The structure described by Li2Mn2OF4 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(12), one F(2), one F(6), and two equivalent F(1) atoms to form distorted LiF5 square pyramids that share  a cornercorner with one Mn(5)O2F4 octahedra, corners with two equivalent Li(1)F5 square pyramids,  a cornercorner with one Li(7)F5 trigonal bipyramid,  a cornercorner with one Mn(2)O2F3 trigonal bipyramid,  a cornercorner with one Mn(6)O2F3 trigonal bipyramid, edges with two equivalent Li(2)F5 trigonal bipyramids, and edges with two equivalent Mn(3)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 42°. In the second Li site, Li(2) is bonded to one F(1), one F(15), one F(3), and two equivalent F(2) atoms to form LiF5 trigonal bipyramids that share  a cornercorner with one Mn(8)O2F4 octahedra,  a cornercorner with one Li(8)OF4 trigonal bipyramid,  a cornercorner with one Mn(3)OF4 trigonal bipyramid, corners with two equivalent Li(2)F5 trigonal bipyramids, edges with two equivalent Li(1)F5 square pyramids, and edges with two equivalent Li(7)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 32°. In the third Li site, Li(3) is bonded to one O(2), one F(10), one F(9), and two equivalent F(7) atoms to form LiOF4 trigonal bipyramids that share  a cornercorner with one Mn(5)O2F4 octahedra,  a cornercorner with one Mn(2)O2F3 trigonal bipyramid, corners with two equivalent Li(3)OF4 trigonal bipyramids, and edges with two equivalent Li(6)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 42°. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one F(10), one F(14), one F(5), and two equivalent F(8) atoms. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(1), one F(11), one F(7), and two equivalent F(9) atoms. In the sixth Li site, Li(6) is bonded to one O(4), one F(7), one F(8), and two equivalent F(10) atoms to form LiOF4 trigonal bipyramids that share  a cornercorner with one Mn(8)O2F4 octahedra,  a cornercorner with one Mn(7)OF4 trigonal bipyramid, corners with two equivalent Li(6)OF4 trigonal bipyramids, edges with two equivalent Mn(5)O2F4 octahedra, and edges with two equivalent Li(3)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. In the seventh Li site, Li(7) is bonded to one F(13), one F(16), one F(2), and two equivalent F(15) atoms to form LiF5 trigonal bipyramids that share  a cornercorner with one Mn(5)O2F4 octahedra,  a cornercorner with one Li(1)F5 square pyramid,  a cornercorner with one Mn(6)O2F3 trigonal bipyramid, corners with two equivalent Li(7)F5 trigonal bipyramids, edges with two equivalent Mn(8)O2F4 octahedra, edges with two equivalent Li(2)F5 trigonal bipyramids, and edges with two equivalent Li(8)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. In the eighth Li site, Li(8) is bonded to one O(3), one F(15), one F(4), and two equivalent F(16) atoms to form distorted LiOF4 trigonal bipyramids that share  a cornercorner with one Li(2)F5 trigonal bipyramid,  a cornercorner with one Mn(3)OF4 trigonal bipyramid,  a cornercorner with one Mn(7)OF4 trigonal bipyramid, corners with two equivalent Li(8)OF4 trigonal bipyramids,  an edgeedge with one Mn(8)O2F4 octahedra, edges with two equivalent Li(7)F5 trigonal bipyramids, and edges with two equivalent Mn(6)O2F3 trigonal bipyramids. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(2), one F(2), one F(5), and two equivalent F(3) atoms. In the second Mn site, Mn(2) is bonded to two equivalent O(1), one F(5), one F(6), and one F(9) atom to form distorted MnO2F3 trigonal bipyramids that share  a cornercorner with one Li(1)F5 square pyramid,  a cornercorner with one Li(3)OF4 trigonal bipyramid, corners with two equivalent Mn(2)O2F3 trigonal bipyramids, and edges with two equivalent Mn(3)OF4 trigonal bipyramids. In the third Mn site, Mn(3) is bonded to one O(1), one F(1), one F(4), and two equivalent F(6) atoms