The crystal structure described by Li4Mn5O9F crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(9) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Mn(2)O5F octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Li(3)O5 square pyramids, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Mn(4)O6 octahedra, and edges with three equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the second Li site, Li(2) is bonded to one O(4), two equivalent O(2), two equivalent O(6), and one F(1) atom to form LiO5F octahedra that share  a cornercorner with one Mn(2)O5F octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, edges with two equivalent Li(2)O5F octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. In the third Li site, Li(3) is bonded to one O(7), two equivalent O(3), and two equivalent O(8) atoms to form distorted LiO5 square pyramids that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(2)O5F octahedra, corners with four equivalent Mn(5)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Mn(2)O5F octahedra, and edges with two equivalent Li(3)O5 square pyramids. The corner-sharing octahedral tilt angles range from 11-86°. In the fourth Li site, Li(4) is bonded to one O(6), one O(9), two equivalent O(1), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(5)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, edges with two equivalent Li(2)O5F octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(2)O5F octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with three equivalent Li(2)O5F octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Mn site, Mn(2) is bonded to one O(3), two equivalent O(7), two equivalent O(8), and one F(1) atom to form distorted MnO5F octahedra that share  a cornercorner with one Li(2)O5F octahedra,  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(3)O5 square pyramids, edges with two equivalent Mn(2)O5F octahedra, edges with two equivalent Mn(5)O6 octahedra, and edges with three equivalent Li(3)O5 square pyramids. The corner-sharing octahedral tilt angles range from 6-14°. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(6), one O(7), two equivalent O(2), and two equivalent F(1) atoms. In the fourth Mn site, Mn(4) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form MnO6 octahedra that share  a cornercorner with one Li(2)O5F octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the fifth Mn site, Mn(5) is bonded to one O(8), one O(9), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(3)O5 square pyramids, edges with two equivalent Mn(2)O5F octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and  an edgeedge with one Li(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 5-10°. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(4), one Mn(1), and two equivalent Mn(4) atoms to form distorted OLi3Mn3 octahedra that share  a cornercorner with one O(3)Li3Mn3 octahedra, corners with two equivalent O(4)Li3Mn3 octahedra, corners with two equivalent O(9)Li3Mn3 octahedra,  a cornercorner with one O(2)Li2Mn3 trigonal bipyramid, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(6)Li3Mn3 octahedra, edges with three equivalent O(4)Li3Mn3 octahedra, edges with three equivalent O(9)Li3Mn3 octahedra, and edges with two equivalent O(5)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 4-5°. In the second O site, O(2) is bonded to two equivalent Li(2), one Mn(1), and two equivalent Mn(3) atoms to form distorted OLi2Mn3 trigonal bipyramids that share  a cornercorner with one O(1)Li3Mn3 octahedra, corners with two equivalent O(6)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with three equivalent O(6)Li3Mn3 octahedra, and edges with two equivalent O(2)Li2Mn3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 4-12°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(3), one Mn(2), and two equivalent Mn(5) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra, corners with two equivalent O(8)Li2Mn3 square pyramids, corners with four equivalent O(5)Li2Mn3 square pyramids, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(9)Li3Mn3 octahedra,  an edgeedge with one O(5)Li2Mn3 square pyramid, and edges with three equivalent O(8)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Li(4), one Mn(4), and two equivalent Mn(1) atoms to form OLi3Mn3 octahedra that share corners with two equivalent O(1)Li3Mn3 octahedra, corners with two equivalent O(6)Li3Mn3 octahedra,  a cornercorner with one O(5)Li2Mn3 square pyramid, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(9)Li3Mn3 octahedra, edges with three equivalent O(1)Li3Mn3 octahedra, edges with three equivalent O(6)Li3Mn3 octahedra, and edges with two equivalent O(2)Li2Mn3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 4°. In the fifth O site, O(5) is bonded to two equivalent Li(1), one Mn(4), and two equivalent Mn(5) atoms to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(4)Li3Mn3 octahedra, corners with two equivalent O(9)Li3Mn3 octahedra, corners with four equivalent O(3)Li3Mn3 octahedra, corners with two equivalent O(8)Li2Mn3 square pyramids,  an edgeedge with one O(3)Li3Mn3 octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, edges with three equivalent O(9)Li3Mn3 octahedra, and edges with two equivalent O(5)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 4-80°. In the sixth O site, O(6) is bonded to one Li(4), two equivalent Li(2), one Mn(3), and two equivalent Mn(1) atoms to form distorted OLi3Mn3 octahedra that share  a cornercorner with one O(9)Li3Mn3 octahedra, corners with two equivalent O(4)Li3Mn3 octahedra, corners with two equivalent O(2)Li2Mn3 trigonal bipyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(6)Li3Mn3 octahedra, edges with three equivalent O(4)Li3Mn3 octahedra, and edges with three equivalent O(2)Li2Mn3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-4°. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(3), and two equivalent Mn(2) atoms. In the eighth O site, O(8) is bonded to two equivalent Li(3), one Mn(5), and two equivalent Mn(2) atoms to form OLi2Mn3 square pyramids that share  a cornercorner with one O(9)Li3Mn3 octahedra, corners with two equivalent O(3)Li3Mn3 octahedra, corners with two equivalent O(5)Li2Mn3 square pyramids, edges with three equivalent O(3)Li3Mn3 octahedra, and edges with two equivalent O(8)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 1-17°. In the ninth O site, O(9) is bonded to one Li(4), two equivalent Li(1), one Mn(5), and two equivalent Mn(4) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(6)Li3Mn3 octahedra, corners with two equivalent O(1)Li3Mn3 octahedra,  a cornercorner with one O(8)Li2Mn3 square pyramid, corners with two equivalent O(5)Li2Mn3 square pyramids, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(9)Li3Mn3 octahedra, edges with three equivalent O(1)Li3Mn3 octahedra, and edges with three equivalent O(5)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 2-5°. F(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(2), and two equivalent Mn(3) atoms. is represented by the CIF card [CIF]
data_Li4Mn5O9F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.134
_cell_length_b   5.134
_cell_length_c   13.984
_cell_angle_alpha   78.233
_cell_angle_beta   78.233
_cell_angle_gamma   32.779
_symmetry_Int_Tables_number   1
_cell_volume   195.018
_cell_formula_units_Z   1
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  0.803  0.803  0.394  1.0
  Li  Li1  1  0.608  0.608  0.796  1.0
  Li  Li2  1  0.384  0.384  0.186  1.0
  Li  Li3  1  0.210  0.210  0.602  1.0
  Mn  Mn4  1  0.910  0.910  0.700  1.0
  Mn  Mn5  1  0.668  0.668  0.103  1.0
  Mn  Mn6  1  0.329  0.329  0.909  1.0
  Mn  Mn7  1  0.511  0.511  0.505  1.0
  Mn  Mn8  1  0.093  0.093  0.304  1.0
  O  O9  1  0.877  0.877  0.558  1.0
  O  O10  1  0.953  0.953  0.826  1.0
  O  O11  1  0.727  0.727  0.261  1.0
  O  O12  1  0.544  0.544  0.657  1.0
  O  O13  1  0.462  0.462  0.357  1.0
  O  O14  1  0.277  0.277  0.732  1.0
  O  O15  1  0.298  0.298  0.061  1.0
  O  O16  1  0.040  0.040  0.157  1.0
  O  O17  1  0.145  0.145  0.464  1.0
  F  F18  1  0.662  0.662  0.927  1.0
[/CIF]
.
The crystal structure described by Li4Mn5O9F crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(9) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Mn(2)O5F octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Li(3)O5 square pyramids, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Mn(4)O6 octahedra, and edges with three equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the second Li site, Li(2) is bonded to one O(4), two equivalent O(2), two equivalent O(6), and one F(1) atom to form LiO5F octahedra that share  a cornercorner with one Mn(2)O5F octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, edges with two equivalent Li(2)O5F octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. In the third Li site, Li(3) is bonded to one O(7), two equivalent O(3), and two equivalent O(8) atoms to form distorted LiO5 square pyramids that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(2)O5F octahedra, corners with four equivalent Mn(5)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Mn(2)O5F octahedra, and edges with two equivalent Li(3)O5 square pyramids. The corner-sharing octahedral tilt angles range from 11-86°. In the fourth Li site, Li(4) is bonded to one O(6), one O(9), two equivalent O(1), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(5)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, edges with two equivalent Li(2)O5F octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(2)O5F octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with three equivalent Li(2)O5F octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Mn site, Mn(2) is bonded to one O(3), two equivalent O(7), two equivalent O(8), and one F(1) atom to form distorted MnO5F octahedra that share  a cornercorner with one Li(2)O5F octahedra,  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(3)O5 square pyramids, edges with two equivalent Mn(2)O5F octahedra, edges with two equivalent Mn(5)O6 octahedra, and edges with three equivalent Li(3)O5 square pyramids. The corner-sharing octahedral tilt angles range from 6-14°. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(6), one O(7), two equivalent O(2), and two equivalent F(1) atoms. In the fourth Mn site, Mn(4) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form MnO6 octahedra that share  a cornercorner with one Li(2)O5F octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the fifth Mn site, Mn(5) is bonded to one O(8), one O(9), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(3)O5 square pyramids, edges with two equivalent Mn(2)O5F octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and  an edgeedge with one Li(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 5-10°. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(4), one Mn(1), and two equivalent Mn(4) atoms to form distorted OLi3Mn3 octahedra that share  a cornercorner with one O(3)Li3Mn3 octahedra, corners with two equivalent O(4)Li3Mn3 octahedra, corners with two equivalent O(9)Li3Mn3 octahedra,  a cornercorner with one O(2)Li2Mn3 trigonal bipyramid, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(6)Li3Mn3 octahedra, edges with three equivalent O(4)Li3Mn3 octahedra, edges with three equivalent O(9)Li3Mn3 octahedra, and edges with two equivalent O(5)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 4-5°. In the second O site, O(2) is bonded to two equivalent Li(2), one Mn(1), and two equivalent Mn(3) atoms to form distorted OLi2Mn3 trigonal bipyramids that share  a cornercorner with one O(1)Li3Mn3 octahedra, corners with two equivalent O(6)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with three equivalent O(6)Li3Mn3 octahedra, and edges with two equivalent O(2)Li2Mn3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 4-12°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(3), one Mn(2), and two equivalent Mn(5) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra, corners with two equivalent O(8)Li2Mn3 square pyramids, corners with four equivalent O(5)Li2Mn3 square pyramids, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(9)Li3Mn3 octahedra,  an edgeedge with one O(5)Li2Mn3 square pyramid, and edges with three equivalent O(8)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Li(4), one Mn(4), and two equivalent Mn(1) atoms to form OLi3Mn3 octahedra that share corners with two equivalent O(1)Li3Mn3 octahedra, corners with two equivalent O(6)Li3Mn3 octahedra,  a cornercorner with one O(5)Li2Mn3 square pyramid, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(9)Li3Mn3 octahedra, edges with three equivalent O(1)Li3Mn3 octahedra, edges with three equivalent O(6)Li3Mn3 octahedra, and edges with two equivalent O(2)Li2Mn3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 4°. In the fifth O site, O(5) is bonded to two equivalent Li(1), one Mn(4), and two equivalent Mn(5) atoms to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(4)Li3Mn3 octahedra, corners with two equivalent O(9)Li3Mn3 octahedra, corners with four equivalent O(3)Li3Mn3 octahedra, corners with two equivalent O(8)Li2Mn3 square pyramids,  an edgeedge with one O(3)Li3Mn3 octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, edges with three equivalent O(9)Li3Mn3 octahedra, and edges with two equivalent O(5)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 4-80°. In the sixth O site, O(6) is bonded to one Li(4), two equivalent Li(2), one Mn(3), and two equivalent Mn(1) atoms to form distorted OLi3Mn3 octahedra that share  a cornercorner with one O(9)Li3Mn3 octahedra, corners with two equivalent O(4)Li3Mn3 octahedra, corners with two equivalent O(2)Li2Mn3 trigonal bipyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(6)Li3Mn3 octahedra, edges with three equivalent O(4)Li3Mn3 octahedra, and edges with three equivalent O(2)Li2Mn3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-4°. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(3), and two equivalent Mn(2) atoms. In the eighth O site, O(8) is bonded to two equivalent Li(3), one Mn(5), and two equivalent Mn(2) atoms to form OLi2Mn3 square pyramids that share  a cornercorner with one O(9)Li3Mn3 octahedra, corners with two equivalent O(3)Li3Mn3 octahedra, corners with two equivalent O(5)Li2Mn3 square pyramids, edges with three equivalent O(3)Li3Mn3 octahedra, and edges with two equivalent O(8)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 1-17°. In the ninth O site, O(9) is bonded to one Li(4), two equivalent Li(1), one Mn(5), and two equivalent Mn(4) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(6)Li3Mn3 octahedra, corners with two equivalent O(1)Li3Mn3 octahedra,  a cornercorner with one O(8)Li2Mn3 square pyramid, corners with two equivalent O(5)Li2Mn3 square pyramids, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(9)Li3Mn3 octahedra, edges with three equivalent O(1)Li3Mn3 octahedra, and edges with three equivalent O(5)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 2-5°. F(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(2), and two equivalent Mn(3) atoms. is represented by the CIF card [CIF]
data_Li4Mn5O9F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.134
_cell_length_b   5.134
_cell_length_c   13.984
_cell_angle_alpha   78.233
_cell_angle_beta   78.233
_cell_angle_gamma   32.779
_symmetry_Int_Tables_number   1
_cell_volume   195.018
_cell_formula_units_Z   1
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  0.803  0.803  0.394  1.0
  Li  Li1  1  0.608  0.608  0.796  1.0
  Li  Li2  1  0.384  0.384  0.186  1.0
  Li  Li3  1  0.210  0.210  0.602  1.0
  Mn  Mn4  1  0.910  0.910  0.700  1.0
  Mn  Mn5  1  0.668  0.668  0.103  1.0
  Mn  Mn6  1  0.329  0.329  0.909  1.0
  Mn  Mn7  1  0.511  0.511  0.505  1.0
  Mn  Mn8  1  0.093  0.093  0.304  1.0
  O  O9  1  0.877  0.877  0.558  1.0
  O  O10  1  0.953  0.953  0.826  1.0
  O  O11  1  0.727  0.727  0.261  1.0
  O  O12  1  0.544  0.544  0.657  1.0
  O  O13  1  0.462  0.462  0.357  1.0
  O  O14  1  0.277  0.277  0.732  1.0
  O  O15  1  0.298  0.298  0.061  1.0
  O  O16  1  0.040  0.040  0.157  1.0
  O  O17  1  0.145  0.145  0.464  1.0
  F  F18  1  0.662  0.662  0.927  1.0
[/CIF]
.