The material structure described by MgFe6O11F crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(8) atom to form distorted MgO6 octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra,  a cornercorner with one Fe(4)O5 square pyramid,  a cornercorner with one Fe(6)O5 trigonal bipyramid,  an edgeedge with one Fe(4)O5 square pyramid,  an edgeedge with one Fe(6)O5 trigonal bipyramid, and faces with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-51°. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(3), one O(4), one O(7), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with three equivalent Fe(4)O5 square pyramids, corners with three equivalent Fe(5)O5 trigonal bipyramids,  an edgeedge with one Fe(3)O5F octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-51°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent Fe(4)O5 square pyramids, corners with three equivalent Fe(6)O5 trigonal bipyramids,  an edgeedge with one Fe(1)O5F octahedra,  an edgeedge with one Fe(3)O5F octahedra, and faces with two equivalent Mg(1)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(11), one O(2), one O(3), one O(6), one O(9), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with three equivalent Fe(5)O5 trigonal bipyramids, corners with three equivalent Fe(6)O5 trigonal bipyramids,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-50°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(4), one O(5), one O(7), and one O(8) atom to form distorted FeO5 square pyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with three equivalent Fe(1)O5F octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Fe(5)O5 trigonal bipyramid, and  an edgeedge with one Fe(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-77°. In the fifth Fe site, Fe(5) is bonded to one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form distorted FeO5 trigonal bipyramids that share corners with three equivalent Fe(1)O5F octahedra, corners with three equivalent Fe(3)O5F octahedra,  an edgeedge with one Fe(4)O5 square pyramid, and  an edgeedge with one Fe(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 48-50°. In the sixth Fe site, Fe(6) is bonded to one O(11), one O(5), one O(6), one O(8), and one O(9) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with three equivalent Fe(3)O5F octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Fe(4)O5 square pyramid, and  an edgeedge with one Fe(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-77°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Mg(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1), one Fe(2), and one Fe(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Fe(2), one Fe(4), and one Fe(6) atom to form a mixture of edge and corner-sharing OMgFe3 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom. In the eighth O site, O(8) is bonded to one Mg(1), one Fe(2), one Fe(4), and one Fe(6) atom to form a mixture of distorted edge and corner-sharing OMgFe3 tetrahedra. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Fe(4) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(2), one Fe(3), and one Fe(6) atom. F(1) is bonded in an L-shaped geometry to one Fe(1) and one Fe(3) atom. is represented by the CIF file [CIF]
data_MgFe6O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.059
_cell_length_b   5.118
_cell_length_c   8.688
_cell_angle_alpha   90.007
_cell_angle_beta   89.994
_cell_angle_gamma   98.835
_symmetry_Int_Tables_number   1
_cell_volume   222.280
_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  0.483  0.956  0.337  1.0
  Fe  Fe1  1  0.009  0.996  0.007  1.0
  Fe  Fe2  1  0.997  0.026  0.336  1.0
  Fe  Fe3  1  0.009  0.996  0.667  1.0
  Fe  Fe4  1  0.559  0.450  0.158  1.0
  Fe  Fe5  1  0.429  0.574  0.836  1.0
  Fe  Fe6  1  0.562  0.448  0.516  1.0
  O  O7  1  0.178  0.865  0.186  1.0
  O  O8  1  0.178  0.867  0.487  1.0
  O  O9  1  0.184  0.832  0.837  1.0
  O  O10  1  0.302  0.324  0.006  1.0
  O  O11  1  0.337  0.310  0.336  1.0
  O  O12  1  0.300  0.324  0.669  1.0
  O  O13  1  0.694  0.690  0.004  1.0
  O  O14  1  0.701  0.671  0.336  1.0
  O  O15  1  0.695  0.691  0.671  1.0
  O  O16  1  0.785  0.157  0.181  1.0
  O  O17  1  0.785  0.156  0.492  1.0
  F  F18  1  0.828  0.167  0.837  1.0
[/CIF]
.
