The material described by MgFe12(OF)12 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(4), one F(10), two equivalent F(1), and two equivalent F(11) atoms to form distorted MgOF5 octahedra that share corners with two equivalent Fe(3)F6 octahedra, corners with two equivalent Fe(5)O4F2 pentagonal pyramids, edges with two equivalent Mg(1)OF5 octahedra, and  a faceface with one Fe(3)F6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are twelve inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), two equivalent O(12), two equivalent O(2), and one F(9) atom to form FeO5F octahedra that share corners with two equivalent Fe(10)O3F3 octahedra, corners with two equivalent Fe(12)O3F3 octahedra, corners with two equivalent Fe(4)O3F3 octahedra, corners with two equivalent Fe(6)O3F2 square pyramids, and edges with two equivalent Fe(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(3), one O(4), two equivalent O(1), and one F(8) atom. In the third Fe site, Fe(3) is bonded to one F(10), one F(2), two equivalent F(1), and two equivalent F(12) atoms to form distorted FeF6 octahedra that share corners with two equivalent Mg(1)OF5 octahedra, corners with two equivalent Fe(12)O3F3 octahedra, corners with two equivalent Fe(6)O3F2 square pyramids, edges with two equivalent Fe(3)F6 octahedra, and  a faceface with one Mg(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 34-50°. In the fourth Fe site, Fe(4) is bonded to one O(1), two equivalent O(3), one F(5), and two equivalent F(3) atoms to form FeO3F3 octahedra that share corners with two equivalent Fe(7)O3F3 octahedra, corners with two equivalent Fe(8)O4F2 octahedra, corners with two equivalent Fe(1)O5F octahedra,  a cornercorner with one Fe(5)O4F2 pentagonal pyramid, and edges with two equivalent Fe(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(6), two equivalent O(4), and two equivalent F(4) atoms to form distorted FeO4F2 pentagonal pyramids that share  a cornercorner with one Fe(4)O3F3 octahedra, corners with two equivalent Mg(1)OF5 octahedra, corners with two equivalent Fe(7)O3F3 octahedra, corners with two equivalent Fe(9)O3F3 octahedra, and edges with two equivalent Fe(5)O4F2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 42-60°. In the sixth Fe site, Fe(6) is bonded to one O(2), two equivalent O(5), and two equivalent F(2) atoms to form distorted FeO3F2 square pyramids that share corners with two equivalent Fe(3)F6 octahedra, corners with two equivalent Fe(8)O4F2 octahedra, corners with two equivalent Fe(1)O5F octahedra, and edges with two equivalent Fe(6)O3F2 square pyramids. The corner-sharing octahedral tilt angles range from 51-55°. In the seventh Fe site, Fe(7) is bonded to one O(10), two equivalent O(6), one F(3), and two equivalent F(7) atoms to form FeO3F3 octahedra that share corners with two equivalent Fe(10)O3F3 octahedra, corners with two equivalent Fe(4)O3F3 octahedra, corners with two equivalent Fe(5)O4F2 pentagonal pyramids, and edges with two equivalent Fe(7)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the eighth Fe site, Fe(8) is bonded to one O(5), one O(9), two equivalent O(7), and two equivalent F(5) atoms to form FeO4F2 octahedra that share corners with two equivalent Fe(10)O3F3 octahedra, corners with two equivalent Fe(12)O3F3 octahedra, corners with two equivalent Fe(4)O3F3 octahedra, corners with two equivalent Fe(6)O3F2 square pyramids, and edges with two equivalent Fe(8)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. In the ninth Fe site, Fe(9) is bonded to one O(11), two equivalent O(8), one F(4), and two equivalent F(6) atoms to form FeO3F3 octahedra that share corners with two equivalent Fe(12)O3F3 octahedra, corners with two