to form MnOF4 trigonal bipyramids that share  a cornercorner with one Li(2)F5 trigonal bipyramid,  a cornercorner with one Li(8)OF4 trigonal bipyramid, corners with two equivalent Mn(3)OF4 trigonal bipyramids, edges with two equivalent Li(1)F5 square pyramids, and edges with two equivalent Mn(2)O2F3 trigonal bipyramids. In the fourth Mn site, Mn(4) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), one F(4), and one F(7) atom. In the fifth Mn site, Mn(5) is bonded to two equivalent O(4), one F(10), one F(12), one F(13), and one F(14) atom to form distorted MnO2F4 octahedra that share corners with two equivalent Mn(5)O2F4 octahedra,  a cornercorner with one Li(1)F5 square pyramid,  a cornercorner with one Li(7)F5 trigonal bipyramid,  a cornercorner with one Li(3)OF4 trigonal bipyramid, corners with two equivalent Mn(7)OF4 trigonal bipyramids, edges with two equivalent Mn(8)O2F4 octahedra,  an edgeedge with one Mn(6)O2F3 trigonal bipyramid, and edges with two equivalent Li(6)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 28°. In the sixth Mn site, Mn(6) is bonded to two equivalent O(3), one F(12), one F(14), and one F(16) atom to form MnO2F3 trigonal bipyramids that share corners with two equivalent Mn(8)O2F4 octahedra,  a cornercorner with one Li(1)F5 square pyramid,  a cornercorner with one Li(7)F5 trigonal bipyramid, corners with two equivalent Mn(6)O2F3 trigonal bipyramids,  an edgeedge with one Mn(5)O2F4 octahedra, edges with two equivalent Li(8)OF4 trigonal bipyramids, and edges with two equivalent Mn(7)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 71-72°. In the seventh Mn site, Mn(7) is bonded to one O(3), one F(11), one F(8), and two equivalent F(14) atoms to form MnOF4 trigonal bipyramids that share corners with two equivalent Mn(5)O2F4 octahedra,  a cornercorner with one Li(6)OF4 trigonal bipyramid,  a cornercorner with one Li(8)OF4 trigonal bipyramid, corners with two equivalent Mn(7)OF4 trigonal bipyramids,  an edgeedge with one Mn(8)O2F4 octahedra, and edges with two equivalent Mn(6)O2F3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 69-71°. In the eighth Mn site, Mn(8) is bonded to one O(3), one O(4), one F(11), one F(15), and two equivalent F(13) atoms to form distorted MnO2F4 octahedra that share corners with two equivalent Mn(8)O2F4 octahedra,  a cornercorner with one Li(2)F5 trigonal bipyramid,  a cornercorner with one Li(6)OF4 trigonal bipyramid, corners with two equivalent Mn(6)O2F3 trigonal bipyramids, edges with two equivalent Mn(5)O2F4 octahedra,  an edgeedge with one Li(8)OF4 trigonal bipyramid,  an edgeedge with one Mn(7)OF4 trigonal bipyramid, and edges with two equivalent Li(7)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 34°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(5), one Mn(3), one Mn(4), and two equivalent Mn(2) atoms to form OLiMn4 trigonal bipyramids that share corners with two equivalent O(2)LiMn3 tetrahedra, corners with two equivalent O(1)LiMn4 trigonal bipyramids, and  an edgeedge with one F(7)Li4Mn trigonal bipyramid. In the second O site, O(2) is bonded to one Li(3), one Mn(1), and two equivalent Mn(4) atoms to form distorted OLiMn3 tetrahedra that share corners with two equivalent O(2)LiMn3 tetrahedra,  a cornercorner with one F(10)Li4Mn trigonal bipyramid,  a cornercorner with one F(2)Li4Mn trigonal bipyramid, corners with two equivalent O(1)LiMn4 trigonal bipyramids, and edges with two equivalent F(7)Li4Mn trigonal bipyramids. In the third O site, O(3) is bonded to one Li(8), one Mn(7), one Mn(8), and two equivalent Mn(6) atoms to form OLiMn4 trigonal bipyramids that share  a cornercorner with one F(8)Li3Mn tetrahedra, corners with two equivalent F(13)LiMn3 tetrahedra, corners with two equivalent O(3)LiMn4 trigonal bipyramids,  an edgeedge with one F(15)Li4Mn trigonal bipyramid, and edges with two equivalent F(14)LiMn4 trigonal bipyramids. