The material described by LiMn3OF5 crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(2), one F(3), one F(4), one F(5), and one F(9) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one F(1), one F(2), one F(6), and one F(8) atom. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one F(1), one F(10), one F(2), one F(3), and one F(5) atom to form a mixture of distorted edge and corner-sharing MnOF5 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. In the second Mn site, Mn(2) is bonded to one O(1), one F(1), one F(10), one F(5), one F(8), and one F(9) atom to form a mixture of distorted edge and corner-sharing MnOF5 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 51-59°. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(2), one F(2), one F(3), one F(4), one F(6), and one F(7) atom. In the fourth Mn site, Mn(4) is bonded to one O(1), one F(1), one F(3), one F(5), one F(6), and one F(7) atom to form a mixture of distorted edge and corner-sharing MnOF5 octahedra. The corner-sharing octahedral tilt angles range from 53-57°. In the fifth Mn site, Mn(5) is bonded to one O(1), one F(4), one F(6), one F(7), one F(8), and one F(9) atom to form a mixture of distorted edge and corner-sharing MnOF5 octahedra. The corner-sharing octahedral tilt angles are 53°. In the sixth Mn site, Mn(6) is bonded to one O(2), one F(10), one F(2), one F(4), one F(8), and one F(9) atom to form a mixture of distorted edge and corner-sharing MnOF5 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Mn(2), one Mn(4), and one Mn(5) atom to form OLiMn3 tetrahedra that share  a cornercorner with one F(4)LiMn3 tetrahedra, corners with two equivalent F(5)LiMn3 tetrahedra,  a cornercorner with one F(1)LiMn3 trigonal pyramid,  a cornercorner with one F(2)LiMn3 trigonal pyramid,  a cornercorner with one F(3)LiMn3 trigonal pyramid,  a cornercorner with one F(6)LiMn3 trigonal pyramid,  an edgeedge with one F(1)LiMn3 trigonal pyramid,  an edgeedge with one F(6)LiMn3 trigonal pyramid, and  an edgeedge with one F(9)LiMn3 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Mn(1), one Mn(3), and one Mn(6) atom to form OLiMn3 tetrahedra that share  a cornercorner with one F(4)LiMn3 tetrahedra, corners with two equivalent F(5)LiMn3 tetrahedra,  a cornercorner with one F(1)LiMn3 trigonal pyramid,  a cornercorner with one F(2)LiMn3 trigonal pyramid,  a cornercorner with one F(3)LiMn3 trigonal pyramid,  a cornercorner with one F(6)LiMn3 trigonal pyramid,  an edgeedge with one F(4)LiMn3 tetrahedra,  an edgeedge with one F(2)LiMn3 trigonal pyramid,  an edgeedge with one F(3)LiMn3 trigonal pyramid, and  an edgeedge with one F(9)LiMn3 trigonal pyramid. There are ten inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), one Mn(1), one Mn(2), and one Mn(4) atom to form distorted FLiMn3 trigonal pyramids that share  a cornercorner with one O(1)LiMn3 tetrahedra,  a cornercorner with one O(2)LiMn3 tetrahedra,  a cornercorner with one F(5)LiMn3 tetrahedra,  a cornercorner with one F(9)LiMn3 trigonal pyramid, corners with two equivalent F(2)LiMn3 trigonal pyramids, corners with two equivalent F(3)LiMn3 trigonal pyramids,  an edgeedge with one O(1)LiMn3 tetrahedra,  an edgeedge with one F(5)LiMn3 tetrahedra, and  an edgeedge with one F(6)LiMn3 trigonal pyramid. In the second F site, F(2) is bonded to one Li(2), one Mn(1), one Mn(3), and one Mn(6) atom to form distorted FLiMn3 trigonal pyramids that share  a cornercorner with one O(1)LiMn3 tetrahedra,  a cornercorner with one O(2)LiMn3 tetrahedra,  a cornercorner with one F(5)LiMn3 tetrahedra, corners with two equivalent F(4)LiMn3 tetrahedra,  