Li(5) is bonded to one F(1), one F(13), one F(20), and one F(21) atom to form LiF4 tetrahedra that share  a cornercorner with one Mn(10)F6 octahedra,  a cornercorner with one Mn(11)F6 octahedra,  a cornercorner with one Mn(9)F6 octahedra,  a cornercorner with one Mn(2)OF5 octahedra,  a cornercorner with one Mn(3)OF5 octahedra,  a cornercorner with one Mn(8)F5 trigonal bipyramid, and  a cornercorner with one Mn(7)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-69°. In the sixth Li site, Li(6) is bonded to one F(16), one F(18), one F(2), and one F(22) atom to form LiF4 tetrahedra that share  a cornercorner with one Mn(11)F6 octahedra,  a cornercorner with one Mn(9)F6 octahedra,  a cornercorner with one Mn(2)OF5 octahedra,  a cornercorner with one Mn(3)OF5 octahedra,  a cornercorner with one Mn(4)OF5 octahedra,  a cornercorner with one Mn(7)OF4 trigonal bipyramid, and  an edgeedge with one Mn(8)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 49-67°. There are eleven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(1), one F(1), one F(22), one F(4), and one F(6) atom. In the second Mn site, Mn(2) is bonded to one O(2), one F(1), one F(2), one F(5), one F(7), and one F(9) atom to form MnOF5 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Li(3)F4 tetrahedra,  a cornercorner with one Li(5)F4 tetrahedra,  a cornercorner with one Li(6)F4 tetrahedra,  a cornercorner with one Mn(7)OF4 trigonal bipyramid,  an edgeedge with one Mn(3)OF5 octahedra,  an edgeedge with one Mn(4)OF5 octahedra, and  an edgeedge with one Mn(6)OF4 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(1), one F(1), one F(14), one F(18), one F(24), and one F(9) atom to form MnOF5 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Li(3)F4 tetrahedra,  a cornercorner with one Li(5)F4 tetrahedra,  a cornercorner with one Li(6)F4 tetrahedra,  a cornercorner with one Li(1)OF3 tetrahedra,  an edgeedge with one Mn(10)F6 octahedra,  an edgeedge with one Mn(11)F6 octahedra,  an edgeedge with one Mn(2)OF5 octahedra,  an edgeedge with one Mn(6)OF4 trigonal bipyramid, and  an edgeedge with one Mn(7)OF4 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded to one O(2), one F(12), one F(2), one F(4), one F(6), and one F(8) atom to form MnOF5 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Li(3)F4 tetrahedra,  a cornercorner with one Li(6)F4 tetrahedra,  a cornercorner with one Li(1)OF3 tetrahedra,  a cornercorner with one Mn(8)F5 trigonal bipyramid,  a cornercorner with one Mn(7)OF4 trigonal bipyramid, and  an edgeedge with one Mn(2)OF5 octahedra. In the fifth Mn site, Mn(5) is bonded in a 5-coordinate geometry to one O(2), one F(11), one F(13), one F(5), and one F(8) atom. In the sixth Mn site, Mn(6) is bonded to one O(1), one F(10), one F(15), one F(7), and one F(9) atom to form distorted MnOF4 trigonal bipyramids that share  a cornercorner with one Mn(10)F6 octahedra,  a cornercorner with one Mn(9)F6 octahedra,  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Li(3)F4 tetrahedra,  a cornercorner with one Li(1)OF3 tetrahedra,  a cornercorner with one Mn(8)F5 trigonal bipyramid,  an edgeedge with one Mn(2)OF5 octahedra, and  an edgeedge with one Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-63°. In the seventh Mn site, Mn(7) is bonded to one O(2), one F(13), one F(14), one F(17), and one F(18) atom to form distorted MnOF4 trigonal bipyramids that share  a cornercorner with one Mn(2)OF5 octahedra,  a cornercorner with one Mn(4)OF5 octahedra,  a cornercorner with one Li(3)F4 tetrahedra,  a cornercorner with one Li(5)F4 tetrahedra,  a cornercorner with one Li(6)F4 tetrahedra,  an edgeedge with one Mn(10)F6 octahedra,  an edgeedge with one Mn(11)F6 octahedra, and  an edgeedge with one Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 36-75°. In the eighth Mn site, Mn(8) is bonded to one F(10), one F(12), one F(16), one F(20), and one F(22) atom to form