The crystal structure described by Li4Mn(OF)2 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and two equivalent F(1) atoms to form distorted LiO2F2 trigonal pyramids that share corners with four equivalent Li(2)O2F2 tetrahedra, corners with four equivalent Mn(1)O2F2 tetrahedra, corners with two equivalent Li(1)O2F2 trigonal pyramids, edges with two equivalent Li(2)O2F2 tetrahedra, and  an edgeedge with one Li(1)O2F2 trigonal pyramid. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent F(1) atoms to form distorted LiO2F2 tetrahedra that share corners with two equivalent Li(2)O2F2 tetrahedra, corners with four equivalent Mn(1)O2F2 tetrahedra, corners with four equivalent Li(1)O2F2 trigonal pyramids,  an edgeedge with one Li(2)O2F2 tetrahedra, and edges with two equivalent Li(1)O2F2 trigonal pyramids. Mn(1) is bonded to two equivalent O(1) and two equivalent F(1) atoms to form MnO2F2 tetrahedra that share corners with eight equivalent Li(2)O2F2 tetrahedra and corners with eight equivalent Li(1)O2F2 trigonal pyramids. O(1) is bonded to two equivalent Li(1), two equivalent Li(2), and one Mn(1) atom to form corner-sharing OLi4Mn trigonal bipyramids. F(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Li4Mn(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.454
_cell_length_b   5.454
_cell_length_c   6.690
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   98.659
_symmetry_Int_Tables_number   1
_cell_volume   196.721
_cell_formula_units_Z   2
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
  F  F0  1  0.201  0.201  0.972  1.0
  F  F1  1  0.799  0.799  0.472  1.0
  F  F2  1  0.201  0.201  0.528  1.0
  F  F3  1  0.799  0.799  0.028  1.0
  Li  Li4  1  0.168  0.832  0.500  1.0
  Li  Li5  1  0.168  0.832  0.000  1.0
  Li  Li6  1  0.832  0.168  0.000  1.0
  Li  Li7  1  0.832  0.168  0.500  1.0
  Li  Li8  1  0.105  0.420  0.750  1.0
  Li  Li9  1  0.580  0.895  0.250  1.0
  Li  Li10  1  0.895  0.580  0.250  1.0
  Li  Li11  1  0.420  0.105  0.750  1.0
  Mn  Mn12  1  0.376  0.376  0.250  1.0
  Mn  Mn13  1  0.624  0.624  0.750  1.0
  O  O14  1  0.302  0.748  0.750  1.0
  O  O15  1  0.252  0.698  0.250  1.0
  O  O16  1  0.698  0.252  0.250  1.0
  O  O17  1  0.748  0.302  0.750  1.0
[/CIF]
.
The crystal structure described by Li4Mn(OF)2 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and two equivalent F(1) atoms to form distorted LiO2F2 trigonal pyramids that share corners with four equivalent Li(2)O2F2 tetrahedra, corners with four equivalent Mn(1)O2F2 tetrahedra, corners with two equivalent Li(1)O2F2 trigonal pyramids, edges with two equivalent Li(2)O2F2 tetrahedra, and  an edgeedge with one Li(1)O2F2 trigonal pyramid. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent F(1) atoms to form distorted LiO2F2 tetrahedra that share corners with two equivalent Li(2)O2F2 tetrahedra, corners with four equivalent Mn(1)O2F2 tetrahedra, corners with four equivalent Li(1)O2F2 trigonal pyramids,  an edgeedge with one Li(2)O2F2 tetrahedra, and edges with two equivalent Li(1)O2F2 trigonal pyramids. Mn(1) is bonded to two equivalent O(1) and two equivalent F(1) atoms to form MnO2F2 tetrahedra that share corners with eight equivalent Li(2)O2F2 tetrahedra and corners with eight equivalent Li(1)O2F2 trigonal pyramids. O(1) is bonded to two equivalent Li(1), two equivalent Li(2), and one Mn(1) atom to form corner-sharing OLi4Mn trigonal bipyramids. F(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Li4Mn(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.454
_cell_length_b   5.454
_cell_length_c   6.690
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   98.659
_symmetry_Int_Tables_number   1
_cell_volume   196.721
_cell_formula_units_Z   2
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
  F  F0  1  0.201  0.201  0.972  1.0
  F  F1  1  0.799  0.799  0.472  1.0
  F  F2  1  0.201  0.201  0.528  1.0
  F  F3  1  0.799  0.799  0.028  1.0
  Li  Li4  1  0.168  0.832  0.500  1.0
  Li  Li5  1  0.168  0.832  0.000  1.0
  Li  Li6  1  0.832  0.168  0.000  1.0
  Li  Li7  1  0.832  0.168  0.500  1.0
  Li  Li8  1  0.105  0.420  0.750  1.0
  Li  Li9  1  0.580  0.895  0.250  1.0
  Li  Li10  1  0.895  0.580  0.250  1.0
  Li  Li11  1  0.420  0.105  0.750  1.0
  Mn  Mn12  1  0.376  0.376  0.250  1.0
  Mn  Mn13  1  0.624  0.624  0.750  1.0
  O  O14  1  0.302  0.748  0.750  1.0
  O  O15  1  0.252  0.698  0.250  1.0
  O  O16  1  0.698  0.252  0.250  1.0
  O  O17  1  0.748  0.302  0.750  1.0
[/CIF]
.