The material structure described by MgFe6O11F crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(8) atom to form distorted MgO6 octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra,  a cornercorner with one Fe(4)O5 square pyramid,  a cornercorner with one Fe(6)O5 trigonal bipyramid,  an edgeedge with one Fe(4)O5 square pyramid,  an edgeedge with one Fe(6)O5 trigonal bipyramid, and faces with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-51°. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(3), one O(4), one O(7), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with three equivalent Fe(4)O5 square pyramids, corners with three equivalent Fe(5)O5 trigonal bipyramids,  an edgeedge with one Fe(3)O5F octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-51°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent Fe(4)O5 square pyramids, corners with three equivalent Fe(6)O5 trigonal bipyramids,  an edgeedge with one Fe(1)O5F octahedra,  an edgeedge with one Fe(3)O5F octahedra, and faces with two equivalent Mg(1)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(11), one O(2), one O(3), one O(6), one O(9), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with three equivalent Fe(5)O5 trigonal bipyramids, corners with three equivalent Fe(6)O5 trigonal bipyramids,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-50°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(4), one O(5), one O(7), and one O(8) atom to form distorted FeO5 square pyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with three equivalent Fe(1)O5F octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Fe(5)O5 trigonal bipyramid, and  an edgeedge with one Fe(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-77°. In the fifth Fe site, Fe(5) is bonded to one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form distorted FeO5 trigonal bipyramids that share corners with three equivalent Fe(1)O5F octahedra, corners with three equivalent Fe(3)O5F octahedra,  an edgeedge with one Fe(4)O5 square pyramid, and  an edgeedge with one Fe(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 48-50°. In the sixth Fe site, Fe(6) is bonded to one O(11), one O(5), one O(6), one O(8), and one O(9) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with three equivalent Fe(3)O5F octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Fe(4)O5 square pyramid, and  an edgeedge with one Fe(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-77°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Mg(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1), one Fe(2), and one Fe(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Fe(2), one Fe(4), and one Fe(6) atom to form a mixture of edge and corner-sharing OMgFe3 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom. In the eighth O site, O(8) is bonded to one Mg(1), one Fe(2), one Fe(4), and one Fe(6) atom to form a mixture of distorted edge and corner-sharing OMgFe3 tetrahedra. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Fe(4) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(2), one Fe(3), and one Fe(6) atom. F(1) is bonded in an L-shaped geometry to one Fe(1) and one Fe(3) atom. is represented by the CIF file [CIF]
data_MgFe6O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.059
_cell_length_b   5.118
_cell_length_c   8.688
_cell_angle_alpha   90.007
_cell_angle_beta   89.994
_cell_angle_gamma   98.835
_symmetry_Int_Tables_number   1
_cell_volume   222.280
_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  0.483  0.956  0.337  1.0
  Fe  Fe1  1  0.009  0.996  0.007  1.0
  Fe  Fe2  1  0.997  0.026  0.336  1.0
  Fe  Fe3  1  0.009  0.996  0.667  1.0
  Fe  Fe4  1  0.559  0.450  0.158  1.0
  Fe  Fe5  1  0.429  0.574  0.836  1.0
  Fe  Fe6  1  0.562  0.448  0.516  1.0
  O  O7  1  0.178  0.865  0.186  1.0
  O  O8  1  0.178  0.867  0.487  1.0
  O  O9  1  0.184  0.832  0.837  1.0
  O  O10  1  0.302  0.324  0.006  1.0
  O  O11  1  0.337  0.310  0.336  1.0
  O  O12  1  0.300  0.324  0.669  1.0
  O  O13  1  0.694  0.690  0.004  1.0
  O  O14  1  0.701  0.671  0.336  1.0
  O  O15  1  0.695  0.691  0.671  1.0
  O  O16  1  0.785  0.157  0.181  1.0
  O  O17  1  0.785  0.156  0.492  1.0
  F  F18  1  0.828  0.167  0.837  1.0
[/CIF]
.