distorted MnF5 trigonal bipyramids that share  a cornercorner with one Mn(10)F6 octahedra,  a cornercorner with one Mn(9)F6 octahedra,  a cornercorner with one Mn(4)OF5 octahedra,  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Li(3)F4 tetrahedra,  a cornercorner with one Li(5)F4 tetrahedra,  a cornercorner with one Mn(6)OF4 trigonal bipyramid, and  an edgeedge with one Li(6)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-63°. In the ninth Mn site, Mn(9) is bonded to one F(11), one F(15), one F(16), one F(19), one F(21), and one F(23) atom to form MnF6 octahedra that share  a cornercorner with one Li(3)F4 tetrahedra,  a cornercorner with one Li(5)F4 tetrahedra,  a cornercorner with one Li(6)F4 tetrahedra,  a cornercorner with one Li(1)OF3 tetrahedra,  a cornercorner with one Mn(8)F5 trigonal bipyramid,  a cornercorner with one Mn(6)OF4 trigonal bipyramid,  an edgeedge with one Mn(10)F6 octahedra, and  an edgeedge with one Mn(11)F6 octahedra. In the tenth Mn site, Mn(10) is bonded to one F(14), one F(15), one F(17), one F(20), one F(23), and one F(24) atom to form MnF6 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Li(3)F4 tetrahedra,  a cornercorner with one Li(5)F4 tetrahedra,  a cornercorner with one Li(1)OF3 tetrahedra,  a cornercorner with one Mn(8)F5 trigonal bipyramid,  a cornercorner with one Mn(6)OF4 trigonal bipyramid,  an edgeedge with one Mn(11)F6 octahedra,  an edgeedge with one Mn(9)F6 octahedra,  an edgeedge with one Mn(3)OF5 octahedra, and  an edgeedge with one Mn(7)OF4 trigonal bipyramid. In the eleventh Mn site, Mn(11) is bonded to one F(17), one F(18), one F(19), one F(21), one F(24), and one F(3) atom to form distorted MnF6 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Li(3)F4 tetrahedra,  a cornercorner with one Li(5)F4 tetrahedra,  a cornercorner with one Li(6)F4 tetrahedra,  a cornercorner with one Li(1)OF3 tetrahedra,  an edgeedge with one Mn(10)F6 octahedra,  an edgeedge with one Mn(9)F6 octahedra,  an edgeedge with one Mn(3)OF5 octahedra, and  an edgeedge with one Mn(7)OF4 trigonal bipyramid. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mn(1), one Mn(3), and one Mn(6) atom to form OLiMn3 tetrahedra that share  a cornercorner with one F(18)LiMn3 tetrahedra,  a cornercorner with one F(24)LiMn3 tetrahedra, and  an edgeedge with one F(1)LiMn3 tetrahedra. In the second O site, O(2) is bonded to one Mn(2), one Mn(4), one Mn(5), and one Mn(7) atom to form distorted OMn4 trigonal pyramids that share  a cornercorner with one F(1)LiMn3 tetrahedra and  a cornercorner with one F(18)LiMn3 tetrahedra. There are twenty-four inequivalent F sites. In the first F site, F(1) is bonded to one Li(5), one Mn(1), one Mn(2), and one Mn(3) atom to form distorted FLiMn3 tetrahedra that share  a cornercorner with one F(18)LiMn3 tetrahedra,  a cornercorner with one F(24)LiMn3 tetrahedra,  a cornercorner with one O(2)Mn4 trigonal pyramid, and  an edgeedge with one O(1)LiMn3 tetrahedra. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(6), one Mn(2), and one Mn(4) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Li(1) and one Mn(11) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(1), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one Mn(5) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Li(4), one Mn(1), and one Mn(4) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Li(3), one Mn(2), and one Mn(6) atom. In the eighth F site, F(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(4), and one Mn(5) atom. In the ninth F site, F(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Mn(2), one Mn(3), and one Mn(6) atom. