The crystal structure described by LiMnOF2 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form distorted LiO2F4 pentagonal pyramids that share corners with four equivalent Mn(1)O2F4 octahedra, corners with two equivalent Li(1)O2F4 pentagonal pyramids, edges with four equivalent Mn(1)O2F4 octahedra, and edges with two equivalent Li(1)O2F4 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 65-69°. Mn(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form MnO2F4 octahedra that share corners with six equivalent Mn(1)O2F4 octahedra, corners with four equivalent Li(1)O2F4 pentagonal pyramids, and edges with four equivalent Li(1)O2F4 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 41-46°. O(1) is bonded to two equivalent Li(1) and two equivalent Mn(1) atoms to form OLi2Mn2 tetrahedra that share corners with four equivalent O(1)Li2Mn2 tetrahedra, corners with eight equivalent F(1)Li2Mn2 trigonal pyramids, and edges with four equivalent F(1)Li2Mn2 trigonal pyramids. F(1) is bonded to two equivalent Li(1) and two equivalent Mn(1) atoms to form distorted FLi2Mn2 trigonal pyramids that share corners with four equivalent O(1)Li2Mn2 tetrahedra, corners with ten equivalent F(1)Li2Mn2 trigonal pyramids, edges with two equivalent O(1)Li2Mn2 tetrahedra, and  an edgeedge with one F(1)Li2Mn2 trigonal pyramid. is represented by the CIF card [CIF]
data_LiMnOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.390
_cell_length_b   7.093
_cell_length_c   5.551
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   212.214
_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  0.040  0.250  0.052  1.0
  Li  Li1  1  0.460  0.750  0.552  1.0
  Li  Li2  1  0.540  0.250  0.448  1.0
  Li  Li3  1  0.960  0.750  0.948  1.0
  Mn  Mn4  1  0.000  0.000  0.500  1.0
  Mn  Mn5  1  1.000  0.500  0.500  1.0
  Mn  Mn6  1  0.500  1.000  0.000  1.0
  Mn  Mn7  1  0.500  0.500  1.000  1.0
  O  O8  1  0.068  0.750  0.601  1.0
  O  O9  1  0.432  0.250  0.101  1.0
  O  O10  1  0.568  0.750  0.899  1.0
  O  O11  1  0.932  0.250  0.399  1.0
  F  F12  1  0.174  0.562  0.146  1.0
  F  F13  1  0.174  0.938  0.146  1.0
  F  F14  1  0.326  0.062  0.646  1.0
  F  F15  1  0.326  0.438  0.646  1.0
  F  F16  1  0.674  0.938  0.354  1.0
  F  F17  1  0.674  0.562  0.354  1.0
  F  F18  1  0.826  0.062  0.854  1.0
  F  F19  1  0.826  0.438  0.854  1.0
[/CIF]
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The crystal structure described by LiMnOF2 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form distorted LiO2F4 pentagonal pyramids that share corners with four equivalent Mn(1)O2F4 octahedra, corners with two equivalent Li(1)O2F4 pentagonal pyramids, edges with four equivalent Mn(1)O2F4 octahedra, and edges with two equivalent Li(1)O2F4 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 65-69°. Mn(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form MnO2F4 octahedra that share corners with six equivalent Mn(1)O2F4 octahedra, corners with four equivalent Li(1)O2F4 pentagonal pyramids, and edges with four equivalent Li(1)O2F4 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 41-46°. O(1) is bonded to two equivalent Li(1) and two equivalent Mn(1) atoms to form OLi2Mn2 tetrahedra that share corners with four equivalent O(1)Li2Mn2 tetrahedra, corners with eight equivalent F(1)Li2Mn2 trigonal pyramids, and edges with four equivalent F(1)Li2Mn2 trigonal pyramids. F(1) is bonded to two equivalent Li(1) and two equivalent Mn(1) atoms to form distorted FLi2Mn2 trigonal pyramids that share corners with four equivalent O(1)Li2Mn2 tetrahedra, corners with ten equivalent F(1)Li2Mn2 trigonal pyramids, edges with two equivalent O(1)Li2Mn2 tetrahedra, and  an edgeedge with one F(1)Li2Mn2 trigonal pyramid. is represented by the CIF card [CIF]
data_LiMnOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.390
_cell_length_b   7.093
_cell_length_c   5.551
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   212.214
_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  0.040  0.250  0.052  1.0
  Li  Li1  1  0.460  0.750  0.552  1.0
  Li  Li2  1  0.540  0.250  0.448  1.0
  Li  Li3  1  0.960  0.750  0.948  1.0
  Mn  Mn4  1  0.000  0.000  0.500  1.0
  Mn  Mn5  1  1.000  0.500  0.500  1.0
  Mn  Mn6  1  0.500  1.000  0.000  1.0
  Mn  Mn7  1  0.500  0.500  1.000  1.0
  O  O8  1  0.068  0.750  0.601  1.0
  O  O9  1  0.432  0.250  0.101  1.0
  O  O10  1  0.568  0.750  0.899  1.0
  O  O11  1  0.932  0.250  0.399  1.0
  F  F12  1  0.174  0.562  0.146  1.0
  F  F13  1  0.174  0.938  0.146  1.0
  F  F14  1  0.326  0.062  0.646  1.0
  F  F15  1  0.326  0.438  0.646  1.0
  F  F16  1  0.674  0.938  0.354  1.0
  F  F17  1  0.674  0.562  0.354  1.0
  F  F18  1  0.826  0.062  0.854  1.0
  F  F19  1  0.826  0.438  0.854  1.0
[/CIF]
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