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(6), one Mn(8), and two equivalent Mn(5) atoms. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded in a see-saw-like geometry to one Li(2), two equivalent Li(1), and one Mn(3) atom. In the second F site, F(2) is bonded to one Li(1), one Li(7), two equivalent Li(2), and one Mn(1) atom to form distorted FLi4Mn trigonal bipyramids that share  a cornercorner with one O(2)LiMn3 tetrahedra,  a cornercorner with one F(13)LiMn3 tetrahedra, corners with two equivalent F(2)Li4Mn trigonal bipyramids, and edges with two equivalent F(15)Li4Mn trigonal bipyramids. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(2) and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Li(8), one Mn(3), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(4), one Mn(1), and one Mn(2) atom. In the sixth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), and two equivalent Mn(3) atoms. In the seventh F site, F(7) is bonded to one Li(5), one Li(6), two equivalent Li(3), and one Mn(4) atom to form distorted FLi4Mn trigonal bipyramids that share  a cornercorner with one F(8)Li3Mn tetrahedra, corners with two equivalent F(7)Li4Mn trigonal bipyramids, edges with two equivalent O(2)LiMn3 tetrahedra,  an edgeedge with one O(1)LiMn4 trigonal bipyramid, and edges with two equivalent F(10)Li4Mn trigonal bipyramids. In the eighth F site, F(8) is bonded to one Li(6), two equivalent Li(4), and one Mn(7) atom to form FLi3Mn tetrahedra that share corners with two equivalent F(8)Li3Mn tetrahedra,  a cornercorner with one O(3)LiMn4 trigonal bipyramid,  a cornercorner with one F(7)Li4Mn trigonal bipyramid, edges with two equivalent F(10)Li4Mn trigonal bipyramids, and edges with two equivalent F(14)LiMn4 trigonal bipyramids. In the ninth F site, F(9) is bonded in a see-saw-like geometry to one Li(3), two equivalent Li(5), and one Mn(2) atom. In the tenth F site, F(10) is bonded to one Li(3), one Li(4), two equivalent Li(6), and one Mn(5) atom to form distorted FLi4Mn trigonal bipyramids that share  a cornercorner with one O(2)LiMn3 tetrahedra,  a cornercorner with one F(13)LiMn3 tetrahedra, corners with two equivalent F(10)Li4Mn trigonal bipyramids, edges with two equivalent F(8)Li3Mn tetrahedra,  an edgeedge with one F(14)LiMn4 trigonal bipyramid, and edges with two equivalent F(7)Li4Mn trigonal bipyramids. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Li(5), one Mn(7), and one Mn(8) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(5), and one Mn(6) atom. In the thirteenth F site, F(13) is bonded to one Li(7), one Mn(5), and two equivalent Mn(8) atoms to form distorted FLiMn3 tetrahedra that share corners with two equivalent F(13)LiMn3 tetrahedra,  a cornercorner with one F(10)Li4Mn trigonal bipyramid,  a cornercorner with one F(2)Li4Mn trigonal bipyramid,  a cornercorner with one F(14)LiMn4 trigonal bipyramid, corners with two equivalent O(3)LiMn4 trigonal bipyramids, and edges with two equivalent F(15)Li4Mn trigonal bipyramids. In the fourteenth F site, F(14) is bonded to one Li(4), one Mn(5), one Mn(6), and two equivalent Mn(7) atoms to form distorted FLiMn4 trigonal bipyramids that share  a cornercorner with one F(13)LiMn3 tetrahedra, corners with two equivalent F(14)LiMn4 trigonal bipyramids, edges with two equivalent F(8)Li3Mn tetrahedra,  an edgeedge with one F(10)Li4Mn trigonal bipyramid, and edges with two equivalent O(3)LiMn4 trigonal bipyramids. In the fifteenth F site, F(15) is bonded to one Li(2), one Li(8), two equivalent Li(7), and one Mn(8) atom to form distorted FLi4Mn trigonal bipyramids that share corners with two equivalent F(15)Li4Mn trigonal bipyramids, edges with two equivalent F(13)LiMn3 tetrahedra,  an edgeedge with one O(3)LiMn4 trigonal bipyramid, and edges with two equivalent F(2)Li4Mn trigonal bipyramids. In the sixteenth F site, F(16) is bonded in a see-saw-like geometry to one Li(7), two equivalent Li(8), and one Mn(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Mn2OF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.020
