The crystal structure described by LiMnPO4F crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), one O(8), and one F(2) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Li(2)O4F trigonal bipyramids, and  an edgeedge with one Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the second Li site, Li(2) is bonded to one O(2), one O(6), one O(7), one O(8), and one F(1) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Li(1)O4F trigonal bipyramids, and  an edgeedge with one Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), one O(6), one O(7), one F(1), and one F(2) atom to form distorted MnO4F2 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid,  a cornercorner with one Li(2)O4F trigonal bipyramid, edges with two equivalent Mn(2)O4F2 octahedra, and  an edgeedge with one Li(2)O4F trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(5), one F(1), and one F(2) atom to form distorted MnO4F2 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid,  a cornercorner with one Li(2)O4F trigonal bipyramid, edges with two equivalent Mn(1)O4F2 octahedra, and  an edgeedge with one Li(1)O4F trigonal bipyramid. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent Li(1)O4F trigonal bipyramids, and corners with two equivalent Li(2)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-56°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent Li(1)O4F trigonal bipyramids, and corners with two equivalent Li(2)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-61°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one P(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one Mn(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnPO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.317
_cell_length_b   7.317
_cell_length_c   9.980
_cell_angle_alpha   62.605
_cell_angle_beta   62.605
_cell_angle_gamma   50.268
_symmetry_Int_Tables_number   1
_cell_volume   353.922
_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  0.964  0.460  0.354  1.0
  Li  Li1  1  0.183  0.420  0.016  1.0
  Li  Li2  1  0.460  0.964  0.854  1.0
  Li  Li3  1  0.420  0.183  0.516  1.0
  Mn  Mn4  1  0.097  0.891  0.733  1.0
  Mn  Mn5  1  0.368  0.812  0.375  1.0
  Mn  Mn6  1  0.891  0.097  0.233  1.0
  Mn  Mn7  1  0.812  0.368  0.875  1.0
  P  P8  1  0.694  0.953  0.046  1.0
  P  P9  1  0.563  0.378  0.659  1.0
  P  P10  1  0.378  0.563  0.159  1.0
  P  P11  1  0.953  0.694  0.546  1.0
  O  O12  1  0.762  0.116  0.051  1.0
  O  O13  1  0.215  0.498  0.167  1.0
  O  O14  1  0.664  0.796  0.216  1.0
  O  O15  1  0.805  0.230  0.715  1.0
  O  O16  1  0.618  0.524  0.488  1.0
  O  O17  1  0.374  0.558  0.770  1.0
  O  O18  1  0.922  0.779  0.937  1.0
  O  O19  1  0.468  0.099  0.988  1.0
  O  O20  1  0.116  0.762  0.551  1.0
  O  O21  1  0.498  0.215  0.667  1.0
  O  O22  1  0.230  0.805  0.215  1.0
  O  O23  1  0.524  0.618  0.988  1.0
  O  O24  1  0.558  0.374  0.270  1.0
  O  O25  1  0.779  0.922  0.437  1.0
  O  O26  1  0.796  0.664  0.716  1.0
  O  O27  1  0.099  0.468  0.488  1.0
  F  F28  1  0.296  0.983  0.542  1.0
  F  F29  1  0.090  0.150  0.312  1.0
  F  F30  1  0.983  0.296  0.042  1.0
  F  F31  1  0.150  0.090  0.812  1.0
[/CIF]
.
The crystal structure described by LiMnPO4F crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), one O(8), and one F(2) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Li(2)O4F trigonal bipyramids, and  an edgeedge with one Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the second Li site, Li(2) is bonded to one O(2), one O(6), one O(7), one O(8), and one F(1) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Li(1)O4F trigonal bipyramids, and  an edgeedge with one Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), one O(6), one O(7), one F(1), and one F(2) atom to form distorted MnO4F2 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid,  a cornercorner with one Li(2)O4F trigonal bipyramid, edges with two equivalent Mn(2)O4F2 octahedra, and  an edgeedge with one Li(2)O4F trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(5), one F(1), and one F(2) atom to form distorted MnO4F2 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid,  a cornercorner with one Li(2)O4F trigonal bipyramid, edges with two equivalent Mn(1)O4F2 octahedra, and  an edgeedge with one Li(1)O4F trigonal bipyramid. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent Li(1)O4F trigonal bipyramids, and corners with two equivalent Li(2)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-56°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent Li(1)O4F trigonal bipyramids, and corners with two equivalent Li(2)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-61°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one P(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one Mn(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnPO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.317
_cell_length_b   7.317
_cell_length_c   9.980
_cell_angle_alpha   62.605
_cell_angle_beta   62.605
_cell_angle_gamma   50.268
_symmetry_Int_Tables_number   1
_cell_volume   353.922
_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  0.964  0.460  0.354  1.0
  Li  Li1  1  0.183  0.420  0.016  1.0
  Li  Li2  1  0.460  0.964  0.854  1.0
  Li  Li3  1  0.420  0.183  0.516  1.0
  Mn  Mn4  1  0.097  0.891  0.733  1.0
  Mn  Mn5  1  0.368  0.812  0.375  1.0
  Mn  Mn6  1  0.891  0.097  0.233  1.0
  Mn  Mn7  1  0.812  0.368  0.875  1.0
  P  P8  1  0.694  0.953  0.046  1.0
  P  P9  1  0.563  0.378  0.659  1.0
  P  P10  1  0.378  0.563  0.159  1.0
  P  P11  1  0.953  0.694  0.546  1.0
  O  O12  1  0.762  0.116  0.051  1.0
  O  O13  1  0.215  0.498  0.167  1.0
  O  O14  1  0.664  0.796  0.216  1.0
  O  O15  1  0.805  0.230  0.715  1.0
  O  O16  1  0.618  0.524  0.488  1.0
  O  O17  1  0.374  0.558  0.770  1.0
  O  O18  1  0.922  0.779  0.937  1.0
  O  O19  1  0.468  0.099  0.988  1.0
  O  O20  1  0.116  0.762  0.551  1.0
  O  O21  1  0.498  0.215  0.667  1.0
  O  O22  1  0.230  0.805  0.215  1.0
  O  O23  1  0.524  0.618  0.988  1.0
  O  O24  1  0.558  0.374  0.270  1.0
  O  O25  1  0.779  0.922  0.437  1.0
  O  O26  1  0.796  0.664  0.716  1.0
  O  O27  1  0.099  0.468  0.488  1.0
  F  F28  1  0.296  0.983  0.542  1.0
  F  F29  1  0.090  0.150  0.312  1.0
  F  F30  1  0.983  0.296  0.042  1.0
  F  F31  1  0.150  0.090  0.812  1.0
[/CIF]
.