a cornercorner with one F(9)LiMn3 trigonal pyramid, corners with two equivalent F(1)LiMn3 trigonal pyramids, corners with two equivalent F(6)LiMn3 trigonal pyramids,  an edgeedge with one O(2)LiMn3 tetrahedra, and  an edgeedge with one F(3)LiMn3 trigonal pyramid. In the third F site, F(3) is bonded to one Li(1), one Mn(1), one Mn(3), and one Mn(4) atom to form FLiMn3 trigonal pyramids that share  a cornercorner with one O(1)LiMn3 tetrahedra,  a cornercorner with one O(2)LiMn3 tetrahedra,  a cornercorner with one F(5)LiMn3 tetrahedra, corners with two equivalent F(4)LiMn3 tetrahedra,  a cornercorner with one F(9)LiMn3 trigonal pyramid, corners with two equivalent F(1)LiMn3 trigonal pyramids, corners with two equivalent F(6)LiMn3 trigonal pyramids,  an edgeedge with one O(2)LiMn3 tetrahedra,  an edgeedge with one F(5)LiMn3 tetrahedra, and  an edgeedge with one F(2)LiMn3 trigonal pyramid. In the fourth F site, F(4) is bonded to one Li(1), one Mn(3), one Mn(5), and one Mn(6) atom to form distorted FLiMn3 tetrahedra that share  a cornercorner with one O(1)LiMn3 tetrahedra,  a cornercorner with one O(2)LiMn3 tetrahedra,  a cornercorner with one F(5)LiMn3 tetrahedra,  a cornercorner with one F(9)LiMn3 trigonal pyramid, corners with two equivalent F(2)LiMn3 trigonal pyramids, corners with two equivalent F(3)LiMn3 trigonal pyramids,  an edgeedge with one O(2)LiMn3 tetrahedra,  an edgeedge with one F(6)LiMn3 trigonal pyramid, and  an edgeedge with one F(9)LiMn3 trigonal pyramid. In the fifth F site, F(5) is bonded to one Li(1), one Mn(1), one Mn(2), and one Mn(4) atom to form FLiMn3 tetrahedra that share  a cornercorner with one F(4)LiMn3 tetrahedra, corners with two equivalent O(1)LiMn3 tetrahedra, corners with two equivalent O(2)LiMn3 tetrahedra,  a cornercorner with one F(1)LiMn3 trigonal pyramid,  a cornercorner with one F(2)LiMn3 trigonal pyramid,  a cornercorner with one F(3)LiMn3 trigonal pyramid,  a cornercorner with one F(6)LiMn3 trigonal pyramid, corners with two equivalent F(9)LiMn3 trigonal pyramids,  an edgeedge with one F(1)LiMn3 trigonal pyramid, and  an edgeedge with one F(3)LiMn3 trigonal pyramid. In the sixth F site, F(6) is bonded to one Li(2), one Mn(3), one Mn(4), and one Mn(5) atom to form FLiMn3 trigonal pyramids that share  a cornercorner with one O(1)LiMn3 tetrahedra,  a cornercorner with one O(2)LiMn3 tetrahedra,  a cornercorner with one F(5)LiMn3 tetrahedra,  a cornercorner with one F(9)LiMn3 trigonal pyramid, corners with two equivalent F(2)LiMn3 trigonal pyramids, corners with two equivalent F(3)LiMn3 trigonal pyramids,  an edgeedge with one O(1)LiMn3 tetrahedra,  an edgeedge with one F(4)LiMn3 tetrahedra, and  an edgeedge with one F(1)LiMn3 trigonal pyramid. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the eighth F site, F(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(2), one Mn(5), and one Mn(6) atom. In the ninth F site, F(9) is bonded to one Li(1), one Mn(2), one Mn(5), and one Mn(6) atom to form FLiMn3 trigonal pyramids that share  a cornercorner with one F(4)LiMn3 tetrahedra, corners with two equivalent F(5)LiMn3 tetrahedra,  a cornercorner with one F(1)LiMn3 trigonal pyramid,  a cornercorner with one F(2)LiMn3 trigonal pyramid,  a cornercorner with one F(3)LiMn3 trigonal pyramid,  a cornercorner with one F(6)LiMn3 trigonal pyramid,  an edgeedge with one O(1)LiMn3 tetrahedra,  an edgeedge with one O(2)LiMn3 tetrahedra, and  an edgeedge with one F(4)LiMn3 tetrahedra. In the tenth F site, F(10) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. is represented by the CIF card [CIF]
