The compound described by Li7Mn(O2F)2 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(2), one O(8), one F(1), and one F(2) atom to form distorted LiO2F2 trigonal pyramids that share  a cornercorner with one Mn(1)O4F2 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra, and  an edgeedge with one Li(5)O2F2 trigonal pyramid. The corner-sharing octahedral tilt angles are 33°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), and one F(4) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Mn(1)O4F2 octahedra, corners with three equivalent Li(10)O2F2 trigonal pyramids,  an edgeedge with one Li(14)O2F2 tetrahedra,  an edgeedge with one Li(4)O3F tetrahedra, and  an edgeedge with one Li(6)O3F trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. In the third Li site, Li(3) is bonded to one O(2), one O(5), one O(6), and one F(1) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Mn(1)O4F2 octahedra, corners with three equivalent Li(13)O3F tetrahedra, corners with three equivalent Li(5)O2F2 trigonal pyramids, and  an edgeedge with one Li(1)O2F2 trigonal pyramid. The corner-sharing octahedral tilt angles are 54°. In the fourth Li site, Li(4) is bonded to one O(1), one O(3), one O(7), and one F(3) atom to form LiO3F tetrahedra that share  a cornercorner with one Mn(1)O4F2 octahedra, corners with three equivalent Li(14)O2F2 tetrahedra, corners with three equivalent Li(6)O3F trigonal pyramids,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(10)O2F2 trigonal pyramid. The corner-sharing octahedral tilt angles are 22°. In the fifth Li site, Li(5) is bonded to one O(5), one O(6), one F(1), and one F(2) atom to form LiO2F2 trigonal pyramids that share  a cornercorner with one Mn(1)O4F2 octahedra, corners with three equivalent Li(13)O3F tetrahedra, corners with three equivalent Li(3)O3F tetrahedra, and  an edgeedge with one Li(1)O2F2 trigonal pyramid. The corner-sharing octahedral tilt angles are 58°. In the sixth Li site, Li(6) is bonded to one O(1), one O(4), one O(7), and one F(3) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one Mn(1)O4F2 octahedra, corners with three equivalent Li(14)O2F2 tetrahedra, corners with three equivalent Li(4)O3F tetrahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(10)O2F2 trigonal pyramid. The corner-sharing octahedral tilt angles are 35°. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(3), one O(5), one O(6), one F(1), and one F(4) atom. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(1), one O(7), one O(8), and one F(3) atom. In the ninth Li site, Li(9) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(5), one O(8), and one F(2) atom. In the tenth Li site, Li(10) is bonded to one O(3), one O(4), one F(3), and one F(4) atom to form LiO2F2 trigonal pyramids that share  a cornercorner with one Mn(1)O4F2 octahedra, corners with three equivalent Li(2)O3F tetrahedra,  an edgeedge with one Li(14)O2F2 tetrahedra,  an edgeedge with one Li(4)O3F tetrahedra, and  an edgeedge with one Li(6)O3F trigonal pyramid. The corner-sharing octahedral tilt angles are 58°. In the eleventh Li site, Li(11) is bonded in a 4-coordinate geometry to one O(2), one O(6), one O(8), and one F(2) atom. In the twelfth Li site, Li(12) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), one O(7), and one F(4) atom. In the thirteenth Li site, Li(13) is bonded to one O(5), one O(6), one O(8), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Mn(1)O4F2 octahedra, corners with three equivalent Li(3)O3F tetrahedra, corners with three equivalent Li(5)O2F2 trigonal pyramids, and  an edgeedge with one Li(1)O2F2 trigonal pyramid. The corner-sharing octahedral tilt angles are 54°. In the fourteenth Li site, Li(14) is bonded to one O(1), one O(7), one F(3), and one F(4) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Mn(1)O4F2 octahedra, corners with three equivalent Li(4)O3F tetrahedra, corners with three equivalent Li(6)O3F trigonal