The material structure described by Li7Mn(OF)3 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one F(2), and one F(5) atom to form LiO2F2 tetrahedra that share corners with two equivalent Li(11)O3F3 octahedra, corners with two equivalent Mn(1)O3F3 octahedra,  a cornercorner with one Li(12)O4F square pyramid,  a cornercorner with one Li(2)O2F2 tetrahedra, corners with two equivalent Li(10)O3F tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one Li(11)O3F3 octahedra,  an edgeedge with one Li(12)O4F square pyramid,  an edgeedge with one Li(13)O2F2 tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(14)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 14-59°. In the second Li site, Li(2) is bonded to one O(1), one O(4), one F(1), and one F(6) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Li(11)O3F3 octahedra, corners with two equivalent Mn(1)O3F3 octahedra,  a cornercorner with one Li(12)O4F square pyramid,  a cornercorner with one Li(1)O2F2 tetrahedra, corners with two equivalent Li(9)O2F2 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, corners with two equivalent Li(4)OF4 trigonal bipyramids,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Li(13)O2F2 tetrahedra, and  an edgeedge with one Li(7)O2F2 tetrahedra. The corner-sharing octahedral tilt angles range from 20-55°. In the third Li site, Li(3) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(4), one F(1), and one F(6) atom. In the fourth Li site, Li(4) is bonded to one O(2), one F(1), one F(3), one F(4), and one F(6) atom to form distorted LiOF4 trigonal bipyramids that share  a cornercorner with one Li(11)O3F3 octahedra,  a cornercorner with one Li(13)O2F2 tetrahedra,  a cornercorner with one Li(5)O2F2 tetrahedra,  a cornercorner with one Li(9)O2F2 tetrahedra,  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(14)OF3 tetrahedra, corners with two equivalent Li(2)O2F2 tetrahedra,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Li(5)O2F2 tetrahedra,  an edgeedge with one Li(7)O2F2 tetrahedra, and  an edgeedge with one Li(9)O2F2 tetrahedra. The corner-sharing octahedral tilt angles are 70°. In the fifth Li site, Li(5) is bonded to one O(2), one O(6), one F(3), and one F(4) atom to form distorted LiO2F2 tetrahedra that share  a cornercorner with one Li(12)O4F square pyramid,  a cornercorner with one Li(7)O2F2 tetrahedra,  a cornercorner with one Li(6)O3F tetrahedra, corners with two equivalent Li(14)OF3 tetrahedra,  a cornercorner with one Li(4)OF4 trigonal bipyramid,  an edgeedge with one Li(11)O3F3 octahedra,  an edgeedge with one Li(9)O2F2 tetrahedra,  an edgeedge with one Li(10)O3F tetrahedra, and  an edgeedge with one Li(4)OF4 trigonal bipyramid. In the sixth Li site, Li(6) is bonded to one O(3), one O(5), one O(6), and one F(5) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(11)O3F3 octahedra, corners with two equivalent Li(12)O4F square pyramids,  a cornercorner with one Li(5)O2F2 tetrahedra,  a cornercorner with one Li(7)O2F2 tetrahedra, corners with two equivalent Li(13)O2F2 tetrahedra, corners with two equivalent Li(14)OF3 tetrahedra,  an edgeedge with one Li(11)O3F3 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Li(12)O4F square pyramid,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(10)O3F tetrahedra, and  an edgeedge with one Li(8)O4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. In the seventh Li site, Li(7) is bonded to one O(4), one O(5), one F(3), and one F(6) atom to form distorted LiO2F2 tetrahedra that share  a cornercorner with one Mn(1)O3F3 octahedra,  a cornercorner with one Li(12)O4F square pyramid,  a cornercorner with one Li(5)O2F2 tetrahedra,  a cornercorner with one Li(6)O3F tetrahedra, corners with two equivalent Li(13)O2F2 tetrahedra,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Li(2)O2F2 tetrahedra,  an edgeedge with one Li(9)O2F2 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Li(4)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles are 56°. In the eighth Li site, Li(8) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O3F3 octahedra, corners with three equivalent Li(12)O4F square pyramids,  a cornercorner with one Li(9)O2F2 tetrahedra,  