data_LiMn3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.738
_cell_length_b   8.738
_cell_length_c   10.141
_cell_angle_alpha   55.390
_cell_angle_beta   55.390
_cell_angle_gamma   71.235
_symmetry_Int_Tables_number   1
_cell_volume   524.531
_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  0.493  0.024  0.471  1.0
  Li  Li1  1  0.020  0.523  0.456  1.0
  Li  Li2  1  0.024  0.493  0.971  1.0
  Li  Li3  1  0.523  0.020  0.956  1.0
  Mn  Mn4  1  0.245  0.257  0.723  1.0
  Mn  Mn5  1  0.952  0.044  0.750  1.0
  Mn  Mn6  1  0.528  0.452  0.251  1.0
  Mn  Mn7  1  0.778  0.269  0.480  1.0
  Mn  Mn8  1  0.269  0.778  0.980  1.0
  Mn  Mn9  1  0.257  0.245  0.223  1.0
  Mn  Mn10  1  0.747  0.768  0.783  1.0
  Mn  Mn11  1  0.217  0.701  0.547  1.0
  Mn  Mn12  1  0.701  0.217  0.047  1.0
  Mn  Mn13  1  0.044  0.952  0.250  1.0
  Mn  Mn14  1  0.452  0.528  0.751  1.0
  Mn  Mn15  1  0.768  0.747  0.283  1.0
  O  O16  1  0.036  0.739  0.222  1.0
  O  O17  1  0.739  0.036  0.722  1.0
  O  O18  1  0.242  0.462  0.760  1.0
  O  O19  1  0.462  0.242  0.260  1.0
  F  F20  1  0.284  0.047  0.959  1.0
  F  F21  1  0.263  0.508  0.448  1.0
  F  F22  1  0.522  0.222  0.518  1.0
  F  F23  1  0.785  0.479  0.978  1.0
  F  F24  1  0.997  0.215  0.245  1.0
  F  F25  1  0.215  0.997  0.745  1.0
  F  F26  1  0.488  0.723  0.052  1.0
  F  F27  1  0.047  0.284  0.459  1.0
  F  F28  1  0.745  0.529  0.251  1.0
  F  F29  1  0.529  0.745  0.751  1.0
  F  F30  1  0.951  0.734  0.547  1.0
  F  F31  1  0.774  0.020  0.268  1.0
  F  F32  1  0.020  0.774  0.768  1.0
  F  F33  1  0.508  0.263  0.948  1.0
  F  F34  1  0.222  0.522  0.018  1.0
  F  F35  1  0.479  0.785  0.478  1.0
  F  F36  1  0.264  0.953  0.292  1.0
  F  F37  1  0.953  0.264  0.792  1.0
  F  F38  1  0.723  0.488  0.552  1.0
  F  F39  1  0.734  0.951  0.047  1.0
[/CIF]
.
The material described by LiMn3OF5 crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(2), one F(3), one F(4), one F(5), and one F(9) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one F(1), one F(2), one F(6), and one F(8) atom. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one F(1), one F(10), one F(2), one F(3), and one F(5) atom to form a mixture of distorted edge and corner-sharing MnOF5 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. In the second Mn site, Mn(2) is bonded to one O(1), one F(1), one F(10), one F(5), one F(8), and one F(9) atom to form a mixture of distorted edge and corner-sharing MnOF5 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 51-59°. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(2), one F(2), one F(3), one F(4), one F(6), and one F(7) atom. In the fourth Mn site, Mn(4) is bonded to one O(1), one F(1), one F(3), one F(5), one F(6), and one F(7) atom to form a mixture of distorted edge and corner-sharing MnOF5 octahedra. The corner-sharing octahedral tilt angles range from 53-57°. In the fifth Mn site, Mn(5) is bonded to one O(1), one F(4), one F(6), one F(7), one F(8), and one F(9) atom to form a mixture of distorted edge and corner-sharing MnOF5 octahedra. The corner-sharing octahedral tilt angles are 53°. In the sixth Mn site, Mn(6) is bonded to one O(2), one F(10), one F(2), one F(4), one F(8), and one F(9) atom to form a mixture of distorted edge and corner-sharing MnOF5 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Mn(2), one Mn(4), and one Mn(5) atom to form OLiMn3 tetrahedra that share  a cornercorner with one F(4)LiMn3 tetrahedra, corners with two equivalent F(5)LiMn3 tetrahedra,  a cornercorner with one F(1)LiMn3 trigonal pyramid,  a cornercorner with one F(2)LiMn3 trigonal pyramid,  a cornercorner