pyramids,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(10)O2F2 trigonal pyramid. The corner-sharing octahedral tilt angles are 29°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(7), one O(8), one F(2), and one F(3) atom to form distorted MnO4F2 octahedra that share  a cornercorner with one Li(14)O2F2 tetrahedra,  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Li(3)O3F tetrahedra,  a cornercorner with one Li(4)O3F tetrahedra,  a cornercorner with one Li(1)O2F2 trigonal pyramid,  a cornercorner with one Li(10)O2F2 trigonal pyramid,  a cornercorner with one Li(5)O2F2 trigonal pyramid,  a cornercorner with one Li(6)O3F trigonal pyramid,  an edgeedge with one Li(14)O2F2 tetrahedra,  an edgeedge with one Li(4)O3F tetrahedra,  an edgeedge with one Li(1)O2F2 trigonal pyramid, and  an edgeedge with one Li(6)O3F trigonal pyramid. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one F(1), and one F(4) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(14), one Li(2), one Li(4), one Li(6), one Li(8), and one Mn(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(11), one Li(3), one Li(9), and one Mn(1) atom. In the third O site, O(3) is bonded to one Li(10), one Li(12), one Li(2), one Li(4), one Li(7), and one Mn(2) atom to form distorted edge-sharing OLi5Mn pentagonal pyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(10), one Li(12), one Li(2), one Li(6), and one Mn(2) atom. In the fifth O site, O(5) is bonded to one Li(13), one Li(3), one Li(5), one Li(7), one Li(9), and one Mn(2) atom to form distorted edge-sharing OLi5Mn pentagonal pyramids. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Li(11), one Li(13), one Li(3), one Li(5), one Li(7), and one Mn(2) atom. In the seventh O site, O(7) is bonded to one Li(12), one Li(14), one Li(4), one Li(6), one Li(8), and one Mn(1) atom to form distorted edge-sharing OLi5Mn pentagonal pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(11), one Li(13), one Li(8), one Li(9), and one Mn(1) atom to form distorted edge-sharing OLi5Mn pentagonal pyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(13), one Li(3), one Li(5), one Li(7), and one Mn(2) atom. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(11), one Li(5), one Li(9), and one Mn(1) atom. In the third F site, F(3) is bonded in a 6-coordinate geometry to one Li(10), one Li(14), one Li(4), one Li(6), one Li(8), and one Mn(1) atom. In the fourth F site, F(4) is bonded in a 6-coordinate geometry to one Li(10), one Li(12), one Li(14), one Li(2), one Li(7), and one Mn(2) atom. is represented by the CIF file [CIF]
data_Li7Mn(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.514
_cell_length_b   5.677
_cell_length_c   10.254
_cell_angle_alpha   75.397
_cell_angle_beta   76.646
_cell_angle_gamma   61.231
_symmetry_Int_Tables_number   1
_cell_volume   269.989
_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  0.022  0.720  0.837  1.0
  Li  Li1  1  0.220  0.895  0.322  1.0
  Li  Li2  1  0.370  0.850  0.670  1.0
  Li  Li3  1  0.624  0.872  0.174  1.0
  Li  Li4  1  0.091  0.420  0.647  1.0
  Li  Li5  1  0.358  0.586  0.155  1.0
  Li  Li6  1  0.756  0.847  0.524  1.0
  Li  Li7  1  0.395  0.256  0.018  1.0
  Li  Li8  1  0.659  0.464  0.832  1.0
  Li  Li9  1  0.963  0.522  0.347  1.0
  Li  Li10  1  0.430  0.053  0.831  1.0
  Li  Li11  1  0.547  0.170  0.330  1.0
  Li  Li12  1  0.785  0.138  0.682  1.0
  Li  Li13  1  0.929  0.284  0.174  1.0
  Mn  Mn14  1  0.997  0.010  0.997  1.0
  Mn  Mn15  1  0.512  0.497  0.496  1.0
  O  O16  1  0.255  0.981  0.113  1.0
  O  O17  1  0.307  0.773  0.879  1.0
  O  O18  1  0.577  0.802  0.378  1.0
  O  O19  1  0.280  0.529  0.372  1.0
  O  O20  1  0.716  0.512  0.626  1.0
  O  O21  1  0.476  0.168  0.613  1.0
  O  O22  1  0.666  0.216  0.124  1.0
  O  O23  1  0.731  0.071  0.881  1.0
  F  F24  1  0.070  0.792  0.635  1.0
  F  F25  1  0.053  0.377  0.853  1.0
  F  F26  1  0.004  0.580  0.142  1.0
  F  F27  1  0.891  0.199  0.367  1.0
[/CIF]
.
