The material described by Li3Mn8(OF3)4 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one F(5), one F(6), one F(7), and one F(8) atom to form LiO2F4 octahedra that share  an edgeedge with one Mn(5)O2F4 octahedra,  an edgeedge with one Mn(6)O2F4 octahedra,  an edgeedge with one Mn(7)O2F4 octahedra,  an edgeedge with one Mn(8)O2F4 octahedra,  an edgeedge with one Mn(1)OF5 octahedra,  an edgeedge with one Mn(4)OF5 octahedra, edges with two equivalent Mn(2)O4F2 octahedra, and edges with two equivalent Mn(3)O4F2 octahedra. In the second Li site, Li(2) is bonded to one F(1), one F(10), one F(4), and one F(9) atom to form LiF4 tetrahedra that share  a cornercorner with one Mn(7)O2F4 octahedra,  a cornercorner with one Mn(8)O2F4 octahedra,  a cornercorner with one Mn(1)OF5 octahedra, corners with two equivalent Mn(5)O2F4 octahedra, corners with two equivalent Mn(6)O2F4 octahedra, and corners with two equivalent Mn(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 52-61°. In the third Li site, Li(3) is bonded to one F(11), one F(12), one F(2), and one F(3) atom to form LiF4 tetrahedra that share  a cornercorner with one Mn(5)O2F4 octahedra,  a cornercorner with one Mn(6)O2F4 octahedra,  a cornercorner with one Mn(4)OF5 octahedra, corners with two equivalent Mn(7)O2F4 octahedra, corners with two equivalent Mn(8)O2F4 octahedra, and corners with two equivalent Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 52-61°. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(4), one F(11), one F(12), one F(4), one F(7), and one F(8) atom to form MnOF5 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra, corners with two equivalent Li(3)F4 tetrahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, edges with two equivalent Mn(7)O2F4 octahedra, and edges with two equivalent Mn(8)O2F4 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one F(6), and one F(8) atom to form MnO4F2 octahedra that share corners with three equivalent Mn(6)O2F4 octahedra, corners with three equivalent Mn(8)O2F4 octahedra,  an edgeedge with one Mn(5)O2F4 octahedra,  an edgeedge with one Mn(7)O2F4 octahedra,  an edgeedge with one Mn(1)OF5 octahedra,  an edgeedge with one Mn(4)OF5 octahedra, edges with two equivalent Li(1)O2F4 octahedra, and edges with two equivalent Mn(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one O(4), one F(5), and one F(7) atom to form MnO4F2 octahedra that share corners with three equivalent Mn(5)O2F4 octahedra, corners with three equivalent Mn(7)O2F4 octahedra,  an edgeedge with one Mn(6)O2F4 octahedra,  an edgeedge with one Mn(8)O2F4 octahedra,  an edgeedge with one Mn(1)OF5 octahedra,  an edgeedge with one Mn(4)OF5 octahedra, edges with two equivalent Li(1)O2F4 octahedra, and edges with two equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the fourth Mn site, Mn(4) is bonded to one O(3), one F(10), one F(3), one F(5), one F(6), and one F(9) atom to form MnOF5 octahedra that share  a cornercorner with one Li(3)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, edges with two equivalent Mn(5)O2F4 octahedra, and edges with two equivalent Mn(6)O2F4 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(3), one F(1), one F(3), one F(5), and one F(9) atom to form MnO2F4 octahedra that share corners with three equivalent Mn(3)O4F2 octahedra,  a cornercorner with one Li(3)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra, edges with two equivalent Mn(6)O2F4 octahedra, and edges with two equivalent Mn(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(3), one F(1), one F(10), one F(3), and one F(6) atom to form MnO2F4 octahedra that share corners with three equivalent Mn(2)O4F2 octahedra,  a cornercorner with one Li(3)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, edges with two equivalent Mn(5)O2F4 octahedra, and edges with two equivalent Mn(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the seventh Mn site, Mn(7) is bonded to one O(2), one O(4), one F(11), one F(2), one F(4), and one F(7) atom to form MnO2F4 octahedra that share corners with three equivalent Mn(3)O4F2 octahedra,  a cornercorner with one Li(2)F4 tetrahedra, corners with two equivalent Li(3)F4 tetrahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra, edges with two equivalent Mn(8)O2F4 octahedra, and edges with two equivalent Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the eighth Mn site, Mn(8) is bonded to one O(2), one O(4), one F(12), one F(2), one