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one Li(2), one Mn(6), and one Mn(8) atom. In the eleventh F site, F(11) is bonded in a trigonal planar geometry to one Li(4), one Mn(5), and one Mn(9) atom. In the twelfth F site, F(12) is bonded in a trigonal planar geometry to one Li(3), one Mn(4), and one Mn(8) atom. In the thirteenth F site, F(13) is bonded in a 3-coordinate geometry to one Li(5), one Mn(5), and one Mn(7) atom. In the fourteenth F site, F(14) is bonded in a distorted see-saw-like geometry to one Li(3), one Mn(10), one Mn(3), and one Mn(7) atom. In the fifteenth F site, F(15) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(6), and one Mn(9) atom. In the sixteenth F site, F(16) is bonded in a trigonal non-coplanar geometry to one Li(6), one Mn(8), and one Mn(9) atom. In the seventeenth F site, F(17) is bonded in a distorted trigonal non-coplanar geometry to one Mn(10), one Mn(11), and one Mn(7) atom. In the eighteenth F site, F(18) is bonded to one Li(6), one Mn(11), one Mn(3), and one Mn(7) atom to form distorted FLiMn3 tetrahedra that share  a cornercorner with one O(1)LiMn3 tetrahedra,  a cornercorner with one F(1)LiMn3 tetrahedra,  a cornercorner with one O(2)Mn4 trigonal pyramid, and  an edgeedge with one F(24)LiMn3 tetrahedra. In the nineteenth F site, F(19) is bonded in a distorted T-shaped geometry to one Li(3), one Mn(11), and one Mn(9) atom. In the twentieth F site, F(20) is bonded in a trigonal planar geometry to one Li(5), one Mn(10), and one Mn(8) atom. In the twenty-first F site, F(21) is bonded in a distorted trigonal non-coplanar geometry to one Li(5), one Mn(11), and one Mn(9) atom. In the twenty-second F site, F(22) is bonded in a distorted trigonal non-coplanar geometry to one Li(6), one Mn(1), and one Mn(8) atom. In the twenty-third F site, F(23) is bonded in a trigonal planar geometry to one Li(1), one Mn(10), and one Mn(9) atom. In the twenty-fourth F site, F(24) is bonded to one Li(2), one Mn(10), one Mn(11), and one Mn(3) atom to form distorted FLiMn3 tetrahedra that share  a cornercorner with one O(1)LiMn3 tetrahedra,  a cornercorner with one F(1)LiMn3 tetrahedra, and  an edgeedge with one F(18)LiMn3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6Mn11(OF12)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.386
_cell_length_b   8.540
_cell_length_c   9.023
_cell_angle_alpha   109.217
_cell_angle_beta   107.098
_cell_angle_gamma   90.183
_symmetry_Int_Tables_number   1
_cell_volume   579.636
_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  0.412  0.094  0.237  1.0
  Li  Li1  1  0.086  0.211  0.452  1.0
  Li  Li2  1  0.294  0.573  0.936  1.0
  Li  Li3  1  0.704  0.383  0.085  1.0
  Li  Li4  1  0.926  0.803  0.551  1.0
  Li  Li5  1  0.581  0.897  0.742  1.0
  Mn  Mn6  1  0.285  0.112  0.852  1.0
  Mn  Mn7  1  0.870  0.217  0.740  1.0
  Mn  Mn8  1  0.008  0.001  0.992  1.0
  Mn  Mn9  1  0.484  0.284  0.673  1.0
  Mn  Mn10  1  0.708  0.391  0.474  1.0
  Mn  Mn11  1  0.152  0.356  0.154  1.0
  Mn  Mn12  1  0.869  0.613  0.852  1.0
  Mn  Mn13  1  0.282  0.630  0.573  1.0
  Mn  Mn14  1  0.530  0.721  0.334  1.0
  Mn  Mn15  1  0.126  0.798  0.253  1.0
  Mn  Mn16  1  0.722  0.882  0.157  1.0
  O  O17  1  0.233  0.134  0.065  1.0
  O  O18  1  0.719  0.404  0.721  1.0
  F  F19  1  0.996  0.002  0.745  1.0
  F  F20  1  0.636  0.069  0.677  1.0
  F  F21  1  0.621  0.101  0.199  1.0
  F  F22  1  0.248  0.148  0.619  1.0
  F  F23  1  0.896  0.234  0.517  1.0
  F  F24  1  0.497  0.288  0.921  1.0
  F  F25  1  0.111  0.393  0.908  1.0
  F  F26  1  0.455  0.294  0.427  1.0
  F  F27  1  0.890  0.249  0.024  1.0
  F  F28  1  0.129  0.404  0.392  1.0
  F  F29  1  0.655  0.492  0.286  1.0
  F  F30  1  0.343  0.505  0.735  1.0
  F  F31  1  0.888  0.627  0.625  1.0
  F  F32  1  0.107  0.755  0.986  1.0
  F  F33  1  0.277  0.592  0.242  1.0
  F  F34  1  0.520  0.691  0.555  1.0
  F  F35  1  0.873  0.660  0.108  1.0
  F  F36  1  0.766  0.861  0.914  1.0
  F  F37  1  0.507  0.706  0.086  1.0
  F  F38  1  0.106  0.762  0.464  1.0
  F  F39  1  0.759  0.859  0.392  1.0
  F  F40  1  0.369  0.876  0.774  1.0
  F  F41  1  0.367  0.920  0.323  1.0
  F  F42  1  0.994  0.008  0.239  1.0
[/CIF]
.