a cornercorner with one Li(10)O3F tetrahedra, corners with two equivalent Li(1)O2F2 tetrahedra, corners with two equivalent Li(2)O2F2 tetrahedra,  an edgeedge with one Li(11)O3F3 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Li(13)O2F2 tetrahedra,  an edgeedge with one Li(7)O2F2 tetrahedra, and  an edgeedge with one Li(6)O3F tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the ninth Li site, Li(9) is bonded to one O(2), one O(4), one F(1), and one F(3) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(2)O2F2 tetrahedra,  a cornercorner with one Li(4)OF4 trigonal bipyramid,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Li(5)O2F2 tetrahedra,  an edgeedge with one Li(7)O2F2 tetrahedra, and  an edgeedge with one Li(4)OF4 trigonal bipyramid. In the tenth Li site, Li(10) is bonded to one O(2), one O(3), one O(6), and one F(2) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(11)O3F3 octahedra, corners with two equivalent Li(12)O4F square pyramids,  a cornercorner with one Li(9)O2F2 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(1)O2F2 tetrahedra,  a cornercorner with one Li(4)OF4 trigonal bipyramid,  an edgeedge with one Li(11)O3F3 octahedra,  an edgeedge with one Li(5)O2F2 tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(14)OF3 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the eleventh Li site, Li(11) is bonded to one O(1), one O(3), one O(6), one F(2), one F(4), and one F(5) atom to form distorted LiO3F3 octahedra that share  a cornercorner with one Li(2)O2F2 tetrahedra,  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(6)O3F tetrahedra, corners with two equivalent Li(1)O2F2 tetrahedra, corners with two equivalent Li(13)O2F2 tetrahedra, corners with two equivalent Li(14)OF3 tetrahedra,  a cornercorner with one Li(4)OF4 trigonal bipyramid,  an edgeedge with one Mn(1)O3F3 octahedra, edges with two equivalent Li(12)O4F square pyramids,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(5)O2F2 tetrahedra,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Li(14)OF3 tetrahedra. In the twelfth Li site, Li(12) is bonded to one O(1), one O(3), one O(5), one O(6), and one F(5) atom to form distorted LiO4F square pyramids that share  a cornercorner with one Mn(1)O3F3 octahedra,  a cornercorner with one Li(1)O2F2 tetrahedra,  a cornercorner with one Li(13)O2F2 tetrahedra,  a cornercorner with one Li(2)O2F2 tetrahedra,  a cornercorner with one Li(5)O2F2 tetrahedra,  a cornercorner with one Li(7)O2F2 tetrahedra, corners with two equivalent Li(10)O3F tetrahedra, corners with two equivalent Li(6)O3F tetrahedra, corners with three equivalent Li(8)O4 tetrahedra,  an edgeedge with one Mn(1)O3F3 octahedra, edges with two equivalent Li(11)O3F3 octahedra,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(13)O2F2 tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(14)OF3 tetrahedra. The corner-sharing octahedral tilt angles are 88°. In the thirteenth Li site, Li(13) is bonded to one O(1), one O(5), one F(5), and one F(6) atom to form distorted LiO2F2 tetrahedra that share corners with two equivalent Li(11)O3F3 octahedra, corners with two equivalent Mn(1)O3F3 octahedra,  a cornercorner with one Li(12)O4F square pyramid,  a cornercorner with one Li(14)OF3 tetrahedra, corners with two equivalent Li(7)O2F2 tetrahedra, corners with two equivalent Li(6)O3F tetrahedra,  a cornercorner with one Li(4)OF4 trigonal bipyramid,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Li(12)O4F square pyramid,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(2)O2F2 tetrahedra, and  an edgeedge with one Li(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-59°. In the fourteenth Li site, Li(14) is bonded to one O(6), one F(2), one F(4), and one F(5) atom to form LiOF3 tetrahedra that share  a cornercorner with one Mn(1)O3F3 octahedra, corners with two equivalent Li(11)O3F3 octahedra,  a cornercorner with one Li(13)O2F2 tetrahedra, corners with two equivalent Li(5)O2F2 tetrahedra, corners with two equivalent Li(6)O3F tetrahedra,  a cornercorner with one Li(4)OF4 trigonal bipyramid,  an edgeedge with one Li(11)O3F3 octahedra,  an edgeedge with one Li(12)O4F square pyramid,  an