equivalent Fe(5)O4F2 pentagonal pyramids, and edges with two equivalent Fe(9)O3F3 octahedra. The corner-sharing octahedral tilt angles are 53°. In the tenth Fe site, Fe(10) is bonded to one O(12), two equivalent O(9), one F(7), and two equivalent F(8) atoms to form distorted FeO3F3 octahedra that share corners with two equivalent Fe(7)O3F3 octahedra, corners with two equivalent Fe(8)O4F2 octahedra, corners with two equivalent Fe(1)O5F octahedra, and edges with two equivalent Fe(10)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. In the eleventh Fe site, Fe(11) is bonded in a 6-coordinate geometry to one O(8), two equivalent O(10), one F(11), and two equivalent F(10) atoms. In the twelfth Fe site, Fe(12) is bonded to one O(7), two equivalent O(11), one F(12), and two equivalent F(9) atoms to form FeO3F3 octahedra that share corners with two equivalent Fe(3)F6 octahedra, corners with two equivalent Fe(9)O3F3 octahedra, corners with two equivalent Fe(8)O4F2 octahedra, corners with two equivalent Fe(1)O5F octahedra, and edges with two equivalent Fe(12)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Fe(4), one Fe(5), and two equivalent Fe(2) atoms to form OFe4 tetrahedra that share corners with two equivalent O(1)Fe4 tetrahedra, edges with two equivalent O(4)MgFe3 tetrahedra, and edges with two equivalent O(3)Fe4 trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(6) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded to one Fe(1), one Fe(2), and two equivalent Fe(4) atoms to form distorted OFe4 trigonal pyramids that share  a cornercorner with one O(4)MgFe3 tetrahedra, corners with two equivalent O(3)Fe4 trigonal pyramids, and edges with two equivalent O(1)Fe4 tetrahedra. In the fourth O site, O(4) is bonded to one Mg(1), one Fe(2), and two equivalent Fe(5) atoms to form distorted OMgFe3 tetrahedra that share corners with two equivalent O(4)MgFe3 tetrahedra,  a cornercorner with one O(3)Fe4 trigonal pyramid, and edges with two equivalent O(1)Fe4 tetrahedra. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(8) and two equivalent Fe(6) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(7) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(12) and two equivalent Fe(8) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(11) and two equivalent Fe(9) atoms. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(8) and two equivalent Fe(10) atoms. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(7) and two equivalent Fe(11) atoms. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Fe(9) and two equivalent Fe(12) atoms. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Fe(10) and two equivalent Fe(1) atoms. There are twelve inequivalent F sites. In the first F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Fe(3) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(3) and two equivalent Fe(6) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(7) and two equivalent Fe(4) atoms. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Fe(9) and two equivalent Fe(5) atoms. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Fe(4) and two equivalent Fe(8) atoms. In the sixth F site, F(6) is bonded in a water-like geometry to two equivalent Fe(9) atoms. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Fe(10) and two equivalent Fe(7) atoms. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(10) atoms. In the ninth F site, F(9) is bonded in a distorted T-shaped geometry to one Fe(1) and two equivalent Fe(12) atoms. In the tenth F site, F(10) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(3), and two equivalent Fe(11) atoms. In the eleventh F site, F(11) is bonded in a trigonal non-coplanar geometry to two equivalent Mg(1) and one Fe(11) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Fe(12) and two equivalent Fe(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe12(OF)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.935
