The structure described by Li2MnO2F is Caswellsilverite-derived structured and crystallizes in the monoclinic C2 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(3)O2F4 octahedra,  a cornercorner with one Li(5)O2F4 octahedra,  a cornercorner with one Mn(2)O2F4 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(3)O2F4 octahedra,  an edgeedge with one Li(5)O2F4 octahedra,  an edgeedge with one Mn(2)O2F4 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with three equivalent Li(2)O4F2 octahedra, and edges with three equivalent Li(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(3)O2F4 octahedra,  a cornercorner with one Li(5)O2F4 octahedra,  a cornercorner with one Mn(2)O2F4 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(3)O2F4 octahedra,  an edgeedge with one Li(5)O2F4 octahedra,  an edgeedge with one Mn(2)O2F4 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with three equivalent Li(1)O4F2 octahedra, and edges with three equivalent Li(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the third Li site, Li(3) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms to form LiO2F4 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with three equivalent Li(5)O2F4 octahedra, and edges with three equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(3)O2F4 octahedra,  a cornercorner with one Li(5)O2F4 octahedra,  a cornercorner with one Mn(2)O2F4 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(3)O2F4 octahedra,  an edgeedge with one Li(5)O2F4 octahedra,  an edgeedge with one Mn(2)O2F4 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with three equivalent Li(1)O4F2 octahedra, and edges with three equivalent Li(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the fifth Li site, Li(5) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms to form LiO2F4 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with three equivalent Li(3)O2F4 octahedra, and edges with three equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with three equivalent Mn(3)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the second Mn site, Mn(2) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with three equivalent Li(3)O2F4 octahedra, and edges with three equivalent Li(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(4), one Mn(1), one Mn(3), and one Mn(4) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(4)Li3Mn3 octahedra,  a cornercorner with one O(2)Li5Mn octahedra,  a cornercorner with one F(1)Li5Mn octahedra,  a cornercorner with one F(2)Li5Mn octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(2)Li5Mn octahedra,  an edgeedge with one F(1)Li5Mn octahedra,  an edgeedge with one F(2)Li5Mn octahedra, edges with four equivalent O(3)Li3Mn3 octahedra, and edges with four equivalent O(4)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), and one Mn(2) atom to form OLi5Mn octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(4)Li3Mn3 octahedra,  a cornercorner with one O(2)Li5Mn octahedra,  a cornercorner with one F(1)Li5Mn octahedra,  a cornercorner with one F(2)Li5Mn octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(4)Li3Mn3 octahedra,  an edgeedge with one O(2)Li5Mn octahedra, edges with four equivalent F(1)Li5Mn octahedra, and edges with four equivalent F(2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(4), one Mn(1), one Mn(3), and one Mn(4) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(4)Li3Mn3 octahedra,  a cornercorner with one O(2)Li5Mn octahedra,  a cornercorner with one F(1)Li5Mn octahedra,  a cornercorner with one F(2)Li5Mn octahedra,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(2)Li5Mn octahedra,  an edgeedge with one F(1)Li5Mn octahedra,  an edgeedge with one F(2)Li5Mn octahedra, edges with four equivalent O(1)Li3Mn3 octahedra, and edges with four equivalent O(4)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), one Mn(1), one Mn(3), and one Mn(4) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(4)Li3Mn3 octahedra,  a cornercorner with one O(2)Li5Mn octahedra,  a cornercorner with one F(1)Li5Mn octahedra,  a cornercorner with one F(2)Li5Mn octahedra,  an edgeedge with one O(4)Li3Mn3 octahedra,  an edgeedge with one O(2)Li5Mn octahedra,  an edgeedge with one F(1)Li5Mn octahedra,  an edgeedge with one F(2)Li5Mn octahedra, edges with four equivalent O(1)Li3Mn3 octahedra, and edges with four equivalent O(3)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), and one Mn(2) atom to form FLi5Mn octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(4)Li3Mn3 octahedra,  a cornercorner with one O(2)Li5Mn octahedra,  a cornercorner with one F(1)Li5Mn octahedra,  a cornercorner with one F(2)Li5Mn octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(4)Li3Mn3 octahedra,  an edgeedge with one F(1)Li5Mn octahedra, edges with four equivalent O(2)Li5Mn octahedra, and edges with four equivalent F(2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), and one Mn(2) atom to form FLi5Mn octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(4)Li3Mn3 octahedra,  a cornercorner with one O(2)Li5Mn octahedra,  a cornercorner with one F(1)Li5Mn octahedra,  a cornercorner with one F(2)Li5Mn octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(4)Li3Mn3 octahedra,  an edgeedge with one F(2)Li5Mn octahedra, edges with four equivalent O(2)Li5Mn octahedra, and edges with four equivalent F(1)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 1-10°. is represented by the CIF card [CIF]
data_Li2MnO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.207
_cell_length_b   5.207
_cell_length_c   9.785
_cell_angle_alpha   85.323
_cell_angle_beta   85.323
_cell_angle_gamma   120.347
_symmetry_Int_Tables_number   1
_cell_volume   225.834
_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  0.836  0.660  0.745  1.0
  Li  Li1  1  0.001  0.494  0.250  1.0
  Li  Li2  1  0.909  0.091  0.500  1.0
  Li  Li3  1  0.340  0.164  0.255  1.0
  Li  Li4  1  0.506  0.999  0.750  1.0
  Li  Li5  1  0.671  0.857  0.255  1.0
  Li  Li6  1  0.251  0.749  0.500  1.0
  Li  Li7  1  0.143  0.329  0.745  1.0
  Mn  Mn8  1  0.749  0.251  0.000  1.0
  Mn  Mn9  1  0.605  0.395  0.500  1.0
  Mn  Mn10  1  0.413  0.587  0.000  1.0
  Mn  Mn11  1  0.077  0.923  0.000  1.0
  O  O12  1  0.716  0.585  0.110  1.0
  O  O13  1  0.855  0.369  0.619  1.0
  O  O14  1  0.760  0.919  0.880  1.0
  O  O15  1  0.415  0.284  0.890  1.0
  O  O16  1  0.631  0.145  0.381  1.0
  O  O17  1  0.369  0.851  0.118  1.0
  O  O18  1  0.149  0.631  0.882  1.0
  O  O19  1  0.081  0.240  0.120  1.0
  F  F20  1  0.972  0.811  0.372  1.0
  F  F21  1  0.539  0.677  0.616  1.0
  F  F22  1  0.189  0.028  0.628  1.0
  F  F23  1  0.323  0.461  0.384  1.0
[/CIF]
.
The structure described by Li2MnO2F is Caswellsilverite-derived structured and crystallizes in the monoclinic C2 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(3)O2F4 octahedra,  a cornercorner with one Li(5)O2F4 octahedra,  a cornercorner with one Mn(2)O2F4 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(3)O2F4 octahedra,  an edgeedge with one Li(5)O2F4 octahedra,  an edgeedge with one Mn(2)O2F4 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with three equivalent Li(2)O4F2 octahedra, and edges with three equivalent Li(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(3)O2F4 octahedra,  a cornercorner with one Li(5)O2F4 octahedra,  a cornercorner with one Mn(2)O2F4 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(3)O2F4 octahedra,  an edgeedge with one Li(5)O2F4 octahedra,  an edgeedge with one Mn(2)O2F4 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with three equivalent Li(1)O4F2 octahedra, and edges with three equivalent Li(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the third Li site, Li(3) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms to form LiO2F4 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with three equivalent Li(5)O2F4 octahedra, and edges with three equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(3)O2F4 octahedra,  a cornercorner with one Li(5)O2F4 octahedra,  a cornercorner with one Mn(2)O2F4 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(3)O2F4 octahedra,  an edgeedge with one Li(5)O2F4 octahedra,  an edgeedge with one Mn(2)O2F4 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with three equivalent Li(1)O4F2 octahedra, and edges with three equivalent Li(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the fifth Li site, Li(5) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms to form LiO2F4 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with three equivalent Li(3)O2F4 octahedra, and edges with three equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with three equivalent Mn(3)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the second Mn site, Mn(2) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with three equivalent Li(3)O2F4 octahedra, and edges with three equivalent Li(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(4), one