with one F(3)LiMn3 trigonal pyramid,  a cornercorner with one F(6)LiMn3 trigonal pyramid,  an edgeedge with one F(1)LiMn3 trigonal pyramid,  an edgeedge with one F(6)LiMn3 trigonal pyramid, and  an edgeedge with one F(9)LiMn3 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Mn(1), one Mn(3), and one Mn(6) atom to form OLiMn3 tetrahedra that share  a cornercorner with one F(4)LiMn3 tetrahedra, corners with two equivalent F(5)LiMn3 tetrahedra,  a cornercorner with one F(1)LiMn3 trigonal pyramid,  a cornercorner with one F(2)LiMn3 trigonal pyramid,  a cornercorner with one F(3)LiMn3 trigonal pyramid,  a cornercorner with one F(6)LiMn3 trigonal pyramid,  an edgeedge with one F(4)LiMn3 tetrahedra,  an edgeedge with one F(2)LiMn3 trigonal pyramid,  an edgeedge with one F(3)LiMn3 trigonal pyramid, and  an edgeedge with one F(9)LiMn3 trigonal pyramid. There are ten inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), one Mn(1), one Mn(2), and one Mn(4) atom to form distorted FLiMn3 trigonal pyramids that share  a cornercorner with one O(1)LiMn3 tetrahedra,  a cornercorner with one O(2)LiMn3 tetrahedra,  a cornercorner with one F(5)LiMn3 tetrahedra,  a cornercorner with one F(9)LiMn3 trigonal pyramid, corners with two equivalent F(2)LiMn3 trigonal pyramids, corners with two equivalent F(3)LiMn3 trigonal pyramids,  an edgeedge with one O(1)LiMn3 tetrahedra,  an edgeedge with one F(5)LiMn3 tetrahedra, and  an edgeedge with one F(6)LiMn3 trigonal pyramid. In the second F site, F(2) is bonded to one Li(2), one Mn(1), one Mn(3), and one Mn(6) atom to form distorted FLiMn3 trigonal pyramids that share  a cornercorner with one O(1)LiMn3 tetrahedra,  a cornercorner with one O(2)LiMn3 tetrahedra,  a cornercorner with one F(5)LiMn3 tetrahedra, corners with two equivalent F(4)LiMn3 tetrahedra,  a cornercorner with one F(9)LiMn3 trigonal pyramid, corners with two equivalent F(1)LiMn3 trigonal pyramids, corners with two equivalent F(6)LiMn3 trigonal pyramids,  an edgeedge with one O(2)LiMn3 tetrahedra, and  an edgeedge with one F(3)LiMn3 trigonal pyramid. In the third F site, F(3) is bonded to one Li(1), one Mn(1), one Mn(3), and one Mn(4) atom to form FLiMn3 trigonal pyramids that share  a cornercorner with one O(1)LiMn3 tetrahedra,  a cornercorner with one O(2)LiMn3 tetrahedra,  a cornercorner with one F(5)LiMn3 tetrahedra, corners with two equivalent F(4)LiMn3 tetrahedra,  a cornercorner with one F(9)LiMn3 trigonal pyramid, corners with two equivalent F(1)LiMn3 trigonal pyramids, corners with two equivalent F(6)LiMn3 trigonal pyramids,  an edgeedge with one O(2)LiMn3 tetrahedra,  an edgeedge with one F(5)LiMn3 tetrahedra, and  an edgeedge with one F(2)LiMn3 trigonal pyramid. In the fourth F site, F(4) is bonded to one Li(1), one Mn(3), one Mn(5), and one Mn(6) atom to form distorted FLiMn3 tetrahedra that share  a cornercorner with one O(1)LiMn3 tetrahedra,  a cornercorner with one O(2)LiMn3 tetrahedra,  a cornercorner with one F(5)LiMn3 tetrahedra,  a cornercorner with one F(9)LiMn3 trigonal pyramid, corners with two equivalent F(2)LiMn3 trigonal pyramids, corners with two equivalent F(3)LiMn3 trigonal pyramids,  an edgeedge with one O(2)LiMn3 tetrahedra,  an edgeedge with one F(6)LiMn3 trigonal pyramid, and  an edgeedge with one F(9)LiMn3 trigonal pyramid. In the fifth F site, F(5) is bonded to one Li(1), one Mn(1), one Mn(2), and one Mn(4) atom to form FLiMn3 tetrahedra that share  a cornercorner with one F(4)LiMn3 tetrahedra, corners with two equivalent O(1)LiMn3 tetrahedra, corners with two equivalent O(2)LiMn3 tetrahedra,  a cornercorner with one F(1)LiMn3 