The compound described by Li7Mn(O2F)2 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(2), one O(8), one F(1), and one F(2) atom to form distorted LiO2F2 trigonal pyramids that share  a cornercorner with one Mn(1)O4F2 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra, and  an edgeedge with one Li(5)O2F2 trigonal pyramid. The corner-sharing octahedral tilt angles are 33°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), and one F(4) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Mn(1)O4F2 octahedra, corners with three equivalent Li(10)O2F2 trigonal pyramids,  an edgeedge with one Li(14)O2F2 tetrahedra,  an edgeedge with one Li(4)O3F tetrahedra, and  an edgeedge with one Li(6)O3F trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. In the third Li site, Li(3) is bonded to one O(2), one O(5), one O(6), and one F(1) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Mn(1)O4F2 octahedra, corners with three equivalent Li(13)O3F tetrahedra, corners with three equivalent Li(5)O2F2 trigonal pyramids, and  an edgeedge with one Li(1)O2F2 trigonal pyramid. The corner-sharing octahedral tilt angles are 54°. In the fourth Li site, Li(4) is bonded to one O(1), one O(3), one O(7), and one F(3) atom to form LiO3F tetrahedra that share  a cornercorner with one Mn(1)O4F2 octahedra, corners with three equivalent Li(14)O2F2 tetrahedra, corners with three equivalent Li(6)O3F trigonal pyramids,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(10)O2F2 trigonal pyramid. The corner-sharing octahedral tilt angles are 22°. In the fifth Li site, Li(5) is bonded to one O(5), one O(6), one F(1), and one F(2) atom to form LiO2F2 trigonal pyramids that share  a cornercorner with one Mn(1)O4F2 octahedra, corners with three equivalent Li(13)O3F tetrahedra, corners with three equivalent Li(3)O3F tetrahedra, and  an edgeedge with one Li(1)O2F2 trigonal pyramid. The corner-sharing octahedral tilt angles are 58°. In the sixth Li site, Li(6) is bonded to one O(1), one O(4), one O(7), and one F(3) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one Mn(1)O4F2 octahedra, corners with three equivalent Li(14)O2F2 tetrahedra, corners with three equivalent Li(4)O3F tetrahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(10)O2F2 trigonal pyramid. The corner-sharing octahedral tilt angles are 35°. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(3), one O(5), one O(6), one F(1), and one F(4) atom. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(1), one O(7), one O(8), and one F(3) atom. In the ninth Li site, Li(9) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(5), one O(8), and one F(2) atom. In the tenth Li site, Li(10) is bonded to one O(3), one O(4), one F(3), and one F(4) atom to form LiO2F2 trigonal pyramids that share  a cornercorner with one Mn(1)O4F2 octahedra, corners with three equivalent Li(2)O3F tetrahedra,  an edgeedge with one Li(14)O2F2 tetrahedra,  an edgeedge with one Li(4)O3F tetrahedra, and  an edgeedge with one Li(6)O3F trigonal pyramid. The corner-sharing octahedral tilt angles are 58°. In the eleventh Li site, Li(11) is bonded in a 4-coordinate geometry to one O(2), one O(6), one O(8), and one F(2) atom. In the twelfth Li site, Li(12) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), one O(7), and one F(4) atom. In the thirteenth Li site, Li(13) is bonded to one O(5), one O(6), one O(8), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Mn(1)O4F2 octahedra, corners with three equivalent Li(3)O3F tetrahedra, corners with three equivalent Li(5)O2F2 trigonal pyramids, and  an edgeedge with one Li(1)O2F2 trigonal pyramid. The corner-sharing octahedral tilt angles are 54°. In the fourteenth Li site, Li(14) is bonded to one O(1), one O(7), one F(3), and one F(4) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Mn(1)O4F2 octahedra, corners with three equivalent Li(4)O3F tetrahedra, corners with three equivalent Li(6)O3F trigonal