F(4), and one F(8) atom to form MnO2F4 octahedra that share corners with three equivalent Mn(2)O4F2 octahedra,  a cornercorner with one Li(2)F4 tetrahedra, corners with two equivalent Li(3)F4 tetrahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, edges with two equivalent Mn(7)O2F4 octahedra, and edges with two equivalent Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mn(2), one Mn(3), one Mn(5), and one Mn(6) atom to form OLiMn4 square pyramids that share corners with three equivalent O(2)LiMn4 square pyramids,  an edgeedge with one O(4)Mn5 square pyramid, edges with two equivalent O(3)Mn5 square pyramids, and  an edgeedge with one F(3)LiMn3 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Mn(2), one Mn(3), one Mn(7), and one Mn(8) atom to form OLiMn4 square pyramids that share corners with three equivalent O(1)LiMn4 square pyramids,  an edgeedge with one O(3)Mn5 square pyramid, edges with two equivalent O(4)Mn5 square pyramids, and  an edgeedge with one F(4)LiMn3 trigonal pyramid. In the third O site, O(3) is bonded to one Mn(2), one Mn(3), one Mn(4), one Mn(5), and one Mn(6) atom to form OMn5 square pyramids that share corners with two equivalent O(4)Mn5 square pyramids, corners with three equivalent F(3)LiMn3 trigonal pyramids,  an edgeedge with one O(2)LiMn4 square pyramid, and edges with two equivalent O(1)LiMn4 square pyramids. In the fourth O site, O(4) is bonded to one Mn(1), one Mn(2), one Mn(3), one Mn(7), and one Mn(8) atom to form OMn5 square pyramids that share corners with two equivalent O(3)Mn5 square pyramids, corners with three equivalent F(4)LiMn3 trigonal pyramids,  an edgeedge with one O(1)LiMn4 square pyramid, and edges with two equivalent O(2)LiMn4 square pyramids. There are twelve inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(5), and one Mn(6) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(7), and one Mn(8) atom. In the third F site, F(3) is bonded to one Li(3), one Mn(4), one Mn(5), and one Mn(6) atom to form distorted FLiMn3 trigonal pyramids that share corners with three equivalent O(3)Mn5 square pyramids and  an edgeedge with one O(1)LiMn4 square pyramid. In the fourth F site, F(4) is bonded to one Li(2), one Mn(1), one Mn(7), and one Mn(8) atom to form distorted FLiMn3 trigonal pyramids that share corners with three equivalent O(4)Mn5 square pyramids and  an edgeedge with one O(2)LiMn4 square pyramid. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(3), one Mn(4), and one Mn(5) atom. In the sixth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), one Mn(4), and one Mn(6) atom. In the seventh F site, F(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(3), and one Mn(7) atom. In the eighth F site, F(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(8) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(4), and one Mn(5) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(4), and one Mn(6) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(1), and one Mn(7) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(1), and one Mn(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Mn8(OF3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.199
_cell_length_b   6.397
_cell_length_c   10.368
_cell_angle_alpha   89.005
_cell_angle_beta   107.351
_cell_angle_gamma   118.943
_symmetry_Int_Tables_number   1
_cell_volume   339.436
_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  1.000  1.000  1.000  1.0
  Li  Li1  1  0.613  0.804  0.421  1.0
  Li  Li2  1  0.387  0.196  0.579  1.0
  Mn  Mn3  1  0.987  0.249  0.724  1.0
  Mn  Mn4  1  0.500  0.500  1.000  1.0
  Mn  Mn5  1  1.000  0.500  1.000  1.0
  Mn  Mn6  1  0.015  0.753  0.277  1.0
  Mn  Mn7  1  0.503  0.258  0.248  1.0
  Mn  Mn8  1  0.003  0.258  0.248  1.0
  Mn  Mn9  1  0.496  0.741  0.752  1.0
  Mn  Mn10  1  0.997  0.741  0.752  1.0
  O  O11  1  0.235  0.359  0.113  1.0
  O  O12  1  0.765  0.641  0.887  1.0
  O  O13  1  0.773  0.415  0.132  1.0
  O  O14  1  0.229  0.586  0.869  1.0
  F  F15  1  0.737  0.115  0.358  1.0
  F  F16  1  0.263  0.885  0.642  1.0
  F  F17  1  0.250  0.125  0.376  1.0
  F  F18  1  0.749  0.875  0.624  1.0
  F  F19  1  0.233  0.892  0.134  1.0
  F  F20  1  0.791  0.890  0.134  1.0
  F  F21  1  0.766  0.108  0.866  1.0
  F  F22  1  0.209  0.109  0.866  1.0
  F  F23  1  0.731  0.610  0.371  1.0
  F  F24  1  0.251  0.611  0.370  1.0
  F  F25  1  0.269  0.389  0.629  1.0
  F  F26  1  0.749  0.389  0.629  1.0
[/CIF]
.