trigonal pyramid,  a cornercorner with one F(2)LiMn3 trigonal pyramid,  a cornercorner with one F(3)LiMn3 trigonal pyramid,  a cornercorner with one F(6)LiMn3 trigonal pyramid, corners with two equivalent F(9)LiMn3 trigonal pyramids,  an edgeedge with one F(1)LiMn3 trigonal pyramid, and  an edgeedge with one F(3)LiMn3 trigonal pyramid. In the sixth F site, F(6) is bonded to one Li(2), one Mn(3), one Mn(4), and one Mn(5) atom to form FLiMn3 trigonal pyramids that share  a cornercorner with one O(1)LiMn3 tetrahedra,  a cornercorner with one O(2)LiMn3 tetrahedra,  a cornercorner with one F(5)LiMn3 tetrahedra,  a cornercorner with one F(9)LiMn3 trigonal pyramid, corners with two equivalent F(2)LiMn3 trigonal pyramids, corners with two equivalent F(3)LiMn3 trigonal pyramids,  an edgeedge with one O(1)LiMn3 tetrahedra,  an edgeedge with one F(4)LiMn3 tetrahedra, and  an edgeedge with one F(1)LiMn3 trigonal pyramid. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the eighth F site, F(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(2), one Mn(5), and one Mn(6) atom. In the ninth F site, F(9) is bonded to one Li(1), one Mn(2), one Mn(5), and one Mn(6) atom to form FLiMn3 trigonal pyramids that share  a cornercorner with one F(4)LiMn3 tetrahedra, corners with two equivalent F(5)LiMn3 tetrahedra,  a cornercorner with one F(1)LiMn3 trigonal pyramid,  a cornercorner with one F(2)LiMn3 trigonal pyramid,  a cornercorner with one F(3)LiMn3 trigonal pyramid,  a cornercorner with one F(6)LiMn3 trigonal pyramid,  an edgeedge with one O(1)LiMn3 tetrahedra,  an edgeedge with one O(2)LiMn3 tetrahedra, and  an edgeedge with one F(4)LiMn3 tetrahedra. In the tenth F site, F(10) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. is represented by the CIF card [CIF]
data_LiMn3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.738
_cell_length_b   8.738
_cell_length_c   10.141
_cell_angle_alpha   55.390
_cell_angle_beta   55.390
_cell_angle_gamma   71.235
_symmetry_Int_Tables_number   1
_cell_volume   524.531
_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  0.493  0.024  0.471  1.0
  Li  Li1  1  0.020  0.523  0.456  1.0
  Li  Li2  1  0.024  0.493  0.971  1.0
  Li  Li3  1  0.523  0.020  0.956  1.0
  Mn  Mn4  1  0.245  0.257  0.723  1.0
  Mn  Mn5  1  0.952  0.044  0.750  1.0
  Mn  Mn6  1  0.528  0.452  0.251  1.0
  Mn  Mn7  1  0.778  0.269  0.480  1.0
  Mn  Mn8  1  0.269  0.778  0.980  1.0
  Mn  Mn9  1  0.257  0.245  0.223  1.0
  Mn  Mn10  1  0.747  0.768  0.783  1.0
  Mn  Mn11  1  0.217  0.701  0.547  1.0
  Mn  Mn12  1  0.701  0.217  0.047  1.0
  Mn  Mn13  1  0.044  0.952  0.250  1.0
  Mn  Mn14  1  0.452  0.528  0.751  1.0
  Mn  Mn15  1  0.768  0.747  0.283  1.0
  O  O16  1  0.036  0.739  0.222  1.0
  O  O17  1  0.739  0.036  0.722  1.0
  O  O18  1  0.242  0.462  0.760  1.0
  O  O19  1  0.462  0.242  0.260  1.0
  F  F20  1  0.284  0.047  0.959  1.0
  F  F21  1  0.263  0.508  0.448  1.0
  F  F22  1  0.522  0.222  0.518  1.0
  F  F23  1  0.785  0.479  0.978  1.0
  F  F24  1  0.997  0.215  0.245  1.0
  F  F25  1  0.215  0.997  0.745  1.0
  F  F26  1  0.488  0.723  0.052  1.0
  F  F27  1  0.047  0.284  0.459  1.0
  F  F28  1  0.745  0.529  0.251  1.0
  F  F29  1  0.529  0.745  0.751  1.0
  F  F30  1  0.951  0.734  0.547  1.0
  F  F31  1  0.774  0.020  0.268  1.0
  F  F32  1  0.020  0.774  0.768  1.0
  F  F33  1  0.508  0.263  0.948  1.0
  F  F34  1  0.222  0.522  0.018  1.0
  F  F35  1  0.479  0.785  0.478  1.0
  F  F36  1  0.264  0.953  0.292  1.0
  F  F37  1  0.953  0.264  0.792  1.0
  F  F38  1  0.723  0.488  0.552  1.0
  F  F39  1  0.734  0.951  0.047  1.0
[/CIF]
.