_cell_length_b   8.492
_cell_length_c   13.722
_cell_angle_alpha   98.392
_cell_angle_beta   90.044
_cell_angle_gamma   90.018
_symmetry_Int_Tables_number   1
_cell_volume   463.428
_cell_formula_units_Z   4
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  0.737  0.211  0.989  1.0
  Li  Li1  1  0.244  0.406  0.943  1.0
  Li  Li2  1  0.747  0.588  0.555  1.0
  Li  Li3  1  0.766  0.215  0.501  1.0
  Li  Li4  1  0.241  0.794  0.512  1.0
  Li  Li5  1  0.255  0.415  0.433  1.0
  Li  Li6  1  0.752  0.584  0.048  1.0
  Li  Li7  1  0.259  0.785  0.019  1.0
  Mn  Mn8  1  0.745  0.395  0.760  1.0
  Mn  Mn9  1  0.738  0.963  0.665  1.0
  Mn  Mn10  1  0.235  0.006  0.843  1.0
  Mn  Mn11  1  0.246  0.668  0.719  1.0
  Mn  Mn12  1  0.754  0.368  0.269  1.0
  Mn  Mn13  1  0.764  0.966  0.159  1.0
  Mn  Mn14  1  0.265  0.020  0.334  1.0
  Mn  Mn15  1  0.255  0.648  0.234  1.0
  O  O16  1  0.239  0.914  0.692  1.0
  O  O17  1  0.746  0.604  0.704  1.0
  O  O18  1  0.263  0.903  0.189  1.0
  O  O19  1  0.254  0.424  0.287  1.0
  F  F20  1  0.239  0.182  0.967  1.0
  F  F21  1  0.745  0.413  0.936  1.0
  F  F22  1  0.246  0.388  0.798  1.0
  F  F23  1  0.251  0.780  0.879  1.0
  F  F24  1  0.753  0.204  0.640  1.0
  F  F25  1  0.736  0.080  0.836  1.0
  F  F26  1  0.248  0.586  0.547  1.0
  F  F27  1  0.260  0.175  0.467  1.0
  F  F28  1  0.743  0.819  0.527  1.0
  F  F29  1  0.754  0.407  0.447  1.0
  F  F30  1  0.246  0.797  0.375  1.0
  F  F31  1  0.748  0.200  0.129  1.0
  F  F32  1  0.754  0.607  0.193  1.0
  F  F33  1  0.764  0.102  0.322  1.0
  F  F34  1  0.252  0.574  0.054  1.0
  F  F35  1  0.757  0.808  0.028  1.0
[/CIF]
.
The structure described by Li2Mn2OF4 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(12), one F(2), one F(6), and two equivalent F(1) atoms to form distorted LiF5 square pyramids that share  a cornercorner with one Mn(5)O2F4 octahedra, corners with two equivalent Li(1)F5 square pyramids,  a cornercorner with one Li(7)F5 trigonal bipyramid,  a cornercorner with one Mn(2)O2F3 trigonal bipyramid,  a cornercorner with one Mn(6)O2F3 trigonal bipyramid, edges with two equivalent Li(2)F5 trigonal bipyramids, and edges with two equivalent Mn(3)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 42°. In the second Li site, Li(2) is bonded to one F(1), one F(15), one F(3), and two equivalent F(2) atoms to form LiF5 trigonal bipyramids that share  a cornercorner with one Mn(8)O2F4 octahedra,  a cornercorner with one Li(8)OF4 trigonal bipyramid,  a cornercorner with one Mn(3)OF4 trigonal bipyramid, corners with two equivalent Li(2)F5 trigonal bipyramids, edges with two equivalent Li(1)F5 square pyramids, and edges with two equivalent Li(7)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 32°. In the third Li site, Li(3) is bonded to one O(2), one F(10), one F(9), and two equivalent F(7) atoms to form LiOF4 trigonal bipyramids that share  a cornercorner with one Mn(5)O2F4 octahedra,  a cornercorner with one Mn(2)O2F3 trigonal bipyramid, corners with two equivalent Li(3)OF4 trigonal bipyramids, and edges with two equivalent Li(6)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 42°. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one F(10), one F(14), one F(5), and two equivalent F(8) atoms. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(1), one F(11), one F(7), and two equivalent F(9) atoms. In the sixth Li site, Li(6) is bonded to one O(4), one F(7), one F(8), and two equivalent F(10) atoms to form LiOF4 trigonal bipyramids that share  a cornercorner with one Mn(8)O2F4 octahedra,  a cornercorner with one Mn(7)OF4 trigonal bipyramid, corners with two equivalent Li(6)OF4 trigonal bipyramids, edges with two equivalent Mn(5)O2F4 octahedra, and edges with two equivalent Li(3)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. In the seventh Li site, Li(7) is bonded to one F(13), one F(16), one F(2), and two equivalent F(15) atoms to form LiF5 trigonal bipyramids that share  a cornercorner with one Mn(5)O2F4 octahedra,  a cornercorner with one Li(1)F5 square pyramid,  a cornercorner with one Mn(6)O2F3 trigonal bipyramid, corners with two equivalent Li(7)F5 trigonal bipyramids, edges with two equivalent Mn(8)O2F4 octahedra, edges with two equivalent Li(2)F5 trigonal bipyramids, and edges with two equivalent Li(8)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. In the eighth Li site, Li(8) is bonded to one O(3), one F(15), one F(4), and two equivalent F(16) atoms to form distorted LiOF4 trigonal bipyramids that share  a cornercorner with one Li(2)F5 trigonal bipyramid,  a cornercorner with one Mn(3)OF4 trigonal bipyramid,  a cornercorner with one Mn(7)OF4 trigonal bipyramid, corners with two equivalent Li(8)OF4 trigonal bipyramids,  an edgeedge with one Mn(8)O2F4 octahedra, edges with two equivalent Li(7)F5 trigonal bipyramids, and edges with two equivalent Mn(6)O2F3 trigonal bipyramids. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(2), one F(2), one F(5), and two equivalent F(3) atoms. In the second Mn site, Mn(2) is bonded to two equivalent O(1), one F(5), one F(6), and one F(9) atom to form distorted MnO2F3 trigonal bipyramids that share  a cornercorner with one Li(1)F5 square pyramid,  a cornercorner with one Li(3)OF4 trigonal bipyramid, corners with two equivalent Mn(2)O2F3 trigonal bipyramids, and edges with two equivalent Mn(3)OF4 trigonal bipyramids. In the third Mn site, Mn(3) is bonded to one O(1), one F(1), one F(4), and two equivalent F(6) atoms to form MnOF4 trigonal bipyramids that share  a cornercorner with one Li(2)F5 trigonal bipyramid,  a cornercorner with one Li(8)OF4 trigonal bipyramid, corners with two equivalent Mn(3)OF4 trigonal bipyramids, edges with two equivalent Li(1)F5 square pyramids, and edges with two equivalent Mn(2)O2F3 trigonal bipyramids. In the fourth Mn site, Mn(4) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), one F(4), and one F(7) atom. In the fifth Mn site, Mn(5) is bonded to two equivalent O(4), one F(10), one F(12), one F(13), and one F(14) atom to form distorted MnO2F4 octahedra that share corners with two equivalent Mn(5)O2F4 octahedra,  a cornercorner with one Li(1)F5 square pyramid,  a cornercorner with one Li(7)F5 trigonal bipyramid,  a cornercorner with one Li(3)OF4 trigonal bipyramid, corners with two equivalent Mn(7)OF4 trigonal bipyramids, edges with two equivalent Mn(8)O2F4 octahedra,  an edgeedge with one Mn(6)O2F3 trigonal bipyramid, and edges with two equivalent Li(6)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 28°. In the sixth Mn site, Mn(6) is bonded to two equivalent O(3), one F(12), one F(14), and one F(16) atom to form MnO2F3 trigonal bipyramids that share corners with two equivalent Mn(8)O2F4 octahedra,  a cornercorner with one Li(1)F5 square pyramid,  a cornercorner with one Li(7)F5 trigonal bipyramid, corners with two equivalent Mn(6)O2F3 trigonal bipyramids,  an edgeedge with one Mn(5)O2F4 octahedra, edges with two equivalent Li(8)OF4 trigonal bipyramids, and edges with two equivalent Mn(7)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 71-72°. In the seventh Mn site, Mn(7) is bonded to one O(3), one F(11), one F(8), and two equivalent F(14) atoms to form MnOF4 trigonal bipyramids that share corners with two equivalent Mn(5)O2F4 octahedra,  a cornercorner with one Li(6)OF4 trigonal bipyramid,  a cornercorner with one Li(8)OF4 trigonal bipyramid, corners with two equivalent Mn(7)OF4 