The crystal structure described by Li2MnPO4F crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(15), one O(5), one O(6), one O(8), and one F(3) atom. In the second Li site, Li(2) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(15), one O(3), and one F(1) atom. In the third Li site, Li(3) is bonded to one O(10), one O(4), one O(5), one O(9), and one F(1) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Mn(2)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-61°. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(15), one O(16), one O(4), one O(5), and one F(3) atom. In the fifth Li site, Li(5) is bonded to one O(1), one O(12), one O(13), one O(2), and one F(2) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Mn(2)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Li(6)O4F2 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Li(8)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-52°. In the sixth Li site, Li(6) is bonded to one O(11), one O(14), one O(2), one O(7), one F(2), and one F(4) atom to form distorted LiO4F2 octahedra that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(4)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Li(5)O4F trigonal bipyramid,  an edgeedge with one Li(8)O4F trigonal bipyramid,  a faceface with one Mn(2)O4F2 octahedra, and  a faceface with one Mn(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-44°. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(10), one O(6), one O(8), and one F(3) atom. In the eighth Li site, Li(8) is bonded to one O(12), one O(13), one O(7), one O(8), and one F(4) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Mn(2)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Li(6)O4F2 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one Li(5)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-50°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(12), one O(5), one O(8), one O(9), one F(2), and one F(3) atom to form MnO4F2 octahedra that share  a cornercorner with one Li(6)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Li(3)O4F trigonal bipyramid,  an edgeedge with one Li(5)O4F trigonal bipyramid, and  an edgeedge with one Li(8)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-58°. In the second Mn site, Mn(2) is bonded to one O(10), one O(14), one O(3), one O(7), one F(2), and one F(3) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(3)O4F trigonal bipyramid,  a cornercorner with one Li(5)O4F trigonal bipyramid,  a cornercorner with one Li(8)O4F trigonal bipyramid, and  a faceface with one Li(6)O4F2 octahedra. The corner-sharing octahedral tilt angles are 58°. In the third Mn site, Mn(3) is bonded to one O(11), one O(15), one O(2), one O(6), one F(1), and one F(4) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(4)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(3)O4F trigonal bipyramid,  a cornercorner with one Li(5)O4F trigonal bipyramid,  a cornercorner with one Li(8)O4F trigonal bipyramid, and  a faceface with one Li(6)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(13), one O(16), one O(4), one F(1), and one F(4) atom to form MnO4F2 octahedra that share  a cornercorner with one Li(6)O4F2 octahedra, corners with two equivalent Mn(3)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Li(3)O4F trigonal bipyramid,  an edgeedge with one Li(5)O4F trigonal bipyramid, and  an edgeedge with one Li(8)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-59°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(6)O4F2 octahedra,  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra,  a cornercorner with one Mn(4)O4F2 octahedra,  a cornercorner with one Li(3)O4F trigonal bipyramid, and  an edgeedge with one Li(5)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 22-56°. In the second P site, P(2) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(6)O4F2 octahedra,  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra,  a cornercorner with one Mn(4)O4F2 octahedra,  a cornercorner with one Li(3)O4F trigonal bipyramid, and  an edgeedge with one Li(8)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 24-54°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(13), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(6)O4F2 octahedra,  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra,  a cornercorner with one Mn(4)O4F2 octahedra,  a cornercorner with one Li(5)O4F trigonal bipyramid,  a cornercorner with one Li(8)O4F trigonal bipyramid, and  an edgeedge with one Li(3)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 38-59°. In the fourth P site, P(4) is bonded to one O(12), one O(14), one O(15), and one O(16) atom to form PO4 tetrahedra that share  a cornercorner with one Li(6)O4F2 octahedra,  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra,  a cornercorner with one Mn(4)O4F2 octahedra,  a cornercorner with one Li(5)O4F trigonal bipyramid, and  a cornercorner with one Li(8)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-58°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(5), one Mn(4), and one P(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one Li(6), one Mn(3), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(4), one Mn(4), and one P(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(4), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(7), one Mn(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(6), one Li(8), one Mn(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(1), one Li(7), one Li(8), one Mn(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(3), one Mn(1), and one P(3) atom. In the tenth O site, O(10) is bonded to one Li(3), one Li(7), one Mn(2), and one P(3) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one F(1)Li2Mn2 trigonal pyramid. