The material described by MgFe6O11F crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(11), one O(3), one O(5), one O(9), and one F(1) atom to form MgO5F octahedra that share  a cornercorner with one Fe(4)O5F octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(5)O5F octahedra,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Fe(3)O5 square pyramid,  a cornercorner with one Fe(6)O5 square pyramid,  an edgeedge with one Fe(6)O5 square pyramid,  a faceface with one Fe(4)O5F octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-50°. 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 distorted FeO6 octahedra that share  a cornercorner with one Mg(1)O5F octahedra, corners with two equivalent Fe(2)O5 square pyramids, corners with two equivalent Fe(3)O5 square pyramids, corners with two equivalent Fe(6)O5 square pyramids,  an edgeedge with one Fe(4)O5F octahedra,  an edgeedge with one Fe(5)O5F octahedra, and  a faceface with one Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles are 50°. 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 square pyramids 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 Fe(3)O5 square pyramid, and  an edgeedge with one Fe(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 45-72°. In the third Fe site, Fe(3) is bonded to one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form distorted FeO5 square pyramids 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 Fe(2)O5 square pyramid, and  an edgeedge with one Fe(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 46-66°. 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 distorted FeO5F octahedra that share  a cornercorner with one Mg(1)O5F octahedra, corners with two equivalent Fe(2)O5 square pyramids, corners with two equivalent Fe(3)O5 square pyramids, corners with two equivalent Fe(6)O5 square pyramids,  an edgeedge with one Fe(5)O5F octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  a faceface with one Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles are 50°. 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 Mg(1)O5F octahedra, corners with two equivalent Fe(2)O5 square pyramids, corners with two equivalent Fe(3)O5 square pyramids, corners with two equivalent Fe(6)O5 square pyramids,  an edgeedge with one Fe(4)O5F octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-49°. 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  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,  an edgeedge with one Fe(2)O5 square pyramid, and  an edgeedge with one Fe(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 38-79°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Fe(2), one Fe(4), and one Fe(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), one Fe(3), and one Fe(6) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(6) atom. 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 T-shaped 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 see-saw-like geometry to one Mg(1), one Fe(1), one Fe(4), and one Fe(6) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(1), and one Fe(4) atom. F(1) is bonded in a T-shaped geometry to one Mg(1), one Fe(4), and one Fe(5) atom. is represented by the CIF file [CIF]
data_MgFe6O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.279
_cell_length_b   5.916
_cell_length_c   5.742
_cell_angle_alpha   80.611
_cell_angle_beta   71.672
_cell_angle_gamma   69.633
_symmetry_Int_Tables_number   1
_cell_volume   219.647
_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  0.982  0.528  0.027  1.0
  Fe  Fe1  1  0.811  0.670  0.645  1.0
  Fe  Fe2  1  0.661  0.270  0.391  1.0
  Fe  Fe3  1  0.339  0.730  0.604  1.0
  Fe  Fe4  1  0.178  0.316  0.396  1.0
  Fe  Fe5  1  0.500  0.996  0.999  1.0
  Fe  Fe6  1  0.996  0.043  0.967  1.0
  O  O7  1  0.657  0.006  0.643  1.0
  O  O8  1  0.288  0.918  0.889  1.0
  O  O9  1  0.953  0.224  0.242  1.0
  O  O10  1  0.627  0.546  0.560  1.0
  O  O11  1  0.042  0.790  0.767  1.0
  O  O12  1  0.375  0.438  0.444  1.0
  O  O13  1  0.706  0.104  0.100  1.0
  O  O14  1  0.345  0.986  0.347  1.0
  O  O15  1  0.690  0.667  0.983  1.0
  O  O16  1  0.997  0.342  0.730  1.0
  O  O17  1  0.991  0.647  0.332  1.0
  F  F18  1  0.296  0.352  0.007  1.0
[/CIF]
.
The material described by MgFe6O11F crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(11), one O(3), one O(5), one O(9), and one F(1) atom to form MgO5F octahedra that share  a cornercorner with one Fe(4)O5F octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(5)O5F octahedra,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Fe(3)O5 square pyramid,  a cornercorner with one Fe(6)O5 square pyramid,  an edgeedge with one Fe(6)O5 square pyramid,  a faceface with one Fe(4)O5F octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-50°. 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 distorted FeO6 octahedra that share  a cornercorner with one Mg(1)O5F octahedra, corners with two equivalent Fe(2)O5 square pyramids, corners with two equivalent Fe(3)O5 square pyramids, corners with two equivalent Fe(6)O5 square pyramids,  an edgeedge with one Fe(4)O5F octahedra,  an edgeedge with one Fe(5)O5F octahedra, and  a faceface with one Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles are 50°. 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 square pyramids 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 Fe(3)O5 square pyramid, and  an edgeedge with one Fe(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 45-72°. In the third Fe site, Fe(3) is bonded to one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form distorted FeO5 square pyramids 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 Fe(2)O5 square pyramid, and  an edgeedge with one Fe(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 46-66°. 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 distorted FeO5F octahedra that share  a cornercorner with one Mg(1)O5F octahedra, corners with two equivalent Fe(2)O5 square pyramids, corners with two equivalent Fe(3)O5 square pyramids, corners with two equivalent Fe(6)O5 square pyramids,  an edgeedge with one Fe(5)O5F octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  a faceface with one Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles are 50°. 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 Mg(1)O5F octahedra, corners with two equivalent Fe(2)O5 square pyramids, corners with two equivalent Fe(3)O5 square pyramids, corners with two equivalent Fe(6)O5 square pyramids,  an edgeedge with one Fe(4)O5F octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-49°. 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  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,  an edgeedge with one Fe(2)O5 square pyramid, and  an edgeedge with one Fe(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 38-79°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Fe(2), one Fe(4), and one Fe(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), one Fe(3), and one Fe(6) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(6) atom. 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 T-shaped 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 see-saw-like geometry to one Mg(1), one Fe(1), one Fe(4), and one Fe(6) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(1), and one Fe(4) atom. F(1) is bonded in a T-shaped geometry to one Mg(1), one Fe(4), and one Fe(5) atom. is represented by the CIF file [CIF]
data_MgFe6O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.279
_cell_length_b   5.916
_cell_length_c   5.742
_cell_angle_alpha   80.611
_cell_angle_beta   71.672
_cell_angle_gamma   69.633
_symmetry_Int_Tables_number   1
_cell_volume   219.647
_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  0.982  0.528  0.027  1.0
  Fe  Fe1  1  0.811  0.670  0.645  1.0
  Fe  Fe2  1  0.661  0.270  0.391  1.0
  Fe  Fe3  1  0.339  0.730  0.604  1.0
  Fe  Fe4  1  0.178  0.316  0.396  1.0
  Fe  Fe5  1  0.500  0.996  0.999  1.0
  Fe  Fe6  1  0.996  0.043  0.967  1.0
  O  O7  1  0.657  0.006  0.643  1.0
  O  O8  1  0.288  0.918  0.889  1.0
  O  O9  1  0.953  0.224  0.242  1.0
  O  O10  1  0.627  0.546  0.560  1.0
  O  O11  1  0.042  0.790  0.767  1.0
  O  O12  1  0.375  0.438  0.444  1.0
  O  O13  1  0.706  0.104  0.100  1.0
  O  O14  1  0.345  0.986  0.347  1.0
  O  O15  1  0.690  0.667  0.983  1.0
  O  O16  1  0.997  0.342  0.730  1.0
  O  O17  1  0.991  0.647  0.332  1.0
  F  F18  1  0.296  0.352  0.007  1.0
[/CIF]
.