edgeedge with one Li(1)O2F2 tetrahedra, and  an edgeedge with one Li(10)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 22-45°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), one O(5), one F(1), one F(5), and one F(6) atom to form distorted MnO3F3 octahedra that share  a cornercorner with one Li(12)O4F square pyramid,  a cornercorner with one Li(7)O2F2 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(14)OF3 tetrahedra, corners with two equivalent Li(1)O2F2 tetrahedra, corners with two equivalent Li(13)O2F2 tetrahedra, corners with two equivalent Li(2)O2F2 tetrahedra,  an edgeedge with one Li(11)O3F3 octahedra,  an edgeedge with one Li(12)O4F square pyramid,  an edgeedge with one Li(13)O2F2 tetrahedra,  an edgeedge with one Li(2)O2F2 tetrahedra,  an edgeedge with one Li(7)O2F2 tetrahedra,  an edgeedge with one Li(9)O2F2 tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Li(4)OF4 trigonal bipyramid. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(6), one F(2), one F(3), and one F(4) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(1), one Li(11), one Li(12), one Li(13), one Li(2), one Li(8), and one Mn(1) atom. In the second O site, O(2) is bonded to one Li(10), one Li(3), one Li(4), one Li(5), one Li(9), and one Mn(2) atom to form OLi5Mn octahedra that share  a cornercorner with one F(4)Li4Mn trigonal bipyramid and  an edgeedge with one F(4)Li4Mn trigonal bipyramid. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(11), one Li(12), one Li(6), one Li(8), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), one Li(7), one Li(8), one Li(9), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a distorted pentagonal pyramidal geometry to one Li(12), one Li(13), one Li(6), one Li(7), one Li(8), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(10), one Li(11), one Li(12), one Li(14), one Li(5), one Li(6), and one Mn(2) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(9), and one Mn(1) atom. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(10), one Li(11), one Li(14), and one Mn(2) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Li(7), one Li(9), and one Mn(2) atom. In the fourth F site, F(4) is bonded to one Li(11), one Li(14), one Li(4), one Li(5), and one Mn(2) atom to form distorted FLi4Mn trigonal bipyramids that share  a cornercorner with one O(2)Li5Mn octahedra and  an edgeedge with one O(2)Li5Mn octahedra. The corner-sharing octahedral tilt angles are 50°. In the fifth F site, F(5) is bonded in a 7-coordinate geometry to one Li(1), one Li(11), one Li(12), one Li(13), one Li(14), one Li(6), and one Mn(1) atom. In the sixth F site, F(6) is bonded in a 6-coordinate geometry to one Li(13), one Li(2), one Li(3), one Li(4), one Li(7), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Li7Mn(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.520
_cell_length_b   6.075
_cell_length_c   9.776
_cell_angle_alpha   104.731
_cell_angle_beta   87.025
_cell_angle_gamma   116.972
_symmetry_Int_Tables_number   1
_cell_volume   281.772
_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
  Li  Li0  1  0.529  0.367  0.747  1.0
  Li  Li1  1  0.533  0.349  0.058  1.0
  Li  Li2  1  0.563  0.091  0.207  1.0
  Li  Li3  1  0.914  0.941  0.316  1.0
  Li  Li4  1  0.947  0.603  0.444  1.0
  Li  Li5  1  0.003  0.632  0.754  1.0
  Li  Li6  1  0.004  0.632  0.100  1.0
  Li  Li7  1  0.988  0.357  0.885  1.0
  Li  Li8  1  0.052  0.367  0.239  1.0
  Li  Li9  1  0.029  0.355  0.552  1.0
  Li  Li10  1  0.018  0.034  0.674  1.0
  Li  Li11  1  0.454  0.999  0.820  1.0
  Li  Li12  1  0.451  0.653  0.951  1.0
  Li  Li13  1  0.497  0.644  0.603  1.0
  Mn  Mn14  1  0.018  0.017  0.991  1.0
  Mn  Mn15  1  0.522  0.027  0.510  1.0
  O  O16  1  0.300  0.268  0.885  1.0
  O  O17  1  0.806  0.221  0.378  1.0
  O  O18  1  0.792  0.245  0.702  1.0
  O  O19  1  0.818  0.248  0.059  1.0
  O  O20  1  0.173  0.748  0.940  1.0
  O  O21  1  0.220  0.752  0.605  1.0
  F  F22  1  0.283  0.206  0.199  1.0
  F  F23  1  0.318  0.282  0.574  1.0
  F  F24  1  0.143  0.738  0.289  1.0
  F  F25  1  0.760  0.793  0.483  1.0
  F  F26  1  0.698  0.736  0.782  1.0
  F  F27  1  0.698  0.724  0.121  1.0
[/CIF]
.