trigonal bipyramids,  an edgeedge with one Mn(8)O2F4 octahedra, and edges with two equivalent Mn(6)O2F3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 69-71°. In the eighth Mn site, Mn(8) is bonded to one O(3), one O(4), one F(11), one F(15), and two equivalent F(13) atoms to form distorted MnO2F4 octahedra that share corners with two equivalent Mn(8)O2F4 octahedra,  a cornercorner with one Li(2)F5 trigonal bipyramid,  a cornercorner with one Li(6)OF4 trigonal bipyramid, corners with two equivalent Mn(6)O2F3 trigonal bipyramids, edges with two equivalent Mn(5)O2F4 octahedra,  an edgeedge with one Li(8)OF4 trigonal bipyramid,  an edgeedge with one Mn(7)OF4 trigonal bipyramid, and edges with two equivalent Li(7)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 34°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(5), one Mn(3), one Mn(4), and two equivalent Mn(2) atoms to form OLiMn4 trigonal bipyramids that share corners with two equivalent O(2)LiMn3 tetrahedra, corners with two equivalent O(1)LiMn4 trigonal bipyramids, and  an edgeedge with one F(7)Li4Mn trigonal bipyramid. In the second O site, O(2) is bonded to one Li(3), one Mn(1), and two equivalent Mn(4) atoms to form distorted OLiMn3 tetrahedra that share corners with two equivalent O(2)LiMn3 tetrahedra,  a cornercorner with one F(10)Li4Mn trigonal bipyramid,  a cornercorner with one F(2)Li4Mn trigonal bipyramid, corners with two equivalent O(1)LiMn4 trigonal bipyramids, and edges with two equivalent F(7)Li4Mn trigonal bipyramids. In the third O site, O(3) is bonded to one Li(8), one Mn(7), one Mn(8), and two equivalent Mn(6) atoms to form OLiMn4 trigonal bipyramids that share  a cornercorner with one F(8)Li3Mn tetrahedra, corners with two equivalent F(13)LiMn3 tetrahedra, corners with two equivalent O(3)LiMn4 trigonal bipyramids,  an edgeedge with one F(15)Li4Mn trigonal bipyramid, and edges with two equivalent F(14)LiMn4 trigonal bipyramids. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(6), one Mn(8), and two equivalent Mn(5) atoms. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded in a see-saw-like geometry to one Li(2), two equivalent Li(1), and one Mn(3) atom. In the second F site, F(2) is bonded to one Li(1), one Li(7), two equivalent Li(2), and one Mn(1) atom to form distorted FLi4Mn trigonal bipyramids that share  a cornercorner with one O(2)LiMn3 tetrahedra,  a cornercorner with one F(13)LiMn3 tetrahedra, corners with two equivalent F(2)Li4Mn trigonal bipyramids, and edges with two equivalent F(15)Li4Mn trigonal bipyramids. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(2) and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Li(8), one Mn(3), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(4), one Mn(1), and one Mn(2) atom. In the sixth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), and two equivalent Mn(3) atoms. In the seventh F site, F(7) is bonded to one Li(5), one Li(6), two equivalent Li(3), and one Mn(4) atom to form distorted FLi4Mn trigonal bipyramids that share  a cornercorner with one F(8)Li3Mn tetrahedra, corners with two equivalent F(7)Li4Mn trigonal bipyramids, edges with two equivalent O(2)LiMn3 tetrahedra,  an edgeedge with one O(1)LiMn4 trigonal bipyramid, and edges with two equivalent F(10)Li4Mn trigonal bipyramids. In the eighth F site, F(8) is bonded to one Li(6), two equivalent Li(4), and one Mn(7) atom to form FLi3Mn tetrahedra that share corners with two equivalent F(8)Li3Mn tetrahedra,  a cornercorner with one O(3)LiMn4 trigonal bipyramid,  a cornercorner with one F(7)Li4Mn trigonal bipyramid, edges with two equivalent F(10)Li4Mn trigonal bipyramids, and edges with two equivalent F(14)LiMn4 trigonal bipyramids. In the ninth F site, F(9) is bonded in a see-saw-like geometry to one Li(3), two equivalent Li(5), and one Mn(2) atom. In the tenth F site, F(10) is bonded to one Li(3), one Li(4), two equivalent Li(6), and one Mn(5) atom to form distorted FLi4Mn trigonal bipyramids that share  a cornercorner with one O(2)LiMn3 tetrahedra,  a cornercorner with one F(13)LiMn3 tetrahedra, corners with two equivalent F(10)Li4Mn trigonal bipyramids, edges with two equivalent F(8)Li3Mn tetrahedra,  an edgeedge with one F(14)LiMn4 trigonal bipyramid, and edges with two equivalent F(7)Li4Mn trigonal bipyramids. