The structure described by Li2MnSO4F3 crystallizes in the orthorhombic Pbcn space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one F(1), and one F(2) atom. Mn(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra and corners with two equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 68°. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with two equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles are 57°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Mn(1), and one S(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Li(1) and one S(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded to two equivalent Li(1) and two equivalent Mn(1) atoms to form corner-sharing FLi2Mn2 tetrahedra. is represented by the CIF card [CIF]
data_Li2MnSO4F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.294
_cell_length_b   7.480
_cell_length_c   9.549
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   521.020
_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  0.774  0.158  0.301  1.0
  Li  Li1  1  0.774  0.658  0.199  1.0
  Li  Li2  1  0.726  0.158  0.699  1.0
  Li  Li3  1  0.726  0.658  0.801  1.0
  Li  Li4  1  0.274  0.342  0.199  1.0
  Li  Li5  1  0.274  0.842  0.301  1.0
  Li  Li6  1  0.226  0.342  0.801  1.0
  Li  Li7  1  0.226  0.842  0.699  1.0
  Mn  Mn8  1  0.000  0.500  0.500  1.0
  Mn  Mn9  1  0.000  0.000  0.000  1.0
  Mn  Mn10  1  0.500  0.500  0.500  1.0
  Mn  Mn11  1  0.500  0.000  0.000  1.0
  S  S12  1  0.750  0.333  0.000  1.0
  S  S13  1  0.750  0.833  0.500  1.0
  S  S14  1  0.250  0.167  0.500  1.0
  S  S15  1  0.250  0.667  0.000  1.0
  O  O16  1  0.876  0.211  0.084  1.0
  O  O17  1  0.876  0.711  0.416  1.0
  O  O18  1  0.846  0.442  0.898  1.0
  O  O19  1  0.846  0.942  0.602  1.0
  O  O20  1  0.654  0.442  0.102  1.0
  O  O21  1  0.654  0.942  0.398  1.0
  O  O22  1  0.624  0.211  0.916  1.0
  O  O23  1  0.624  0.711  0.584  1.0
  O  O24  1  0.376  0.289  0.416  1.0
  O  O25  1  0.376  0.789  0.084  1.0
  O  O26  1  0.346  0.058  0.602  1.0
  O  O27  1  0.346  0.558  0.898  1.0
  O  O28  1  0.154  0.058  0.398  1.0
  O  O29  1  0.154  0.558  0.102  1.0
  O  O30  1  0.124  0.289  0.584  1.0
  O  O31  1  0.124  0.789  0.916  1.0
  F  F32  1  0.975  0.092  0.821  1.0
  F  F33  1  0.975  0.592  0.679  1.0
  F  F34  1  0.750  0.336  0.500  1.0
  F  F35  1  0.750  0.836  0.000  1.0
  F  F36  1  0.525  0.092  0.179  1.0
  F  F37  1  0.525  0.592  0.321  1.0
  F  F38  1  0.475  0.408  0.679  1.0
  F  F39  1  0.475  0.908  0.821  1.0
  F  F40  1  0.250  0.164  0.000  1.0
  F  F41  1  0.250  0.664  0.500  1.0
  F  F42  1  0.025  0.408  0.321  1.0
  F  F43  1  0.025  0.908  0.179  1.0
[/CIF]
.
The structure described by Li2MnSO4F3 crystallizes in the orthorhombic Pbcn space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one F(1), and one F(2) atom. Mn(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra and corners with two equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 68°. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with two equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles are 57°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Mn(1), and one S(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Li(1) and one S(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded to two equivalent Li(1) and two equivalent Mn(1) atoms to form corner-sharing FLi2Mn2 tetrahedra. is represented by the CIF card [CIF]
data_Li2MnSO4F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.294
_cell_length_b   7.480
_cell_length_c   9.549
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   521.020
_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  0.774  0.158  0.301  1.0
  Li  Li1  1  0.774  0.658  0.199  1.0
  Li  Li2  1  0.726  0.158  0.699  1.0
  Li  Li3  1  0.726  0.658  0.801  1.0
  Li  Li4  1  0.274  0.342  0.199  1.0
  Li  Li5  1  0.274  0.842  0.301  1.0
  Li  Li6  1  0.226  0.342  0.801  1.0
  Li  Li7  1  0.226  0.842  0.699  1.0
  Mn  Mn8  1  0.000  0.500  0.500  1.0
  Mn  Mn9  1  0.000  0.000  0.000  1.0
  Mn  Mn10  1  0.500  0.500  0.500  1.0
  Mn  Mn11  1  0.500  0.000  0.000  1.0
  S  S12  1  0.750  0.333  0.000  1.0
  S  S13  1  0.750  0.833  0.500  1.0
  S  S14  1  0.250  0.167  0.500  1.0
  S  S15  1  0.250  0.667  0.000  1.0
  O  O16  1  0.876  0.211  0.084  1.0
  O  O17  1  0.876  0.711  0.416  1.0
  O  O18  1  0.846  0.442  0.898  1.0
  O  O19  1  0.846  0.942  0.602  1.0
  O  O20  1  0.654  0.442  0.102  1.0
  O  O21  1  0.654  0.942  0.398  1.0
  O  O22  1  0.624  0.211  0.916  1.0
  O  O23  1  0.624  0.711  0.584  1.0
  O  O24  1  0.376  0.289  0.416  1.0
  O  O25  1  0.376  0.789  0.084  1.0
  O  O26  1  0.346  0.058  0.602  1.0
  O  O27  1  0.346  0.558  0.898  1.0
  O  O28  1  0.154  0.058  0.398  1.0
  O  O29  1  0.154  0.558  0.102  1.0
  O  O30  1  0.124  0.289  0.584  1.0
  O  O31  1  0.124  0.789  0.916  1.0
  F  F32  1  0.975  0.092  0.821  1.0
  F  F33  1  0.975  0.592  0.679  1.0
  F  F34  1  0.750  0.336  0.500  1.0
  F  F35  1  0.750  0.836  0.000  1.0
  F  F36  1  0.525  0.092  0.179  1.0
  F  F37  1  0.525  0.592  0.321  1.0
  F  F38  1  0.475  0.408  0.679  1.0
  F  F39  1  0.475  0.908  0.821  1.0
  F  F40  1  0.250  0.164  0.000  1.0
  F  F41  1  0.250  0.664  0.500  1.0
  F  F42  1  0.025  0.408  0.321  1.0
  F  F43  1  0.025  0.908  0.179  1.0
[/CIF]
.