The compound described by Li6Mn11(OF12)2 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one F(23), one F(3), and one F(8) atom to form LiOF3 tetrahedra that share  a cornercorner with one Mn(10)F6 octahedra,  a cornercorner with one Mn(11)F6 octahedra,  a cornercorner with one Mn(9)F6 octahedra,  a cornercorner with one Mn(3)OF5 octahedra,  a cornercorner with one Mn(4)OF5 octahedra, and  a cornercorner with one Mn(6)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 58-65°. In the second Li site, Li(2) is bonded to one F(10), one F(24), one F(4), and one F(5) atom to form LiF4 tetrahedra that share  a cornercorner with one Mn(10)F6 octahedra,  a cornercorner with one Mn(11)F6 octahedra,  a cornercorner with one Mn(2)OF5 octahedra,  a cornercorner with one Mn(3)OF5 octahedra,  a cornercorner with one Mn(4)OF5 octahedra,  a cornercorner with one Mn(8)F5 trigonal bipyramid, and  a cornercorner with one Mn(6)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 53-73°. In the third Li site, Li(3) is bonded to one F(12), one F(14), one F(19), and one F(7) atom to form distorted LiF4 tetrahedra that share  a cornercorner with one Mn(10)F6 octahedra,  a cornercorner with one Mn(11)F6 octahedra,  a cornercorner with one Mn(9)F6 octahedra,  a cornercorner with one Mn(2)OF5 octahedra,  a cornercorner with one Mn(3)OF5 octahedra,  a cornercorner with one Mn(4)OF5 octahedra,  a cornercorner with one Mn(8)F5 trigonal bipyramid,  a cornercorner with one Mn(6)OF4 trigonal bipyramid, and  a cornercorner with one Mn(7)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 25-76°. In the fourth Li site, Li(4) is bonded in a distorted trigonal non-coplanar geometry to one F(11), one F(6), and one F(9) atom. In the fifth Li site, Li(5) is bonded to one F(1), one F(13), one F(20), and one F(21) atom to form LiF4 tetrahedra that share  a cornercorner with one Mn(10)F6 octahedra,  a cornercorner with one Mn(11)F6 octahedra,  a cornercorner with one Mn(9)F6 octahedra,  a cornercorner with one Mn(2)OF5 octahedra,  a cornercorner with one Mn(3)OF5 octahedra,  a cornercorner with one Mn(8)F5 trigonal bipyramid, and  a cornercorner with one Mn(7)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-69°. In the sixth Li site, Li(6) is bonded to one F(16), one F(18), one F(2), and one F(22) atom to form LiF4 tetrahedra that share  a cornercorner with one Mn(11)F6 octahedra,  a cornercorner with one Mn(9)F6 octahedra,  a cornercorner with one Mn(2)OF5 octahedra,  a cornercorner with one Mn(3)OF5 octahedra,  a cornercorner with one Mn(4)OF5 octahedra,  a cornercorner with one Mn(7)OF4 trigonal bipyramid, and  an edgeedge with one Mn(8)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 49-67°. There are eleven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(1), one F(1), one F(22), one F(4), and one F(6) atom. In the second Mn site, Mn(2) is bonded to one O(2), one F(1), one F(2), one F(5), one F(7), and one F(9) atom to form MnOF5 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Li(3)F4 tetrahedra,  a cornercorner with one Li(5)F4 tetrahedra,  a cornercorner with one Li(6)F4 tetrahedra,  a cornercorner with one Mn(7)OF4 trigonal bipyramid,  an edgeedge with one Mn(3)OF5 octahedra,  an edgeedge with one Mn(4)OF5 octahedra, and  an edgeedge with one Mn(6)OF4 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(1), one F(1), one F(14), one