The material structure described by Li7Mn(OF)3 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one F(2), and one F(5) atom to form LiO2F2 tetrahedra that share corners with two equivalent Li(11)O3F3 octahedra, corners with two equivalent Mn(1)O3F3 octahedra,  a cornercorner with one Li(12)O4F square pyramid,  a cornercorner with one Li(2)O2F2 tetrahedra, corners with two equivalent Li(10)O3F tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one Li(11)O3F3 octahedra,  an edgeedge with one Li(12)O4F square pyramid,  an edgeedge with one Li(13)O2F2 tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(14)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 14-59°. In the second Li site, Li(2) is bonded to one O(1), one O(4), one F(1), and one F(6) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Li(11)O3F3 octahedra, corners with two equivalent Mn(1)O3F3 octahedra,  a cornercorner with one Li(12)O4F square pyramid,  a cornercorner with one Li(1)O2F2 tetrahedra, corners with two equivalent Li(9)O2F2 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, corners with two equivalent Li(4)OF4 trigonal bipyramids,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Li(13)O2F2 tetrahedra, and  an edgeedge with one Li(7)O2F2 tetrahedra. The corner-sharing octahedral tilt angles range from 20-55°. In the third Li site, Li(3) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(4), one F(1), and one F(6) atom. In the fourth Li site, Li(4) is bonded to one O(2), one F(1), one F(3), one F(4), and one F(6) atom to form distorted LiOF4 trigonal bipyramids that share  a cornercorner with one Li(11)O3F3 octahedra,  a cornercorner with one Li(13)O2F2 tetrahedra,  a cornercorner with one Li(5)O2F2 tetrahedra,  a cornercorner with one Li(9)O2F2 tetrahedra,  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(14)OF3 tetrahedra, corners with two equivalent Li(2)O2F2 tetrahedra,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Li(5)O2F2 tetrahedra,  an edgeedge with one Li(7)O2F2 tetrahedra, and  an edgeedge with one Li(9)O2F2 tetrahedra. The corner-sharing octahedral tilt angles are 70°. In the fifth Li site, Li(5) is bonded to one O(2), one O(6), one F(3), and one F(4) atom to form distorted LiO2F2 tetrahedra that share  a cornercorner with one Li(12)O4F square pyramid,  a cornercorner with one Li(7)O2F2 tetrahedra,  a cornercorner with one Li(6)O3F tetrahedra, corners with two equivalent Li(14)OF3 tetrahedra,  a cornercorner with one Li(4)OF4 trigonal bipyramid,  an edgeedge with one Li(11)O3F3 octahedra,  an edgeedge with one Li(9)O2F2 tetrahedra,  an edgeedge with one Li(10)O3F tetrahedra, and  an edgeedge with one Li(4)OF4 trigonal bipyramid. In the sixth Li site, Li(6) is bonded to one O(3), one O(5), one O(6), and one F(5) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(11)O3F3 octahedra, corners with two equivalent Li(12)O4F square pyramids,  a cornercorner with one Li(5)O2F2 tetrahedra,  a cornercorner with one Li(7)O2F2 tetrahedra, corners with two equivalent Li(13)O2F2 tetrahedra, corners with two equivalent Li(14)OF3 tetrahedra,  an edgeedge with one Li(11)O3F3 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Li(12)O4F square pyramid,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(10)O3F tetrahedra, and  an edgeedge with one Li(8)O4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. In the seventh Li site, Li(7) is bonded to one O(4), one O(5), one F(3), and one F(6) atom to form distorted LiO2F2 tetrahedra that share  a cornercorner with one Mn(1)O3F3 octahedra,  a cornercorner with one Li(12)O4F square pyramid,  a cornercorner with one Li(5)O2F2 tetrahedra,  a cornercorner with one Li(6)O3F tetrahedra, corners with two equivalent Li(13)O2F2 tetrahedra,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Li(2)O2F2 tetrahedra,  an edgeedge with one Li(9)O2F2 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Li(4)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles are 56°. In the eighth Li site, Li(8) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O3F3 octahedra, corners with three equivalent Li(12)O4F square pyramids,  a cornercorner with one Li(9)O2F2 tetrahedra,  