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(6), one Mn(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one Li(8), one Mn(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(5), one Li(8), one Mn(4), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(6), one Mn(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(4), one Mn(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Li(4), one Mn(4), and one P(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), one Li(3), one Mn(3), and one Mn(4) atom to form distorted FLi2Mn2 trigonal pyramids that share  a cornercorner with one O(10)Li2MnP trigonal pyramid. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(5), one Li(6), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(4), one Li(7), one Mn(1), and one Mn(2) atom. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Li(6), one Li(8), one Mn(3), and one Mn(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnPO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.403
_cell_length_b   7.681
_cell_length_c   7.993
_cell_angle_alpha   89.765
_cell_angle_beta   91.677
_cell_angle_gamma   117.292
_symmetry_Int_Tables_number   1
_cell_volume   403.706
_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  0.719  0.166  0.848  1.0
  Li  Li1  1  0.676  0.584  0.942  1.0
  Li  Li2  1  0.064  0.838  0.670  1.0
  Li  Li3  1  0.388  0.175  0.820  1.0
  Li  Li4  1  0.584  0.856  0.175  1.0
  Li  Li5  1  0.250  0.496  0.254  1.0
  Li  Li6  1  0.826  0.405  0.553  1.0
  Li  Li7  1  0.915  0.139  0.325  1.0
  Mn  Mn8  1  0.482  0.984  0.493  1.0
  Mn  Mn9  1  0.507  0.507  0.508  1.0
  Mn  Mn10  1  0.019  0.517  0.997  1.0
  Mn  Mn11  1  0.016  0.008  0.010  1.0
  P  P12  1  0.476  0.768  0.856  1.0
  P  P13  1  0.028  0.231  0.643  1.0
  P  P14  1  0.982  0.760  0.349  1.0
  P  P15  1  0.519  0.237  0.151  1.0
  O  O16  1  0.685  0.921  0.939  1.0
  O  O17  1  0.342  0.666  0.008  1.0
  O  O18  1  0.513  0.615  0.757  1.0
  O  O19  1  0.115  0.119  0.755  1.0
  O  O20  1  0.389  0.881  0.745  1.0
  O  O21  1  0.977  0.369  0.756  1.0
  O  O22  1  0.170  0.347  0.501  1.0
  O  O23  1  0.819  0.089  0.558  1.0
  O  O24  1  0.177  0.916  0.439  1.0
  O  O25  1  0.837  0.648  0.495  1.0
  O  O26  1  0.023  0.614  0.245  1.0
  O  O27  1  0.617  0.131  0.262  1.0
  O  O28  1  0.881  0.863  0.238  1.0
  O  O29  1  0.486  0.391  0.249  1.0
  O  O30  1  0.666  0.338  0.999  1.0
  O  O31  1  0.322  0.084  0.059  1.0
  F  F32  1  0.947  0.729  0.881  1.0
  F  F33  1  0.458  0.725  0.372  1.0
  F  F34  1  0.556  0.269  0.628  1.0
  F  F35  1  0.039  0.272  0.126  1.0
[/CIF]
.
The crystal structure described by Li2MnPO4F crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(15), one O(5), one O(6), one O(8), and one F(3) atom. In the second Li site, Li(2) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(15), one O(3), and one F(1) atom. In the third Li site, Li(3) is bonded to one O(10), one O(4), one O(5), one O(9), and one F(1) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Mn(2)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-61°. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(15), one O(16), one O(4), one O(5), and one F(3) atom. In the fifth Li site, Li(5) is bonded to one O(1), one O(12), one O(13), one O(2), and one F(2) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Mn(2)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Li(6)O4F2 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Li(8)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-52°. In the sixth Li site, Li(6) is bonded to one O(11), one O(14), one O(2), one O(7), one F(2), and one F(4) atom to form distorted LiO4F2 octahedra that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(4)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Li(5)O4F trigonal bipyramid,  an edgeedge with one Li(8)O4F trigonal bipyramid,  a faceface with one Mn(2)O4F2 octahedra, and  a faceface with one Mn(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-44°. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(10), one O(6), one O(8), and one F(3) atom. In the eighth Li site, Li(8) is bonded to one O(12), one O(13), one O(7), one O(8), and one F(4) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Mn(2)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Li(6)O4F2 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one Li(5)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-50°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(12), one O(5), one O(8), one O(9), one F(2), and one F(3) atom to form MnO4F2 octahedra that share  a cornercorner with one Li(6)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Li(3)O4F trigonal bipyramid,  an edgeedge with one Li(5)O4F trigonal bipyramid, and  an edgeedge with one Li(8)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-58°. In the second Mn site, Mn(2) is bonded to one O(10), one O(14), one O(3), one O(7), one F(2), and one F(3) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(3)O4F trigonal bipyramid,  a cornercorner with one Li(5)O4F trigonal bipyramid,  a cornercorner with one Li(8)O4F trigonal bipyramid, and  a faceface with one Li(6)O4F2 octahedra. The corner-sharing octahedral tilt angles are 58°. In the third Mn site, Mn(3) is bonded to one O(11), one O(15), one O(2), one O(6), one F(1), and one F(4) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(4)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(3)O4F