_cell_length_b   14.380
_cell_length_c   3.118
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.196
_symmetry_Int_Tables_number   1
_cell_volume   443.630
_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
  Mg  Mg0  1  0.992  0.505  0.000  1.0
  Fe  Fe1  1  0.997  0.012  0.000  1.0
  Fe  Fe2  1  0.062  0.267  0.000  1.0
  Fe  Fe3  1  0.971  0.703  0.000  1.0
  Fe  Fe4  1  0.263  0.158  0.500  1.0
  Fe  Fe5  1  0.262  0.424  0.500  1.0
  Fe  Fe6  1  0.233  0.876  0.500  1.0
  Fe  Fe7  1  0.529  0.328  0.000  1.0
  Fe  Fe8  1  0.512  0.993  0.000  1.0
  Fe  Fe9  1  0.489  0.655  0.000  1.0
  Fe  Fe10  1  0.754  0.143  0.500  1.0
  Fe  Fe11  1  0.699  0.507  0.500  1.0
  Fe  Fe12  1  0.699  0.835  0.500  1.0
  O  O13  1  0.188  0.281  0.500  1.0
  O  O14  1  0.081  0.945  0.500  1.0
  O  O15  1  0.155  0.118  0.000  1.0
  O  O16  1  0.140  0.425  0.000  1.0
  O  O17  1  0.339  0.909  0.000  1.0
  O  O18  1  0.436  0.376  0.500  1.0
  O  O19  1  0.587  0.938  0.500  1.0
  O  O20  1  0.579  0.600  0.500  1.0
  O  O21  1  0.652  0.102  0.000  1.0
  O  O22  1  0.664  0.433  0.000  1.0
  O  O23  1  0.623  0.767  0.000  1.0
  O  O24  1  0.909  0.073  0.500  1.0
  F  F25  1  0.047  0.605  0.500  1.0
  F  F26  1  0.146  0.780  0.000  1.0
  F  F27  1  0.397  0.212  0.000  1.0
  F  F28  1  0.350  0.533  0.000  1.0
  F  F29  1  0.403  0.064  0.500  1.0
  F  F30  1  0.382  0.706  0.500  1.0
  F  F31  1  0.631  0.265  0.500  1.0
  F  F32  1  0.863  0.235  0.000  1.0
  F  F33  1  0.824  0.903  0.000  1.0
  F  F34  1  0.829  0.586  0.000  1.0
  F  F35  1  0.895  0.448  0.500  1.0
  F  F36  1  0.870  0.755  0.500  1.0
[/CIF]
.
The material described by MgFe12(OF)12 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(4), one F(10), two equivalent F(1), and two equivalent F(11) atoms to form distorted MgOF5 octahedra that share corners with two equivalent Fe(3)F6 octahedra, corners with two equivalent Fe(5)O4F2 pentagonal pyramids, edges with two equivalent Mg(1)OF5 octahedra, and  a faceface with one Fe(3)F6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are twelve inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), two equivalent O(12), two equivalent O(2), and one F(9) atom to form FeO5F octahedra that share corners with two equivalent Fe(10)O3F3 octahedra, corners with two equivalent Fe(12)O3F3 octahedra, corners with two equivalent Fe(4)O3F3 octahedra, corners with two equivalent Fe(6)O3F2 square pyramids, and edges with two equivalent Fe(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(3), one O(4), two equivalent O(1), and one F(8) atom. In the third Fe site, Fe(3) is bonded to one F(10), one F(2), two equivalent F(1), and two equivalent F(12) atoms to form distorted FeF6 octahedra that share corners with two equivalent Mg(1)OF5 octahedra, corners with two equivalent Fe(12)O3F3 octahedra, corners with two equivalent Fe(6)O3F2 square pyramids, edges with two equivalent Fe(3)F6 octahedra, and  a faceface with one Mg(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 34-50°. In the fourth Fe site, Fe(4) is bonded to one O(1), two equivalent O(3), one F(5), and two equivalent F(3) atoms to form FeO3F3 octahedra that share corners with two equivalent Fe(7)O3F3 octahedra, corners with two equivalent Fe(8)O4F2 octahedra, corners with two equivalent Fe(1)O5F octahedra,  a cornercorner with one Fe(5)O4F2 pentagonal pyramid, and edges with two equivalent Fe(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(6), two equivalent