a cornercorner with one Li(10)O3F tetrahedra, corners with two equivalent Li(1)O2F2 tetrahedra, corners with two equivalent Li(2)O2F2 tetrahedra,  an edgeedge with one Li(11)O3F3 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Li(13)O2F2 tetrahedra,  an edgeedge with one Li(7)O2F2 tetrahedra, and  an edgeedge with one Li(6)O3F tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the ninth Li site, Li(9) is bonded to one O(2), one O(4), one F(1), and one F(3) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(2)O2F2 tetrahedra,  a cornercorner with one Li(4)OF4 trigonal bipyramid,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Li(5)O2F2 tetrahedra,  an edgeedge with one Li(7)O2F2 tetrahedra, and  an edgeedge with one Li(4)OF4 trigonal bipyramid. In the tenth Li site, Li(10) is bonded to one O(2), one O(3), one O(6), and one F(2) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(11)O3F3 octahedra, corners with two equivalent Li(12)O4F square pyramids,  a cornercorner with one Li(9)O2F2 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(1)O2F2 tetrahedra,  a cornercorner with one Li(4)OF4 trigonal bipyramid,  an edgeedge with one Li(11)O3F3 octahedra,  an edgeedge with one Li(5)O2F2 tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(14)OF3 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the eleventh Li site, Li(11) is bonded to one O(1), one O(3), one O(6), one F(2), one F(4), and one F(5) atom to form distorted LiO3F3 octahedra that share  a cornercorner with one Li(2)O2F2 tetrahedra,  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(6)O3F tetrahedra, corners with two equivalent Li(1)O2F2 tetrahedra, corners with two equivalent Li(13)O2F2 tetrahedra, corners with two equivalent Li(14)OF3 tetrahedra,  a cornercorner with one Li(4)OF4 trigonal bipyramid,  an edgeedge with one Mn(1)O3F3 octahedra, edges with two equivalent Li(12)O4F square pyramids,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(5)O2F2 tetrahedra,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Li(14)OF3 tetrahedra. In the twelfth Li site, Li(12) is bonded to one O(1), one O(3), one O(5), one O(6), and one F(5) atom to form distorted LiO4F square pyramids that share  a cornercorner with one Mn(1)O3F3 octahedra,  a cornercorner with one Li(1)O2F2 tetrahedra,  a cornercorner with one Li(13)O2F2 tetrahedra,  a cornercorner with one Li(2)O2F2 tetrahedra,  a cornercorner with one Li(5)O2F2 tetrahedra,  a cornercorner with one Li(7)O2F2 tetrahedra, corners with two equivalent Li(10)O3F tetrahedra, corners with two equivalent Li(6)O3F tetrahedra, corners with three equivalent Li(8)O4 tetrahedra,  an edgeedge with one Mn(1)O3F3 octahedra, edges with two equivalent Li(11)O3F3 octahedra,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(13)O2F2 tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(14)OF3 tetrahedra. The corner-sharing octahedral tilt angles are 88°. In the thirteenth Li site, Li(13) is bonded to one O(1), one O(5), one F(5), and one F(6) atom to form distorted LiO2F2 tetrahedra that share corners with two equivalent Li(11)O3F3 octahedra, corners with two equivalent Mn(1)O3F3 octahedra,  a cornercorner with one Li(12)O4F square pyramid,  a cornercorner with one Li(14)OF3 tetrahedra, corners with two equivalent Li(7)O2F2 tetrahedra, corners with two equivalent Li(6)O3F tetrahedra,  a cornercorner with one Li(4)OF4 trigonal bipyramid,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Li(12)O4F square pyramid,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(2)O2F2 tetrahedra, and  an edgeedge with one Li(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-59°. In the fourteenth Li site, Li(14) is bonded to one O(6), one F(2), one F(4), and one F(5) atom to form LiOF3 tetrahedra that share  a cornercorner with one Mn(1)O3F3 octahedra, corners with two equivalent Li(11)O3F3 octahedra,  a cornercorner with one Li(13)O2F2 tetrahedra, corners with two equivalent Li(5)O2F2 tetrahedra, corners with two equivalent Li(6)O3F tetrahedra,  a cornercorner with one Li(4)OF4 trigonal bipyramid,  an edgeedge with one Li(11)O3F3 octahedra,  an edgeedge with one Li(12)O4F square pyramid,  an