The compound described by MgFe6O11F crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(4), one O(6), one O(7), one O(9), and one F(1) atom to form MgO5F octahedra that share corners with two equivalent Fe(6)O5 square pyramids,  a cornercorner with one Fe(2)O5 trigonal bipyramid,  an edgeedge with one Fe(4)O5F octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Fe(5)O5F octahedra, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(11), one O(4), one O(5), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(6)O5 square pyramids, corners with two equivalent Fe(2)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Fe(4)O5F octahedra, and  an edgeedge with one Fe(5)O5F octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(4), one O(6), and one O(7) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(5)O5F octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Mg(1)O5F octahedra, and  an edgeedge with one Fe(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 47-56°. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(5), one O(6), and one O(8) atom. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(11), one O(3), one O(6), one O(8), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(6)O5 square pyramids, corners with two equivalent Fe(2)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Fe(5)O5F octahedra, and  an edgeedge with one Fe(1)O6 octahedra. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(2), one O(7), one O(8), one O(9), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(6)O5 square pyramids, corners with two equivalent Fe(2)O5 trigonal bipyramids,  an edgeedge with one Fe(4)O5F octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Mg(1)O5F octahedra. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(2), one O(3), one O(5), and one O(7) atom to form FeO5 square pyramids that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(5)O5F octahedra, corners with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-58°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(5) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(3), one Fe(5), and one Fe(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Fe(1), one Fe(2), and one Fe(3) atom to form a mixture of distorted corner and edge-sharing OMgFe3 trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(6) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Fe(2), one Fe(3), and one Fe(4) atom to form a mixture of distorted corner and edge-sharing OMgFe3 trigonal pyramids. In the seventh O site, O(7) is bonded to one Mg(1), one Fe(2), one Fe(5), and one Fe(6) atom to form a mixture of corner and edge-sharing OMgFe3 trigonal pyramids. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(5) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Fe(1), and one Fe(5) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(4), and one Fe(6) atom. In the eleventh O site, O(11) is bonded in a water-like geometry to one Fe(1) and one Fe(4) atom. F(1) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(4), and one Fe(5) atom. is represented by the CIF card [CIF]
data_MgFe6O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.101
_cell_length_b   5.905
_cell_length_c   5.746
_cell_angle_alpha   81.638
_cell_angle_beta   74.227
_cell_angle_gamma   68.981
_symmetry_Int_Tables_number   1
_cell_volume   216.140
_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  0.490  0.508  0.001  1.0
  Fe  Fe1  1  0.840  0.666  0.683  1.0
  Fe  Fe2  1  0.665  0.258  0.417  1.0
  Fe  Fe3  1  0.328  0.739  0.577  1.0
  Fe  Fe4  1  0.148  0.325  0.366  1.0
  Fe  Fe5  1  0.507  0.995  0.002  1.0
  Fe  Fe6  1  1.000  0.058  0.961  1.0
  O  O7  1  0.651  0.993  0.650  1.0
  O  O8  1  0.298  0.875  0.913  1.0
  O  O9  1  0.960  0.204  0.261  1.0
  O  O10  1  0.602  0.523  0.627  1.0
  O  O11  1  0.035  0.816  0.748  1.0
  O  O12  1  0.375  0.465  0.376  1.0
  O  O13  1  0.694  0.154  0.081  1.0
  O  O14  1  0.349  0.005  0.348  1.0
  O  O15  1  0.693  0.667  0.006  1.0
  O  O16  1  0.009  0.330  0.713  1.0
  O  O17  1  0.972  0.649  0.360  1.0
  F  F18  1  0.301  0.343  0.981  1.0
[/CIF]
.
The compound described by MgFe6O11F crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(4), one O(6), one O(7), one O(9), and one F(1) atom to form MgO5F octahedra that share corners with two equivalent Fe(6)O5 square pyramids,  a cornercorner with one Fe(2)O5 trigonal bipyramid,  an edgeedge with one Fe(4)O5F octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Fe(5)O5F octahedra, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(11), one O(4), one O(5), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(6)O5 square pyramids, corners with two equivalent Fe(2)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Fe(4)O5F octahedra, and  an edgeedge with one Fe(5)O5F octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(4), one O(6), and one O(7) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(5)O5F octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Mg(1)O5F octahedra, and  an edgeedge with one Fe(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 47-56°. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(5), one O(6), and one O(8) atom. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(11), one O(3), one O(6), one O(8), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(6)O5 square pyramids, corners with two equivalent Fe(2)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Fe(5)O5F octahedra, and  an edgeedge with one Fe(1)O6 octahedra. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(2), one O(7), one O(8), one O(9), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(6)O5 square pyramids, corners with two equivalent Fe(2)O5 trigonal bipyramids,  an edgeedge with one Fe(4)O5F octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Mg(1)O5F octahedra. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(2), one O(3), one O(5), and one O(7) atom to form FeO5 square pyramids that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(5)O5F octahedra, corners with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-58°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(5) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(3), one Fe(5), and one Fe(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Fe(1), one Fe(2), and one Fe(3) atom to form a mixture of distorted corner and edge-sharing OMgFe3 trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(6) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Fe(2), one Fe(3), and one Fe(4) atom to form a mixture of distorted corner and edge-sharing OMgFe3 trigonal pyramids. In the seventh O site, O(7) is bonded to one Mg(1), one Fe(2), one Fe(5), and one Fe(6) atom to form a mixture of corner and edge-sharing OMgFe3 trigonal pyramids. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(5) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Fe(1), and one Fe(5) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(4), and one Fe(6) atom. In the eleventh O site, O(11) is bonded in a water-like geometry to one Fe(1) and one Fe(4) atom. F(1) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(4), and one Fe(5) atom. is represented by the CIF card [CIF]
data_MgFe6O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.101
_cell_length_b   5.905
_cell_length_c   5.746
_cell_angle_alpha   81.638
_cell_angle_beta   74.227
_cell_angle_gamma   68.981
_symmetry_Int_Tables_number   1
_cell_volume   216.140
_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  0.490  0.508  0.001  1.0
  Fe  Fe1  1  0.840  0.666  0.683  1.0
  Fe  Fe2  1  0.665  0.258  0.417  1.0
  Fe  Fe3  1  0.328  0.739  0.577  1.0
  Fe  Fe4  1  0.148  0.325  0.366  1.0
  Fe  Fe5  1  0.507  0.995  0.002  1.0
  Fe  Fe6  1  1.000  0.058  0.961  1.0
  O  O7  1  0.651  0.993  0.650  1.0
  O  O8  1  0.298  0.875  0.913  1.0
  O  O9  1  0.960  0.204  0.261  1.0
  O  O10  1  0.602  0.523  0.627  1.0
  O  O11  1  0.035  0.816  0.748  1.0
  O  O12  1  0.375  0.465  0.376  1.0
  O  O13  1  0.694  0.154  0.081  1.0
  O  O14  1  0.349  0.005  0.348  1.0
  O  O15  1  0.693  0.667  0.006  1.0
  O  O16  1  0.009  0.330  0.713  1.0
  O  O17  1  0.972  0.649  0.360  1.0
  F  F18  1  0.301  0.343  0.981  1.0
[/CIF]
.