O(4), and two equivalent F(4) atoms to form distorted FeO4F2 pentagonal pyramids that share  a cornercorner with one Fe(4)O3F3 octahedra, corners with two equivalent Mg(1)OF5 octahedra, corners with two equivalent Fe(7)O3F3 octahedra, corners with two equivalent Fe(9)O3F3 octahedra, and edges with two equivalent Fe(5)O4F2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 42-60°. In the sixth Fe site, Fe(6) is bonded to one O(2), two equivalent O(5), and two equivalent F(2) atoms to form distorted FeO3F2 square pyramids that share corners with two equivalent Fe(3)F6 octahedra, corners with two equivalent Fe(8)O4F2 octahedra, corners with two equivalent Fe(1)O5F octahedra, and edges with two equivalent Fe(6)O3F2 square pyramids. The corner-sharing octahedral tilt angles range from 51-55°. In the seventh Fe site, Fe(7) is bonded to one O(10), two equivalent O(6), one F(3), and two equivalent F(7) atoms to form FeO3F3 octahedra that share corners with two equivalent Fe(10)O3F3 octahedra, corners with two equivalent Fe(4)O3F3 octahedra, corners with two equivalent Fe(5)O4F2 pentagonal pyramids, and edges with two equivalent Fe(7)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the eighth Fe site, Fe(8) is bonded to one O(5), one O(9), two equivalent O(7), and two equivalent F(5) atoms to form FeO4F2 octahedra that share corners with two equivalent Fe(10)O3F3 octahedra, corners with two equivalent Fe(12)O3F3 octahedra, corners with two equivalent Fe(4)O3F3 octahedra, corners with two equivalent Fe(6)O3F2 square pyramids, and edges with two equivalent Fe(8)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. In the ninth Fe site, Fe(9) is bonded to one O(11), two equivalent O(8), one F(4), and two equivalent F(6) atoms to form FeO3F3 octahedra that share corners with two equivalent Fe(12)O3F3 octahedra, corners with two equivalent Fe(5)O4F2 pentagonal pyramids, and edges with two equivalent Fe(9)O3F3 octahedra. The corner-sharing octahedral tilt angles are 53°. In the tenth Fe site, Fe(10) is bonded to one O(12), two equivalent O(9), one F(7), and two equivalent F(8) atoms to form distorted FeO3F3 octahedra that share corners with two equivalent Fe(7)O3F3 octahedra, corners with two equivalent Fe(8)O4F2 octahedra, corners with two equivalent Fe(1)O5F octahedra, and edges with two equivalent Fe(10)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. In the eleventh Fe site, Fe(11) is bonded in a 6-coordinate geometry to one O(8), two equivalent O(10), one F(11), and two equivalent F(10) atoms. In the twelfth Fe site, Fe(12) is bonded to one O(7), two equivalent O(11), one F(12), and two equivalent F(9) atoms to form FeO3F3 octahedra that share corners with two equivalent Fe(3)F6 octahedra, corners with two equivalent Fe(9)O3F3 octahedra, corners with two equivalent Fe(8)O4F2 octahedra, corners with two equivalent Fe(1)O5F octahedra, and edges with two equivalent Fe(12)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Fe(4), one Fe(5), and two equivalent Fe(2) atoms to form OFe4 tetrahedra that share corners with two equivalent O(1)Fe4 tetrahedra, edges with two equivalent O(4)MgFe3 tetrahedra, and edges with two equivalent O(3)Fe4 trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(6) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded to one Fe(1), one Fe(2), and two equivalent Fe(4) atoms to form distorted OFe4 trigonal pyramids that share  a cornercorner with one O(4)MgFe3 tetrahedra, corners with two equivalent O(3)Fe4 trigonal pyramids, and edges with two equivalent O(1)Fe4 tetrahedra. In the fourth O site, O(4) is bonded to one Mg(1), one Fe(2), and two equivalent Fe(5) atoms to form distorted OMgFe3 tetrahedra that share corners with two equivalent O(4)MgFe3 tetrahedra,  a cornercorner with one O(3)Fe4 trigonal pyramid, and edges with two equivalent O(1)Fe4 tetrahedra. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(8) and two equivalent Fe(6) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(7) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(12) and two equivalent Fe(8) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(11) and two equivalent Fe(9) atoms. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(8) and two equivalent Fe(10) atoms. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(7) and two equivalent Fe(11) atoms. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Fe(9) and two equivalent Fe(12) atoms. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Fe(10) and two equivalent Fe(1) atoms. There are twelve inequivalent F sites. In the first F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Fe(3) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(3) and two equivalent Fe(6) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(7) and two equivalent Fe(4) atoms. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Fe(9) and two equivalent Fe(5) atoms. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Fe(4) and two equivalent Fe(8) atoms. In the sixth F site, F(6) is bonded in a water-like geometry to two equivalent Fe(9) atoms. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Fe(10) and two equivalent Fe(7) atoms. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(10) atoms. In the ninth F site, F(9) is bonded in a distorted T-shaped geometry to one Fe(1) and two equivalent Fe(12) atoms. In the tenth F site, F(10) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(3), and two equivalent Fe(11) atoms. In the eleventh F site, F(11) is bonded in a trigonal non-coplanar geometry to two equivalent Mg(1) and one Fe(11) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Fe(12) and two equivalent Fe(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe12(OF)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.935
_cell_length_b   14.380
_cell_length_c   3.118
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.196
_symmetry_Int_Tables_number   1
_cell_volume   443.630
_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
  Mg  Mg0  1  0.992  0.505  0.000  1.0
  Fe  Fe1  1  0.997  0.012  0.000  1.0
  Fe  Fe2  1  0.062  0.267  0.000  1.0
  Fe  Fe3  1  0.971  0.703  0.000  1.0
  Fe  Fe4  1  0.263  0.158  0.500  1.0
  Fe  Fe5  1  0.262  0.424  0.500  1.0
  Fe  Fe6  1  0.233  0.876  0.500  1.0
  Fe  Fe7  1  0.529  0.328  0.000  1.0
  Fe  Fe8  1  0.512  0.993  0.000  1.0
  Fe  Fe9  1  0.489  0.655  0.000  1.0
  Fe  Fe10  1  0.754  0.143  0.500  1.0
  Fe  Fe11  1  0.699  0.507  0.500  1.0
  Fe  Fe12  1  0.699  0.835  0.500  1.0
  O  O13  1  0.188  0.281  0.500  1.0
  O  O14  1  0.081  0.945  0.500  1.0
  O  O15  1  0.155  0.118  0.000  1.0
  O  O16  1  0.140  0.425  0.000  1.0
  O  O17  1  0.339  0.909  0.000  1.0
  O  O18  1  0.436  0.376  0.500  1.0
  O  O19  1  0.587  0.938  0.500  1.0
  O  O20  1  0.579  0.600  0.500  1.0
  O  O21  1  0.652  0.102  0.000  1.0
  O  O22  1  0.664  0.433  0.000  1.0
  O  O23  1  0.623  0.767  0.000  1.0
  O  O24  1  0.909  0.073  0.500  1.0
  F  F25  1  0.047  0.605  0.500  1.0
  F  F26  1  0.146  0.780  0.000  1.0
  F  F27  1  0.397  0.212  0.000  1.0
  F  F28  1  0.350  0.533  0.000  1.0
  F  F29  1  0.403  0.064  0.500  1.0
  F  F30  1  0.382  0.706  0.500  1.0
  F  F31  1  0.631  0.265  0.500  1.0
  F  F32  1  0.863  0.235  0.000  1.0
  F  F33  1  0.824  0.903  0.000  1.0
  F  F34  1  0.829  0.586  0.000  1.0
  F  F35  1  0.895  0.448  0.500  1.0
  F  F36  1  0.870  0.755  0.500  1.0
[/CIF]
.