The material described by Li3Mn8(OF3)4 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one F(5), one F(6), one F(7), and one F(8) atom to form LiO2F4 octahedra that share  an edgeedge with one Mn(5)O2F4 octahedra,  an edgeedge with one Mn(6)O2F4 octahedra,  an edgeedge with one Mn(7)O2F4 octahedra,  an edgeedge with one Mn(8)O2F4 octahedra,  an edgeedge with one Mn(1)OF5 octahedra,  an edgeedge with one Mn(4)OF5 octahedra, edges with two equivalent Mn(2)O4F2 octahedra, and edges with two equivalent Mn(3)O4F2 octahedra. In the second Li site, Li(2) is bonded to one F(1), one F(10), one F(4), and one F(9) atom to form LiF4 tetrahedra that share  a cornercorner with one Mn(7)O2F4 octahedra,  a cornercorner with one Mn(8)O2F4 octahedra,  a cornercorner with one Mn(1)OF5 octahedra, corners with two equivalent Mn(5)O2F4 octahedra, corners with two equivalent Mn(6)O2F4 octahedra, and corners with two equivalent Mn(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 52-61°. In the third Li site, Li(3) is bonded to one F(11), one F(12), one F(2), and one F(3) atom to form LiF4 tetrahedra that share  a cornercorner with one Mn(5)O2F4 octahedra,  a cornercorner with one Mn(6)O2F4 octahedra,  a cornercorner with one Mn(4)OF5 octahedra, corners with two equivalent Mn(7)O2F4 octahedra, corners with two equivalent Mn(8)O2F4 octahedra, and corners with two equivalent Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 52-61°. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(4), one F(11), one F(12), one F(4), one F(7), and one F(8) atom to form MnOF5 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra, corners with two equivalent Li(3)F4 tetrahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, edges with two equivalent Mn(7)O2F4 octahedra, and edges with two equivalent Mn(8)O2F4 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one F(6), and one F(8) atom to form MnO4F2 octahedra that share corners with three equivalent Mn(6)O2F4 octahedra, corners with three equivalent Mn(8)O2F4 octahedra,  an edgeedge with one Mn(5)O2F4 octahedra,  an edgeedge with one Mn(7)O2F4 octahedra,  an edgeedge with one Mn(1)OF5 octahedra,  an edgeedge with one Mn(4)OF5 octahedra, edges with two equivalent Li(1)O2F4 octahedra, and edges with two equivalent Mn(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one O(4), one F(5), and one F(7) atom to form MnO4F2 octahedra that share corners with three equivalent Mn(5)O2F4 octahedra, corners with three equivalent Mn(7)O2F4 octahedra,  an edgeedge with one Mn(6)O2F4 octahedra,  an edgeedge with one Mn(8)O2F4 octahedra,  an edgeedge with one Mn(1)OF5 octahedra,  an edgeedge with one Mn(4)OF5 octahedra, edges with two equivalent Li(1)O2F4 octahedra, and edges with two equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the fourth Mn site, Mn(4) is bonded to one O(3), one F(10), one F(3), one F(5), one F(6), and one F(9) atom to form MnOF5 octahedra that share  a cornercorner with one Li(3)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, edges with two equivalent Mn(5)O2F4 octahedra, and edges with two equivalent Mn(6)O2F4 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(3), one F(1), one F(3), one F(5), and one F(9) atom to form MnO2F4 octahedra that share corners with three equivalent Mn(3)O4F2 octahedra,  a cornercorner with one Li(3)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra, edges with two equivalent Mn(6)O2F4 octahedra, and edges with two equivalent Mn(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(3), one F(1), one F(10), one F(3), and one F(6) atom to form MnO2F4 octahedra that share corners with three equivalent Mn(2)O4F2 octahedra,  a cornercorner with one Li(3)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, edges with two equivalent Mn(5)O2F4 octahedra, and edges with two equivalent Mn(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the seventh Mn site, Mn(7) is bonded to one O(2), one O(4), one F(11), one F(2), one F(4), and one F(7) atom to form MnO2F4 octahedra that share corners with three equivalent Mn(3)O4F2 octahedra,  a cornercorner with one Li(2)F4 tetrahedra, corners with two equivalent Li(3)F4 tetrahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra, edges with two equivalent Mn(8)O2F4 octahedra, and edges with two equivalent Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the eighth Mn site, Mn(8) is bonded to one O(2), one O(4), one F(12), one F(2), one