F(18), one F(24), and one F(9) atom to form MnOF5 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Li(3)F4 tetrahedra,  a cornercorner with one Li(5)F4 tetrahedra,  a cornercorner with one Li(6)F4 tetrahedra,  a cornercorner with one Li(1)OF3 tetrahedra,  an edgeedge with one Mn(10)F6 octahedra,  an edgeedge with one Mn(11)F6 octahedra,  an edgeedge with one Mn(2)OF5 octahedra,  an edgeedge with one Mn(6)OF4 trigonal bipyramid, and  an edgeedge with one Mn(7)OF4 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded to one O(2), one F(12), one F(2), one F(4), one F(6), and one F(8) atom to form MnOF5 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Li(3)F4 tetrahedra,  a cornercorner with one Li(6)F4 tetrahedra,  a cornercorner with one Li(1)OF3 tetrahedra,  a cornercorner with one Mn(8)F5 trigonal bipyramid,  a cornercorner with one Mn(7)OF4 trigonal bipyramid, and  an edgeedge with one Mn(2)OF5 octahedra. In the fifth Mn site, Mn(5) is bonded in a 5-coordinate geometry to one O(2), one F(11), one F(13), one F(5), and one F(8) atom. In the sixth Mn site, Mn(6) is bonded to one O(1), one F(10), one F(15), one F(7), and one F(9) atom to form distorted MnOF4 trigonal bipyramids that share  a cornercorner with one Mn(10)F6 octahedra,  a cornercorner with one Mn(9)F6 octahedra,  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Li(3)F4 tetrahedra,  a cornercorner with one Li(1)OF3 tetrahedra,  a cornercorner with one Mn(8)F5 trigonal bipyramid,  an edgeedge with one Mn(2)OF5 octahedra, and  an edgeedge with one Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-63°. In the seventh Mn site, Mn(7) is bonded to one O(2), one F(13), one F(14), one F(17), and one F(18) atom to form distorted MnOF4 trigonal bipyramids that share  a cornercorner with one Mn(2)OF5 octahedra,  a cornercorner with one Mn(4)OF5 octahedra,  a cornercorner with one Li(3)F4 tetrahedra,  a cornercorner with one Li(5)F4 tetrahedra,  a cornercorner with one Li(6)F4 tetrahedra,  an edgeedge with one Mn(10)F6 octahedra,  an edgeedge with one Mn(11)F6 octahedra, and  an edgeedge with one Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 36-75°. In the eighth Mn site, Mn(8) is bonded to one F(10), one F(12), one F(16), one F(20), and one F(22) atom to form distorted MnF5 trigonal bipyramids that share  a cornercorner with one Mn(10)F6 octahedra,  a cornercorner with one Mn(9)F6 octahedra,  a cornercorner with one Mn(4)OF5 octahedra,  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Li(3)F4 tetrahedra,  a cornercorner with one Li(5)F4 tetrahedra,  a cornercorner with one Mn(6)OF4 trigonal bipyramid, and  an edgeedge with one Li(6)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-63°. In the ninth Mn site, Mn(9) is bonded to one F(11), one F(15), one F(16), one F(19), one F(21), and one F(23) atom to form MnF6 octahedra that share  a cornercorner with one Li(3)F4 tetrahedra,  a cornercorner with one Li(5)F4 tetrahedra,  a cornercorner with one Li(6)F4 tetrahedra,  a cornercorner with one Li(1)OF3 tetrahedra,  a cornercorner with one Mn(8)F5 trigonal bipyramid,  a cornercorner with one Mn(6)OF4 trigonal bipyramid,  an edgeedge with one Mn(10)F6 octahedra, and  an edgeedge with one Mn(11)F6 octahedra. In the tenth Mn site, Mn(10) is bonded to one F(14), one F(15), one F(17), one F(20), one F(23), and one F(24) atom to form MnF6 