The material structure described by Li2MnO2F is Caswellsilverite-derived structured and crystallizes in the monoclinic Cc space group. There are four 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 corners with two equivalent Li(4)O4F2 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Mn(1)O4F2 octahedra, edges with three equivalent Li(3)O4F2 octahedra, and edges with three equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom. In the third Li site, Li(3) 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 corners with two equivalent Li(4)O4F2 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Mn(1)O4F2 octahedra, edges with two equivalent Mn(2)O4F2 octahedra, and edges with three equivalent Li(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. 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 corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(3)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Mn(2)O4F2 octahedra, and edges with three equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. There are two inequivalent Mn sites. In the first Mn site, Mn(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 MnO4F2 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with three equivalent Li(4)O4F2 octahedra, and edges with three equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. In the second Mn site, Mn(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 MnO4F2 octahedra that share corners with two equivalent Li(3)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with three equivalent Li(1)O4F2 octahedra, and edges with three equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share corners with two equivalent O(4)Li4Mn2 octahedra, corners with two equivalent F(1)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent F(1)Li4Mn2 octahedra, edges with three equivalent O(3)Li4Mn2 octahedra, and edges with three equivalent F(2)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one Li(4), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share corners with two equivalent O(4)Li4Mn2 octahedra, corners with two equivalent F(2)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent F(2)Li4Mn2 octahedra, edges with three equivalent O(1)Li4Mn2 octahedra, and edges with three equivalent F(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share corners with two equivalent O(1)Li4Mn2 octahedra, corners with two equivalent O(3)Li4Mn2 octahedra, corners with two equivalent F(2)Li4Mn2 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with two equivalent F(2)Li4Mn2 octahedra, and edges with three equivalent F(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. 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 Mn(1), and one Mn(2) atom to form FLi4Mn2 octahedra that share corners with two equivalent O(1)Li4Mn2 octahedra, corners with two equivalent F(2)Li4Mn2 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent F(2)Li4Mn2 octahedra, edges with three equivalent O(3)Li4Mn2 octahedra, and edges with three equivalent O(4)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 3-14°. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Mn(1), and one Mn(2) atom to form FLi4Mn2 octahedra that share corners with two equivalent O(3)Li4Mn2 octahedra, corners with two equivalent O(4)Li4Mn2 octahedra, corners with two equivalent F(1)Li4Mn2 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent F(1)Li4Mn2 octahedra, and edges with three equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.212
_cell_length_b   5.212
_cell_length_c   9.370
_cell_angle_alpha   79.503
_cell_angle_beta   100.497
_cell_angle_gamma   68.784
_symmetry_Int_Tables_number   1
_cell_volume   224.633
_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  0.109  0.648  0.728  1.0
  Li  Li1  1  0.352  0.891  0.228  1.0
  Li  Li2  1  0.070  0.214  0.610  1.0
  Li  Li3  1  0.208  0.047  0.911  1.0
  Li  Li4  1  0.786  0.930  0.110  1.0
  Li  Li5  1  0.953  0.792  0.411  1.0
  Li  Li6  1  0.629  0.128  0.744  1.0
  Li  Li7  1  0.872  0.371  0.244  1.0
  Mn  Mn8  1  0.707  0.542  0.915  1.0
  Mn  Mn9  1  0.543  0.704  0.590  1.0
  Mn  Mn10  1  0.458  0.293  0.415  1.0
  Mn  Mn11  1  0.296  0.457  0.090  1.0
  O  O12  1  0.384  0.847  0.758  1.0
  O  O13  1  0.741  0.952  0.572  1.0
  O  O14  1  0.329  0.468  0.573  1.0
  O  O15  1  0.153  0.616  0.258  1.0
  O  O16  1  0.871  0.399  0.758  1.0
  O  O17  1  0.048  0.259  0.072  1.0
  O  O18  1  0.532  0.671  0.073  1.0
  O  O19  1  0.601  0.129  0.258  1.0
  F  F20  1  0.471  0.259  0.922  1.0
  F  F21  1  0.960  0.813  0.919  1.0
  F  F22  1  0.741  0.529  0.422  1.0
  F  F23  1  0.187  0.040  0.419  1.0
[/CIF]
.