pyramids,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(10)O2F2 trigonal pyramid. The corner-sharing octahedral tilt angles are 29°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(7), one O(8), one F(2), and one F(3) atom to form distorted MnO4F2 octahedra that share  a cornercorner with one Li(14)O2F2 tetrahedra,  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Li(3)O3F tetrahedra,  a cornercorner with one Li(4)O3F tetrahedra,  a cornercorner with one Li(1)O2F2 trigonal pyramid,  a cornercorner with one Li(10)O2F2 trigonal pyramid,  a cornercorner with one Li(5)O2F2 trigonal pyramid,  a cornercorner with one Li(6)O3F trigonal pyramid,  an edgeedge with one Li(14)O2F2 tetrahedra,  an edgeedge with one Li(4)O3F tetrahedra,  an edgeedge with one Li(1)O2F2 trigonal pyramid, and  an edgeedge with one Li(6)O3F trigonal pyramid. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one F(1), and one F(4) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(14), one Li(2), one Li(4), one Li(6), one Li(8), and one Mn(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(11), one Li(3), one Li(9), and one Mn(1) atom. In the third O site, O(3) is bonded to one Li(10), one Li(12), one Li(2), one Li(4), one Li(7), and one Mn(2) atom to form distorted edge-sharing OLi5Mn pentagonal pyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(10), one Li(12), one Li(2), one Li(6), and one Mn(2) atom. In the fifth O site, O(5) is bonded to one Li(13), one Li(3), one Li(5), one Li(7), one Li(9), and one Mn(2) atom to form distorted edge-sharing OLi5Mn pentagonal pyramids. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Li(11), one Li(13), one Li(3), one Li(5), one Li(7), and one Mn(2) atom. In the seventh O site, O(7) is bonded to one Li(12), one Li(14), one Li(4), one Li(6), one Li(8), and one Mn(1) atom to form distorted edge-sharing OLi5Mn pentagonal pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(11), one Li(13), one Li(8), one Li(9), and one Mn(1) atom to form distorted edge-sharing OLi5Mn pentagonal pyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(13), one Li(3), one Li(5), one Li(7), and one Mn(2) atom. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(11), one Li(5), one Li(9), and one Mn(1) atom. In the third F site, F(3) is bonded in a 6-coordinate geometry to one Li(10), one Li(14), one Li(4), one Li(6), one Li(8), and one Mn(1) atom. In the fourth F site, F(4) is bonded in a 6-coordinate geometry to one Li(10), one Li(12), one Li(14), one Li(2), one Li(7), and one Mn(2) atom. is represented by the CIF file [CIF]
data_Li7Mn(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.514
_cell_length_b   5.677
_cell_length_c   10.254
_cell_angle_alpha   75.397
_cell_angle_beta   76.646
_cell_angle_gamma   61.231
_symmetry_Int_Tables_number   1
_cell_volume   269.989
_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  0.022  0.720  0.837  1.0
  Li  Li1  1  0.220  0.895  0.322  1.0
  Li  Li2  1  0.370  0.850  0.670  1.0
  Li  Li3  1  0.624  0.872  0.174  1.0
  Li  Li4  1  0.091  0.420  0.647  1.0
  Li  Li5  1  0.358  0.586  0.155  1.0
  Li  Li6  1  0.756  0.847  0.524  1.0
  Li  Li7  1  0.395  0.256  0.018  1.0
  Li  Li8  1  0.659  0.464  0.832  1.0
  Li  Li9  1  0.963  0.522  0.347  1.0
  Li  Li10  1  0.430  0.053  0.831  1.0
  Li  Li11  1  0.547  0.170  0.330  1.0
  Li  Li12  1  0.785  0.138  0.682  1.0
  Li  Li13  1  0.929  0.284  0.174  1.0
  Mn  Mn14  1  0.997  0.010  0.997  1.0
  Mn  Mn15  1  0.512  0.497  0.496  1.0
  O  O16  1  0.255  0.981  0.113  1.0
  O  O17  1  0.307  0.773  0.879  1.0
  O  O18  1  0.577  0.802  0.378  1.0
  O  O19  1  0.280  0.529  0.372  1.0
  O  O20  1  0.716  0.512  0.626  1.0
  O  O21  1  0.476  0.168  0.613  1.0
  O  O22  1  0.666  0.216  0.124  1.0
  O  O23  1  0.731  0.071  0.881  1.0
  F  F24  1  0.070  0.792  0.635  1.0
  F  F25  1  0.053  0.377  0.853  1.0
  F  F26  1  0.004  0.580  0.142  1.0
  F  F27  1  0.891  0.199  0.367  1.0
[/CIF]
.