F(4), and one F(8) atom to form MnO2F4 octahedra that share corners with three equivalent Mn(2)O4F2 octahedra,  a cornercorner with one Li(2)F4 tetrahedra, corners with two equivalent Li(3)F4 tetrahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, edges with two equivalent Mn(7)O2F4 octahedra, and edges with two equivalent Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mn(2), one Mn(3), one Mn(5), and one Mn(6) atom to form OLiMn4 square pyramids that share corners with three equivalent O(2)LiMn4 square pyramids,  an edgeedge with one O(4)Mn5 square pyramid, edges with two equivalent O(3)Mn5 square pyramids, and  an edgeedge with one F(3)LiMn3 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Mn(2), one Mn(3), one Mn(7), and one Mn(8) atom to form OLiMn4 square pyramids that share corners with three equivalent O(1)LiMn4 square pyramids,  an edgeedge with one O(3)Mn5 square pyramid, edges with two equivalent O(4)Mn5 square pyramids, and  an edgeedge with one F(4)LiMn3 trigonal pyramid. In the third O site, O(3) is bonded to one Mn(2), one Mn(3), one Mn(4), one Mn(5), and one Mn(6) atom to form OMn5 square pyramids that share corners with two equivalent O(4)Mn5 square pyramids, corners with three equivalent F(3)LiMn3 trigonal pyramids,  an edgeedge with one O(2)LiMn4 square pyramid, and edges with two equivalent O(1)LiMn4 square pyramids. In the fourth O site, O(4) is bonded to one Mn(1), one Mn(2), one Mn(3), one Mn(7), and one Mn(8) atom to form OMn5 square pyramids that share corners with two equivalent O(3)Mn5 square pyramids, corners with three equivalent F(4)LiMn3 trigonal pyramids,  an edgeedge with one O(1)LiMn4 square pyramid, and edges with two equivalent O(2)LiMn4 square pyramids. There are twelve inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(5), and one Mn(6) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(7), and one Mn(8) atom. In the third F site, F(3) is bonded to one Li(3), one Mn(4), one Mn(5), and one Mn(6) atom to form distorted FLiMn3 trigonal pyramids that share corners with three equivalent O(3)Mn5 square pyramids and  an edgeedge with one O(1)LiMn4 square pyramid. In the fourth F site, F(4) is bonded to one Li(2), one Mn(1), one Mn(7), and one Mn(8) atom to form distorted FLiMn3 trigonal pyramids that share corners with three equivalent O(4)Mn5 square pyramids and  an edgeedge with one O(2)LiMn4 square pyramid. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(3), one Mn(4), and one Mn(5) atom. In the sixth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), one Mn(4), and one Mn(6) atom. In the seventh F site, F(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(3), and one Mn(7) atom. In the eighth F site, F(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(8) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(4), and one Mn(5) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(4), and one Mn(6) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(1), and one Mn(7) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(1), and one Mn(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Mn8(OF3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.199
_cell_length_b   6.397
_cell_length_c   10.368
_cell_angle_alpha   89.005
_cell_angle_beta   107.351
_cell_angle_gamma   118.943
_symmetry_Int_Tables_number   1
_cell_volume   339.436
_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  1.000  1.000  1.000  1.0
  Li  Li1  1  0.613  0.804  0.421  1.0
  Li  Li2  1  0.387  0.196  0.579  1.0
  Mn  Mn3  1  0.987  0.249  0.724  1.0
  Mn  Mn4  1  0.500  0.500  1.000  1.0
  Mn  Mn5  1  1.000  0.500  1.000  1.0
  Mn  Mn6  1  0.015  0.753  0.277  1.0
  Mn  Mn7  1  0.503  0.258  0.248  1.0
  Mn  Mn8  1  0.003  0.258  0.248  1.0
  Mn  Mn9  1  0.496  0.741  0.752  1.0
  Mn  Mn10  1  0.997  0.741  0.752  1.0
  O  O11  1  0.235  0.359  0.113  1.0
  O  O12  1  0.765  0.641  0.887  1.0
  O  O13  1  0.773  0.415  0.132  1.0
  O  O14  1  0.229  0.586  0.869  1.0
  F  F15  1  0.737  0.115  0.358  1.0
  F  F16  1  0.263  0.885  0.642  1.0
  F  F17  1  0.250  0.125  0.376  1.0
  F  F18  1  0.749  0.875  0.624  1.0
  F  F19  1  0.233  0.892  0.134  1.0
  F  F20  1  0.791  0.890  0.134  1.0
  F  F21  1  0.766  0.108  0.866  1.0
  F  F22  1  0.209  0.109  0.866  1.0
  F  F23  1  0.731  0.610  0.371  1.0
  F  F24  1  0.251  0.611  0.370  1.0
  F  F25  1  0.269  0.389  0.629  1.0
  F  F26  1  0.749  0.389  0.629  1.0
[/CIF]
.