trigonal bipyramid,  a cornercorner with one Li(5)O4F trigonal bipyramid,  a cornercorner with one Li(8)O4F trigonal bipyramid, and  a faceface with one Li(6)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(13), one O(16), one O(4), one F(1), and one F(4) atom to form MnO4F2 octahedra that share  a cornercorner with one Li(6)O4F2 octahedra, corners with two equivalent Mn(3)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Li(3)O4F trigonal bipyramid,  an edgeedge with one Li(5)O4F trigonal bipyramid, and  an edgeedge with one Li(8)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-59°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(6)O4F2 octahedra,  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra,  a cornercorner with one Mn(4)O4F2 octahedra,  a cornercorner with one Li(3)O4F trigonal bipyramid, and  an edgeedge with one Li(5)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 22-56°. In the second P site, P(2) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(6)O4F2 octahedra,  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra,  a cornercorner with one Mn(4)O4F2 octahedra,  a cornercorner with one Li(3)O4F trigonal bipyramid, and  an edgeedge with one Li(8)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 24-54°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(13), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(6)O4F2 octahedra,  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra,  a cornercorner with one Mn(4)O4F2 octahedra,  a cornercorner with one Li(5)O4F trigonal bipyramid,  a cornercorner with one Li(8)O4F trigonal bipyramid, and  an edgeedge with one Li(3)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 38-59°. In the fourth P site, P(4) is bonded to one O(12), one O(14), one O(15), and one O(16) atom to form PO4 tetrahedra that share  a cornercorner with one Li(6)O4F2 octahedra,  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra,  a cornercorner with one Mn(4)O4F2 octahedra,  a cornercorner with one Li(5)O4F trigonal bipyramid, and  a cornercorner with one Li(8)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-58°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(5), one Mn(4), and one P(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one Li(6), one Mn(3), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(4), one Mn(4), and one P(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(4), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(7), one Mn(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(6), one Li(8), one Mn(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(1), one Li(7), one Li(8), one Mn(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(3), one Mn(1), and one P(3) atom. In the tenth O site, O(10) is bonded to one Li(3), one Li(7), one Mn(2), and one P(3) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one F(1)Li2Mn2 trigonal pyramid. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(6), one Mn(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one Li(8), one Mn(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(5), one Li(8), one Mn(4), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(6), one Mn(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(4), one Mn(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Li(4), one Mn(4), and one P(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), one Li(3), one Mn(3), and one Mn(4) atom to form distorted FLi2Mn2 trigonal pyramids that share  a cornercorner with one O(10)Li2MnP trigonal pyramid. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(5), one Li(6), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(4), one Li(7), one Mn(1), and one Mn(2) atom. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Li(6), one Li(8), one Mn(3), and one Mn(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnPO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.403
_cell_length_b   7.681
_cell_length_c   7.993
_cell_angle_alpha   89.765
_cell_angle_beta   91.677
_cell_angle_gamma   117.292
_symmetry_Int_Tables_number   1
_cell_volume   403.706
_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  0.719  0.166  0.848  1.0
  Li  Li1  1  0.676  0.584  0.942  1.0
  Li  Li2  1  0.064  0.838  0.670  1.0
  Li  Li3  1  0.388  0.175  0.820  1.0
  Li  Li4  1  0.584  0.856  0.175  1.0
  Li  Li5  1  0.250  0.496  0.254  1.0
  Li  Li6  1  0.826  0.405  0.553  1.0
  Li  Li7  1  0.915  0.139  0.325  1.0
  Mn  Mn8  1  0.482  0.984  0.493  1.0
  Mn  Mn9  1  0.507  0.507  0.508  1.0
  Mn  Mn10  1  0.019  0.517  0.997  1.0
  Mn  Mn11  1  0.016  0.008  0.010  1.0
  P  P12  1  0.476  0.768  0.856  1.0
  P  P13  1  0.028  0.231  0.643  1.0
  P  P14  1  0.982  0.760  0.349  1.0
  P  P15  1  0.519  0.237  0.151  1.0
  O  O16  1  0.685  0.921  0.939  1.0
  O  O17  1  0.342  0.666  0.008  1.0
  O  O18  1  0.513  0.615  0.757  1.0
  O  O19  1  0.115  0.119  0.755  1.0
  O  O20  1  0.389  0.881  0.745  1.0
  O  O21  1  0.977  0.369  0.756  1.0
  O  O22  1  0.170  0.347  0.501  1.0
  O  O23  1  0.819  0.089  0.558  1.0
  O  O24  1  0.177  0.916  0.439  1.0
  O  O25  1  0.837  0.648  0.495  1.0
  O  O26  1  0.023  0.614  0.245  1.0
  O  O27  1  0.617  0.131  0.262  1.0
  O  O28  1  0.881  0.863  0.238  1.0
  O  O29  1  0.486  0.391  0.249  1.0
  O  O30  1  0.666  0.338  0.999  1.0
  O  O31  1  0.322  0.084  0.059  1.0
  F  F32  1  0.947  0.729  0.881  1.0
  F  F33  1  0.458  0.725  0.372  1.0
  F  F34  1  0.556  0.269  0.628  1.0
  F  F35  1  0.039  0.272  0.126  1.0
[/CIF]
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