The material structure described by MgFe4O7F crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one F(1) atom to form MgO5F octahedra that share corners with four equivalent Fe(2)O5F octahedra,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid,  an edgeedge with one Fe(3)O5 trigonal bipyramid,  an edgeedge with one Fe(4)O5 trigonal bipyramid, and faces with two equivalent Fe(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 40-48°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one F(1) atom to form FeO5F octahedra that share corners with three equivalent Fe(3)O5 trigonal bipyramids, corners with three equivalent Fe(4)O5 trigonal bipyramids, edges with two equivalent Fe(2)O5F octahedra, and faces with two equivalent Mg(1)O5F octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one F(1) atom to form FeO5F octahedra that share corners with four equivalent Mg(1)O5F octahedra, corners with three equivalent Fe(3)O5 trigonal bipyramids, corners with three equivalent Fe(4)O5 trigonal bipyramids, and edges with two equivalent Fe(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 40-48°. In the third Fe site, Fe(3) is bonded to one O(3), one O(4), one O(5), 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 three equivalent Fe(1)O5F octahedra, corners with three equivalent Fe(2)O5F octahedra,  an edgeedge with one Mg(1)O5F octahedra, and edges with two equivalent Fe(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 36-71°. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O5F octahedra, corners with three equivalent Fe(1)O5F octahedra, corners with three equivalent Fe(2)O5F octahedra,  an edgeedge with one Mg(1)O5F octahedra, and edges with two equivalent Fe(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-68°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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 distorted rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Fe(4) atom. In the third O site, O(3) is bonded to one Mg(1), one Fe(1), one Fe(3), and one Fe(4) atom to form a mixture of distorted corner and edge-sharing OMgFe3 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Fe(1), one Fe(3), and one Fe(4) atom to form a mixture of distorted corner and edge-sharing OMgFe3 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted 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 rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Fe(3) atom. F(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(1), and one Fe(2) atom. is represented by the CIF file [CIF]
data_MgFe4O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.187
_cell_length_b   5.103
_cell_length_c   5.789
_cell_angle_alpha   89.263
_cell_angle_beta   92.687
_cell_angle_gamma   99.192
_symmetry_Int_Tables_number   1
_cell_volume   151.084
_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  0.002  0.505  0.999  1.0
  Fe  Fe1  1  0.009  1.000  0.995  1.0
  Fe  Fe2  1  0.008  0.984  0.484  1.0
  Fe  Fe3  1  0.553  0.428  0.255  1.0
  Fe  Fe4  1  0.448  0.561  0.727  1.0
  O  O5  1  0.135  0.798  0.239  1.0
  O  O6  1  0.158  0.785  0.754  1.0
  O  O7  1  0.307  0.319  0.983  1.0
  O  O8  1  0.319  0.295  0.500  1.0
  O  O9  1  0.687  0.685  0.981  1.0
  O  O10  1  0.671  0.707  0.495  1.0
  O  O11  1  0.838  0.215  0.223  1.0
  F  F12  1  0.851  0.205  0.740  1.0
[/CIF]
.
The material structure described by MgFe4O7F crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one F(1) atom to form MgO5F octahedra that share corners with four equivalent Fe(2)O5F octahedra,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid,  an edgeedge with one Fe(3)O5 trigonal bipyramid,  an edgeedge with one Fe(4)O5 trigonal bipyramid, and faces with two equivalent Fe(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 40-48°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one F(1) atom to form FeO5F octahedra that share corners with three equivalent Fe(3)O5 trigonal bipyramids, corners with three equivalent Fe(4)O5 trigonal bipyramids, edges with two equivalent Fe(2)O5F octahedra, and faces with two equivalent Mg(1)O5F octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one F(1) atom to form FeO5F octahedra that share corners with four equivalent Mg(1)O5F octahedra, corners with three equivalent Fe(3)O5 trigonal bipyramids, corners with three equivalent Fe(4)O5 trigonal bipyramids, and edges with two equivalent Fe(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 40-48°. In the third Fe site, Fe(3) is bonded to one O(3), one O(4), one O(5), 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 three equivalent Fe(1)O5F octahedra, corners with three equivalent Fe(2)O5F octahedra,  an edgeedge with one Mg(1)O5F octahedra, and edges with two equivalent Fe(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 36-71°. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O5F octahedra, corners with three equivalent Fe(1)O5F octahedra, corners with three equivalent Fe(2)O5F octahedra,  an edgeedge with one Mg(1)O5F octahedra, and edges with two equivalent Fe(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-68°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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 distorted rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Fe(4) atom. In the third O site, O(3) is bonded to one Mg(1), one Fe(1), one Fe(3), and one Fe(4) atom to form a mixture of distorted corner and edge-sharing OMgFe3 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Fe(1), one Fe(3), and one Fe(4) atom to form a mixture of distorted corner and edge-sharing OMgFe3 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted 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 rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Fe(3) atom. F(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(1), and one Fe(2) atom. is represented by the CIF file [CIF]
data_MgFe4O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.187
_cell_length_b   5.103
_cell_length_c   5.789
_cell_angle_alpha   89.263
_cell_angle_beta   92.687
_cell_angle_gamma   99.192
_symmetry_Int_Tables_number   1
_cell_volume   151.084
_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  0.002  0.505  0.999  1.0
  Fe  Fe1  1  0.009  1.000  0.995  1.0
  Fe  Fe2  1  0.008  0.984  0.484  1.0
  Fe  Fe3  1  0.553  0.428  0.255  1.0
  Fe  Fe4  1  0.448  0.561  0.727  1.0
  O  O5  1  0.135  0.798  0.239  1.0
  O  O6  1  0.158  0.785  0.754  1.0
  O  O7  1  0.307  0.319  0.983  1.0
  O  O8  1  0.319  0.295  0.500  1.0
  O  O9  1  0.687  0.685  0.981  1.0
  O  O10  1  0.671  0.707  0.495  1.0
  O  O11  1  0.838  0.215  0.223  1.0
  F  F12  1  0.851  0.205  0.740  1.0
[/CIF]
.