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Li(3)F4 tetrahedra,  a cornercorner with one Li(5)F4 tetrahedra,  a cornercorner with one Li(1)OF3 tetrahedra,  a cornercorner with one Mn(8)F5 trigonal bipyramid,  a cornercorner with one Mn(6)OF4 trigonal bipyramid,  an edgeedge with one Mn(11)F6 octahedra,  an edgeedge with one Mn(9)F6 octahedra,  an edgeedge with one Mn(3)OF5 octahedra, and  an edgeedge with one Mn(7)OF4 trigonal bipyramid. In the eleventh Mn site, Mn(11) is bonded to one F(17), one F(18), one F(19), one F(21), one F(24), and one F(3) atom to form distorted MnF6 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Li(3)F4 tetrahedra,  a cornercorner with one Li(5)F4 tetrahedra,  a cornercorner with one Li(6)F4 tetrahedra,  a cornercorner with one Li(1)OF3 tetrahedra,  an edgeedge with one Mn(10)F6 octahedra,  an edgeedge with one Mn(9)F6 octahedra,  an edgeedge with one Mn(3)OF5 octahedra, and  an edgeedge with one Mn(7)OF4 trigonal bipyramid. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mn(1), one Mn(3), and one Mn(6) atom to form OLiMn3 tetrahedra that share  a cornercorner with one F(18)LiMn3 tetrahedra,  a cornercorner with one F(24)LiMn3 tetrahedra, and  an edgeedge with one F(1)LiMn3 tetrahedra. In the second O site, O(2) is bonded to one Mn(2), one Mn(4), one Mn(5), and one Mn(7) atom to form distorted OMn4 trigonal pyramids that share  a cornercorner with one F(1)LiMn3 tetrahedra and  a cornercorner with one F(18)LiMn3 tetrahedra. There are twenty-four inequivalent F sites. In the first F site, F(1) is bonded to one Li(5), one Mn(1), one Mn(2), and one Mn(3) atom to form distorted FLiMn3 tetrahedra that share  a cornercorner with one F(18)LiMn3 tetrahedra,  a cornercorner with one F(24)LiMn3 tetrahedra,  a cornercorner with one O(2)Mn4 trigonal pyramid, and  an edgeedge with one O(1)LiMn3 tetrahedra. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(6), one Mn(2), and one Mn(4) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Li(1) and one Mn(11) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(1), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one Mn(5) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Li(4), one Mn(1), and one Mn(4) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Li(3), one Mn(2), and one Mn(6) atom. In the eighth F site, F(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(4), and one Mn(5) atom. In the ninth F site, F(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Mn(2), one Mn(3), and one Mn(6) atom. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one Li(2), one Mn(6), and one Mn(8) atom. In the eleventh F site, F(11) is bonded in a trigonal planar geometry to one Li(4), one Mn(5), and one Mn(9) atom. In the twelfth F site, F(12) is bonded in a trigonal planar geometry to one Li(3), one Mn(4), and one Mn(8) atom. In the thirteenth F site, F(13) is bonded in a 3-coordinate geometry to one Li(5), one Mn(5), and one Mn(7) atom. In the fourteenth F site, F(14) is bonded in a distorted see-saw-like geometry to one Li(3), one Mn(10), one Mn(3), and one Mn(7) atom. In the fifteenth F site, F(15) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(6), and one Mn(9) atom. In the sixteenth F site, F(16) is bonded in a trigonal non-coplanar geometry to one Li(6), one Mn(8), and one Mn(9) atom. In the seventeenth F site, F(17) is bonded in a distorted trigonal