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Li(5), one Mn(7), and one Mn(8) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(5), and one Mn(6) atom. In the thirteenth F site, F(13) is bonded to one Li(7), one Mn(5), and two equivalent Mn(8) atoms to form distorted FLiMn3 tetrahedra that share corners with two equivalent F(13)LiMn3 tetrahedra,  a cornercorner with one F(10)Li4Mn trigonal bipyramid,  a cornercorner with one F(2)Li4Mn trigonal bipyramid,  a cornercorner with one F(14)LiMn4 trigonal bipyramid, corners with two equivalent O(3)LiMn4 trigonal bipyramids, and edges with two equivalent F(15)Li4Mn trigonal bipyramids. In the fourteenth F site, F(14) is bonded to one Li(4), one Mn(5), one Mn(6), and two equivalent Mn(7) atoms to form distorted FLiMn4 trigonal bipyramids that share  a cornercorner with one F(13)LiMn3 tetrahedra, corners with two equivalent F(14)LiMn4 trigonal bipyramids, edges with two equivalent F(8)Li3Mn tetrahedra,  an edgeedge with one F(10)Li4Mn trigonal bipyramid, and edges with two equivalent O(3)LiMn4 trigonal bipyramids. In the fifteenth F site, F(15) is bonded to one Li(2), one Li(8), two equivalent Li(7), and one Mn(8) atom to form distorted FLi4Mn trigonal bipyramids that share corners with two equivalent F(15)Li4Mn trigonal bipyramids, edges with two equivalent F(13)LiMn3 tetrahedra,  an edgeedge with one O(3)LiMn4 trigonal bipyramid, and edges with two equivalent F(2)Li4Mn trigonal bipyramids. In the sixteenth F site, F(16) is bonded in a see-saw-like geometry to one Li(7), two equivalent Li(8), and one Mn(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Mn2OF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.020
_cell_length_b   8.492
_cell_length_c   13.722
_cell_angle_alpha   98.392
_cell_angle_beta   90.044
_cell_angle_gamma   90.018
_symmetry_Int_Tables_number   1
_cell_volume   463.428
_cell_formula_units_Z   4
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  0.737  0.211  0.989  1.0
  Li  Li1  1  0.244  0.406  0.943  1.0
  Li  Li2  1  0.747  0.588  0.555  1.0
  Li  Li3  1  0.766  0.215  0.501  1.0
  Li  Li4  1  0.241  0.794  0.512  1.0
  Li  Li5  1  0.255  0.415  0.433  1.0
  Li  Li6  1  0.752  0.584  0.048  1.0
  Li  Li7  1  0.259  0.785  0.019  1.0
  Mn  Mn8  1  0.745  0.395  0.760  1.0
  Mn  Mn9  1  0.738  0.963  0.665  1.0
  Mn  Mn10  1  0.235  0.006  0.843  1.0
  Mn  Mn11  1  0.246  0.668  0.719  1.0
  Mn  Mn12  1  0.754  0.368  0.269  1.0
  Mn  Mn13  1  0.764  0.966  0.159  1.0
  Mn  Mn14  1  0.265  0.020  0.334  1.0
  Mn  Mn15  1  0.255  0.648  0.234  1.0
  O  O16  1  0.239  0.914  0.692  1.0
  O  O17  1  0.746  0.604  0.704  1.0
  O  O18  1  0.263  0.903  0.189  1.0
  O  O19  1  0.254  0.424  0.287  1.0
  F  F20  1  0.239  0.182  0.967  1.0
  F  F21  1  0.745  0.413  0.936  1.0
  F  F22  1  0.246  0.388  0.798  1.0
  F  F23  1  0.251  0.780  0.879  1.0
  F  F24  1  0.753  0.204  0.640  1.0
  F  F25  1  0.736  0.080  0.836  1.0
  F  F26  1  0.248  0.586  0.547  1.0
  F  F27  1  0.260  0.175  0.467  1.0
  F  F28  1  0.743  0.819  0.527  1.0
  F  F29  1  0.754  0.407  0.447  1.0
  F  F30  1  0.246  0.797  0.375  1.0
  F  F31  1  0.748  0.200  0.129  1.0
  F  F32  1  0.754  0.607  0.193  1.0
  F  F33  1  0.764  0.102  0.322  1.0
  F  F34  1  0.252  0.574  0.054  1.0
  F  F35  1  0.757  0.808  0.028  1.0
[/CIF]
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