The material structure described by LiF2Li2MnOF(MnO2)2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one lithium;fluoride;hydrofluoride molecule, two manganese;dihydrate molecules, and one Li2MnOF cluster. In the Li2MnOF cluster, there are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 1-coordinate geometry to one F(3) atom. In the second Li site, Li(3) is bonded in a 1-coordinate geometry to one O(1) atom. Mn(1) is bonded in a distorted linear geometry to one O(1) and one F(3) atom. O(1) is bonded in a distorted L-shaped geometry to one Li(3) and one Mn(1) atom. F(3) is bonded in an L-shaped geometry to one Li(1) and one Mn(1) atom. is represented by the CIF card [CIF]
data_Li3Mn3O5F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.818
_cell_length_b   5.906
_cell_length_c   5.988
_cell_angle_alpha   60.612
_cell_angle_beta   60.929
_cell_angle_gamma   62.894
_symmetry_Int_Tables_number   1
_cell_volume   150.191
_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  0.991  0.023  0.004  1.0
  Li  Li1  1  0.759  0.620  0.129  1.0
  Li  Li2  1  0.504  0.231  0.252  1.0
  Mn  Mn3  1  0.250  0.130  0.618  1.0
  Mn  Mn4  1  0.250  0.614  0.612  1.0
  Mn  Mn5  1  0.750  0.625  0.625  1.0
  O  O6  1  0.242  0.387  0.403  1.0
  O  O7  1  0.698  0.424  0.836  1.0
  O  O8  1  0.281  0.873  0.423  1.0
  O  O9  1  0.220  0.377  0.823  1.0
  O  O10  1  0.802  0.829  0.415  1.0
  F  F11  1  0.742  0.381  0.359  1.0
  F  F12  1  0.756  0.868  0.894  1.0
  F  F13  1  0.256  0.871  0.856  1.0
[/CIF]
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The material structure described by LiF2Li2MnOF(MnO2)2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one lithium;fluoride;hydrofluoride molecule, two manganese;dihydrate molecules, and one Li2MnOF cluster. In the Li2MnOF cluster, there are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 1-coordinate geometry to one F(3) atom. In the second Li site, Li(3) is bonded in a 1-coordinate geometry to one O(1) atom. Mn(1) is bonded in a distorted linear geometry to one O(1) and one F(3) atom. O(1) is bonded in a distorted L-shaped geometry to one Li(3) and one Mn(1) atom. F(3) is bonded in an L-shaped geometry to one Li(1) and one Mn(1) atom. is represented by the CIF card [CIF]
data_Li3Mn3O5F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.818
_cell_length_b   5.906
_cell_length_c   5.988
_cell_angle_alpha   60.612
_cell_angle_beta   60.929
_cell_angle_gamma   62.894
_symmetry_Int_Tables_number   1
_cell_volume   150.191
_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  0.991  0.023  0.004  1.0
  Li  Li1  1  0.759  0.620  0.129  1.0
  Li  Li2  1  0.504  0.231  0.252  1.0
  Mn  Mn3  1  0.250  0.130  0.618  1.0
  Mn  Mn4  1  0.250  0.614  0.612  1.0
  Mn  Mn5  1  0.750  0.625  0.625  1.0
  O  O6  1  0.242  0.387  0.403  1.0
  O  O7  1  0.698  0.424  0.836  1.0
  O  O8  1  0.281  0.873  0.423  1.0
  O  O9  1  0.220  0.377  0.823  1.0
  O  O10  1  0.802  0.829  0.415  1.0
  F  F11  1  0.742  0.381  0.359  1.0
  F  F12  1  0.756  0.868  0.894  1.0
  F  F13  1  0.256  0.871  0.856  1.0
[/CIF]
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