non-coplanar geometry to one Mn(10), one Mn(11), and one Mn(7) atom. In the eighteenth F site, F(18) is bonded to one Li(6), one Mn(11), one Mn(3), and one Mn(7) atom to form distorted FLiMn3 tetrahedra that share  a cornercorner with one O(1)LiMn3 tetrahedra,  a cornercorner with one F(1)LiMn3 tetrahedra,  a cornercorner with one O(2)Mn4 trigonal pyramid, and  an edgeedge with one F(24)LiMn3 tetrahedra. In the nineteenth F site, F(19) is bonded in a distorted T-shaped geometry to one Li(3), one Mn(11), and one Mn(9) atom. In the twentieth F site, F(20) is bonded in a trigonal planar geometry to one Li(5), one Mn(10), and one Mn(8) atom. In the twenty-first F site, F(21) is bonded in a distorted trigonal non-coplanar geometry to one Li(5), one Mn(11), and one Mn(9) atom. In the twenty-second F site, F(22) is bonded in a distorted trigonal non-coplanar geometry to one Li(6), one Mn(1), and one Mn(8) atom. In the twenty-third F site, F(23) is bonded in a trigonal planar geometry to one Li(1), one Mn(10), and one Mn(9) atom. In the twenty-fourth F site, F(24) is bonded to one Li(2), one Mn(10), one Mn(11), and one Mn(3) atom to form distorted FLiMn3 tetrahedra that share  a cornercorner with one O(1)LiMn3 tetrahedra,  a cornercorner with one F(1)LiMn3 tetrahedra, and  an edgeedge with one F(18)LiMn3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6Mn11(OF12)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.386
_cell_length_b   8.540
_cell_length_c   9.023
_cell_angle_alpha   109.217
_cell_angle_beta   107.098
_cell_angle_gamma   90.183
_symmetry_Int_Tables_number   1
_cell_volume   579.636
_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  0.412  0.094  0.237  1.0
  Li  Li1  1  0.086  0.211  0.452  1.0
  Li  Li2  1  0.294  0.573  0.936  1.0
  Li  Li3  1  0.704  0.383  0.085  1.0
  Li  Li4  1  0.926  0.803  0.551  1.0
  Li  Li5  1  0.581  0.897  0.742  1.0
  Mn  Mn6  1  0.285  0.112  0.852  1.0
  Mn  Mn7  1  0.870  0.217  0.740  1.0
  Mn  Mn8  1  0.008  0.001  0.992  1.0
  Mn  Mn9  1  0.484  0.284  0.673  1.0
  Mn  Mn10  1  0.708  0.391  0.474  1.0
  Mn  Mn11  1  0.152  0.356  0.154  1.0
  Mn  Mn12  1  0.869  0.613  0.852  1.0
  Mn  Mn13  1  0.282  0.630  0.573  1.0
  Mn  Mn14  1  0.530  0.721  0.334  1.0
  Mn  Mn15  1  0.126  0.798  0.253  1.0
  Mn  Mn16  1  0.722  0.882  0.157  1.0
  O  O17  1  0.233  0.134  0.065  1.0
  O  O18  1  0.719  0.404  0.721  1.0
  F  F19  1  0.996  0.002  0.745  1.0
  F  F20  1  0.636  0.069  0.677  1.0
  F  F21  1  0.621  0.101  0.199  1.0
  F  F22  1  0.248  0.148  0.619  1.0
  F  F23  1  0.896  0.234  0.517  1.0
  F  F24  1  0.497  0.288  0.921  1.0
  F  F25  1  0.111  0.393  0.908  1.0
  F  F26  1  0.455  0.294  0.427  1.0
  F  F27  1  0.890  0.249  0.024  1.0
  F  F28  1  0.129  0.404  0.392  1.0
  F  F29  1  0.655  0.492  0.286  1.0
  F  F30  1  0.343  0.505  0.735  1.0
  F  F31  1  0.888  0.627  0.625  1.0
  F  F32  1  0.107  0.755  0.986  1.0
  F  F33  1  0.277  0.592  0.242  1.0
  F  F34  1  0.520  0.691  0.555  1.0
  F  F35  1  0.873  0.660  0.108  1.0
  F  F36  1  0.766  0.861  0.914  1.0
  F  F37  1  0.507  0.706  0.086  1.0
  F  F38  1  0.106  0.762  0.464  1.0
  F  F39  1  0.759  0.859  0.392  1.0
  F  F40  1  0.369  0.876  0.774  1.0
  F  F41  1  0.367  0.920  0.323  1.0
  F  F42  1  0.994  0.008  0.239  1.0
[/CIF]
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