Mn(1), one Mn(3), and one Mn(4) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(4)Li3Mn3 octahedra,  a cornercorner with one O(2)Li5Mn octahedra,  a cornercorner with one F(1)Li5Mn octahedra,  a cornercorner with one F(2)Li5Mn octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(2)Li5Mn octahedra,  an edgeedge with one F(1)Li5Mn octahedra,  an edgeedge with one F(2)Li5Mn octahedra, edges with four equivalent O(3)Li3Mn3 octahedra, and edges with four equivalent O(4)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), and one Mn(2) atom to form OLi5Mn octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(4)Li3Mn3 octahedra,  a cornercorner with one O(2)Li5Mn octahedra,  a cornercorner with one F(1)Li5Mn octahedra,  a cornercorner with one F(2)Li5Mn octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(4)Li3Mn3 octahedra,  an edgeedge with one O(2)Li5Mn octahedra, edges with four equivalent F(1)Li5Mn octahedra, and edges with four equivalent F(2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(4), one Mn(1), one Mn(3), and one Mn(4) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(4)Li3Mn3 octahedra,  a cornercorner with one O(2)Li5Mn octahedra,  a cornercorner with one F(1)Li5Mn octahedra,  a cornercorner with one F(2)Li5Mn octahedra,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(2)Li5Mn octahedra,  an edgeedge with one F(1)Li5Mn octahedra,  an edgeedge with one F(2)Li5Mn octahedra, edges with four equivalent O(1)Li3Mn3 octahedra, and edges with four equivalent O(4)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), one Mn(1), one Mn(3), and one Mn(4) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(4)Li3Mn3 octahedra,  a cornercorner with one O(2)Li5Mn octahedra,  a cornercorner with one F(1)Li5Mn octahedra,  a cornercorner with one F(2)Li5Mn octahedra,  an edgeedge with one O(4)Li3Mn3 octahedra,  an edgeedge with one O(2)Li5Mn octahedra,  an edgeedge with one F(1)Li5Mn octahedra,  an edgeedge with one F(2)Li5Mn octahedra, edges with four equivalent O(1)Li3Mn3 octahedra, and edges with four equivalent O(3)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), and one Mn(2) atom to form FLi5Mn octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(4)Li3Mn3 octahedra,  a cornercorner with one O(2)Li5Mn octahedra,  a cornercorner with one F(1)Li5Mn octahedra,  a cornercorner with one F(2)Li5Mn octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(4)Li3Mn3 octahedra,  an edgeedge with one F(1)Li5Mn octahedra, edges with four equivalent O(2)Li5Mn octahedra, and edges with four equivalent F(2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), and one Mn(2) atom to form FLi5Mn octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(4)Li3Mn3 octahedra,  a cornercorner with one O(2)Li5Mn octahedra,  a cornercorner with one F(1)Li5Mn octahedra,  a cornercorner with one F(2)Li5Mn octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(4)Li3Mn3 octahedra,  an edgeedge with one F(2)Li5Mn octahedra, edges with four equivalent O(2)Li5Mn octahedra, and edges with four equivalent F(1)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 1-10°. is represented by the CIF card [CIF]
data_Li2MnO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.207
_cell_length_b   5.207
_cell_length_c   9.785
_cell_angle_alpha   85.323
_cell_angle_beta   85.323
_cell_angle_gamma   120.347
_symmetry_Int_Tables_number   1
_cell_volume   225.834
_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  0.836  0.660  0.745  1.0
  Li  Li1  1  0.001  0.494  0.250  1.0
  Li  Li2  1  0.909  0.091  0.500  1.0
  Li  Li3  1  0.340  0.164  0.255  1.0
  Li  Li4  1  0.506  0.999  0.750  1.0
  Li  Li5  1  0.671  0.857  0.255  1.0
  Li  Li6  1  0.251  0.749  0.500  1.0
  Li  Li7  1  0.143  0.329  0.745  1.0
  Mn  Mn8  1  0.749  0.251  0.000  1.0
  Mn  Mn9  1  0.605  0.395  0.500  1.0
  Mn  Mn10  1  0.413  0.587  0.000  1.0
  Mn  Mn11  1  0.077  0.923  0.000  1.0
  O  O12  1  0.716  0.585  0.110  1.0
  O  O13  1  0.855  0.369  0.619  1.0
  O  O14  1  0.760  0.919  0.880  1.0
  O  O15  1  0.415  0.284  0.890  1.0
  O  O16  1  0.631  0.145  0.381  1.0
  O  O17  1  0.369  0.851  0.118  1.0
  O  O18  1  0.149  0.631  0.882  1.0
  O  O19  1  0.081  0.240  0.120  1.0
  F  F20  1  0.972  0.811  0.372  1.0
  F  F21  1  0.539  0.677  0.616  1.0
  F  F22  1  0.189  0.028  0.628  1.0
  F  F23  1  0.323  0.461  0.384  1.0
[/CIF]
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