The compound described by MgFe4O7F crystallizes in the triclinic P1 space group. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(4), and one O(6) atom. 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), and one O(7) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O5F octahedra, corners with two equivalent Fe(4)O4F square pyramids, and  an edgeedge with one Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles are 66°. 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 three equivalent Fe(4)O4F square pyramids,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and one O(7) atom. In the fourth Fe site, Fe(4) is bonded to one O(3), one O(4), one O(5), one O(6), and one F(1) atom to form distorted FeO4F square pyramids that share corners with three equivalent Fe(2)O5F octahedra and corners with two equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-51°. There are seven 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 distorted T-shaped geometry to one Mg(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(2), one Fe(3), and one Fe(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(2), one Fe(3), and one Fe(4) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(3) atom. F(1) is bonded in a bent 150 degrees geometry to one Fe(2) and one Fe(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe4O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.314
_cell_length_b   5.319
_cell_length_c   6.002
_cell_angle_alpha   94.241
_cell_angle_beta   85.753
_cell_angle_gamma   105.935
_symmetry_Int_Tables_number   1
_cell_volume   162.455
_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  0.293  0.710  0.486  1.0
  Fe  Fe1  1  0.021  0.980  0.019  1.0
  Fe  Fe2  1  0.967  0.034  0.493  1.0
  Fe  Fe3  1  0.597  0.404  0.243  1.0
  Fe  Fe4  1  0.549  0.452  0.763  1.0
  O  O5  1  0.148  0.855  0.261  1.0
  O  O6  1  0.118  0.884  0.721  1.0
  O  O7  1  0.332  0.288  0.012  1.0
  O  O8  1  0.299  0.336  0.507  1.0
  O  O9  1  0.715  0.668  0.011  1.0
  O  O10  1  0.666  0.701  0.507  1.0
  O  O11  1  0.822  0.177  0.247  1.0
  F  F12  1  0.779  0.219  0.731  1.0
[/CIF]
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The compound described by MgFe4O7F crystallizes in the triclinic P1 space group. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(4), and one O(6) atom. 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), and one O(7) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O5F octahedra, corners with two equivalent Fe(4)O4F square pyramids, and  an edgeedge with one Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles are 66°. 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 three equivalent Fe(4)O4F square pyramids,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and one O(7) atom. In the fourth Fe site, Fe(4) is bonded to one O(3), one O(4), one O(5), one O(6), and one F(1) atom to form distorted FeO4F square pyramids that share corners with three equivalent Fe(2)O5F octahedra and corners with two equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-51°. There are seven 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 distorted T-shaped geometry to one Mg(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(2), one Fe(3), and one Fe(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(2), one Fe(3), and one Fe(4) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(3) atom. F(1) is bonded in a bent 150 degrees geometry to one Fe(2) and one Fe(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe4O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.314
_cell_length_b   5.319
_cell_length_c   6.002
_cell_angle_alpha   94.241
_cell_angle_beta   85.753
_cell_angle_gamma   105.935
_symmetry_Int_Tables_number   1
_cell_volume   162.455
_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  0.293  0.710  0.486  1.0
  Fe  Fe1  1  0.021  0.980  0.019  1.0
  Fe  Fe2  1  0.967  0.034  0.493  1.0
  Fe  Fe3  1  0.597  0.404  0.243  1.0
  Fe  Fe4  1  0.549  0.452  0.763  1.0
  O  O5  1  0.148  0.855  0.261  1.0
  O  O6  1  0.118  0.884  0.721  1.0
  O  O7  1  0.332  0.288  0.012  1.0
  O  O8  1  0.299  0.336  0.507  1.0
  O  O9  1  0.715  0.668  0.011  1.0
  O  O10  1  0.666  0.701  0.507  1.0
  O  O11  1  0.822  0.177  0.247  1.0
  F  F12  1  0.779  0.219  0.731  1.0
[/CIF]
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