edgeedge with one Li(1)O2F2 tetrahedra, and  an edgeedge with one Li(10)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 22-45°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), one O(5), one F(1), one F(5), and one F(6) atom to form distorted MnO3F3 octahedra that share  a cornercorner with one Li(12)O4F square pyramid,  a cornercorner with one Li(7)O2F2 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(14)OF3 tetrahedra, corners with two equivalent Li(1)O2F2 tetrahedra, corners with two equivalent Li(13)O2F2 tetrahedra, corners with two equivalent Li(2)O2F2 tetrahedra,  an edgeedge with one Li(11)O3F3 octahedra,  an edgeedge with one Li(12)O4F square pyramid,  an edgeedge with one Li(13)O2F2 tetrahedra,  an edgeedge with one Li(2)O2F2 tetrahedra,  an edgeedge with one Li(7)O2F2 tetrahedra,  an edgeedge with one Li(9)O2F2 tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Li(4)OF4 trigonal bipyramid. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(6), one F(2), one F(3), and one F(4) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(1), one Li(11), one Li(12), one Li(13), one Li(2), one Li(8), and one Mn(1) atom. In the second O site, O(2) is bonded to one Li(10), one Li(3), one Li(4), one Li(5), one Li(9), and one Mn(2) atom to form OLi5Mn octahedra that share  a cornercorner with one F(4)Li4Mn trigonal bipyramid and  an edgeedge with one F(4)Li4Mn trigonal bipyramid. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(11), one Li(12), one Li(6), one Li(8), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), one Li(7), one Li(8), one Li(9), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a distorted pentagonal pyramidal geometry to one Li(12), one Li(13), one Li(6), one Li(7), one Li(8), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(10), one Li(11), one Li(12), one Li(14), one Li(5), one Li(6), and one Mn(2) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(9), and one Mn(1) atom. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(10), one Li(11), one Li(14), and one Mn(2) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Li(7), one Li(9), and one Mn(2) atom. In the fourth F site, F(4) is bonded to one Li(11), one Li(14), one Li(4), one Li(5), and one Mn(2) atom to form distorted FLi4Mn trigonal bipyramids that share  a cornercorner with one O(2)Li5Mn octahedra and  an edgeedge with one O(2)Li5Mn octahedra. The corner-sharing octahedral tilt angles are 50°. In the fifth F site, F(5) is bonded in a 7-coordinate geometry to one Li(1), one Li(11), one Li(12), one Li(13), one Li(14), one Li(6), and one Mn(1) atom. In the sixth F site, F(6) is bonded in a 6-coordinate geometry to one Li(13), one Li(2), one Li(3), one Li(4), one Li(7), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Li7Mn(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.520
_cell_length_b   6.075
_cell_length_c   9.776
_cell_angle_alpha   104.731
_cell_angle_beta   87.025
_cell_angle_gamma   116.972
_symmetry_Int_Tables_number   1
_cell_volume   281.772
_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
  Li  Li0  1  0.529  0.367  0.747  1.0
  Li  Li1  1  0.533  0.349  0.058  1.0
  Li  Li2  1  0.563  0.091  0.207  1.0
  Li  Li3  1  0.914  0.941  0.316  1.0
  Li  Li4  1  0.947  0.603  0.444  1.0
  Li  Li5  1  0.003  0.632  0.754  1.0
  Li  Li6  1  0.004  0.632  0.100  1.0
  Li  Li7  1  0.988  0.357  0.885  1.0
  Li  Li8  1  0.052  0.367  0.239  1.0
  Li  Li9  1  0.029  0.355  0.552  1.0
  Li  Li10  1  0.018  0.034  0.674  1.0
  Li  Li11  1  0.454  0.999  0.820  1.0
  Li  Li12  1  0.451  0.653  0.951  1.0
  Li  Li13  1  0.497  0.644  0.603  1.0
  Mn  Mn14  1  0.018  0.017  0.991  1.0
  Mn  Mn15  1  0.522  0.027  0.510  1.0
  O  O16  1  0.300  0.268  0.885  1.0
  O  O17  1  0.806  0.221  0.378  1.0
  O  O18  1  0.792  0.245  0.702  1.0
  O  O19  1  0.818  0.248  0.059  1.0
  O  O20  1  0.173  0.748  0.940  1.0
  O  O21  1  0.220  0.752  0.605  1.0
  F  F22  1  0.283  0.206  0.199  1.0
  F  F23  1  0.318  0.282  0.574  1.0
  F  F24  1  0.143  0.738  0.289  1.0
  F  F25  1  0.760  0.793  0.483  1.0
  F  F26  1  0.698  0.736  0.782  1.0
  F  F27  1  0.698  0.724  0.121  1.0
[/CIF]
.