The material structure described by Li2MnO2F is Caswellsilverite-derived structured and crystallizes in the monoclinic Cc space group. There are four 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 corners with two equivalent Li(4)O4F2 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Mn(1)O4F2 octahedra, edges with three equivalent Li(3)O4F2 octahedra, and edges with three equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom. In the third Li site, Li(3) 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 corners with two equivalent Li(4)O4F2 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Mn(1)O4F2 octahedra, edges with two equivalent Mn(2)O4F2 octahedra, and edges with three equivalent Li(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. 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 corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(3)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Mn(2)O4F2 octahedra, and edges with three equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. There are two inequivalent Mn sites. In the first Mn site, Mn(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 MnO4F2 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with three equivalent Li(4)O4F2 octahedra, and edges with three equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. In the second Mn site, Mn(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 MnO4F2 octahedra that share corners with two equivalent Li(3)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with three equivalent Li(1)O4F2 octahedra, and edges with three equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share corners with two equivalent O(4)Li4Mn2 octahedra, corners with two equivalent F(1)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent F(1)Li4Mn2 octahedra, edges with three equivalent O(3)Li4Mn2 octahedra, and edges with three equivalent F(2)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one Li(4), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share corners with two equivalent O(4)Li4Mn2 octahedra, corners with two equivalent F(2)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent F(2)Li4Mn2 octahedra, edges with three equivalent O(1)Li4Mn2 octahedra, and edges with three equivalent F(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share corners with two equivalent O(1)Li4Mn2 octahedra, corners with two equivalent O(3)Li4Mn2 octahedra, corners with two equivalent F(2)Li4Mn2 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with two equivalent F(2)Li4Mn2 octahedra, and edges with three equivalent F(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. 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 Mn(1), and one Mn(2) atom to form FLi4Mn2 octahedra that share corners with two equivalent O(1)Li4Mn2 octahedra, corners with two equivalent F(2)Li4Mn2 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent F(2)Li4Mn2 octahedra, edges with three equivalent O(3)Li4Mn2 octahedra, and edges with three equivalent O(4)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 3-14°. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Mn(1), and one Mn(2) atom to form FLi4Mn2 octahedra that share corners with two equivalent O(3)Li4Mn2 octahedra, corners with two equivalent O(4)Li4Mn2 octahedra, corners with two equivalent F(1)Li4Mn2 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent F(1)Li4Mn2 octahedra, and edges with three equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.212
_cell_length_b   5.212
_cell_length_c   9.370
_cell_angle_alpha   79.503
_cell_angle_beta   100.497
_cell_angle_gamma   68.784
_symmetry_Int_Tables_number   1
_cell_volume   224.633
_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  0.109  0.648  0.728  1.0
  Li  Li1  1  0.352  0.891  0.228  1.0
  Li  Li2  1  0.070  0.214  0.610  1.0
  Li  Li3  1  0.208  0.047  0.911  1.0
  Li  Li4  1  0.786  0.930  0.110  1.0
  Li  Li5  1  0.953  0.792  0.411  1.0
  Li  Li6  1  0.629  0.128  0.744  1.0
  Li  Li7  1  0.872  0.371  0.244  1.0
  Mn  Mn8  1  0.707  0.542  0.915  1.0
  Mn  Mn9  1  0.543  0.704  0.590  1.0
  Mn  Mn10  1  0.458  0.293  0.415  1.0
  Mn  Mn11  1  0.296  0.457  0.090  1.0
  O  O12  1  0.384  0.847  0.758  1.0
  O  O13  1  0.741  0.952  0.572  1.0
  O  O14  1  0.329  0.468  0.573  1.0
  O  O15  1  0.153  0.616  0.258  1.0
  O  O16  1  0.871  0.399  0.758  1.0
  O  O17  1  0.048  0.259  0.072  1.0
  O  O18  1  0.532  0.671  0.073  1.0
  O  O19  1  0.601  0.129  0.258  1.0
  F  F20  1  0.471  0.259  0.922  1.0
  F  F21  1  0.960  0.813  0.919  1.0
  F  F22  1  0.741  0.529  0.422  1.0
  F  F23  1  0.187  0.040  0.419  1.0
[/CIF]
.