The structure described by MgFe6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one O(4), one O(5), one O(6), one F(1), and one F(4) atom. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), one O(5), one F(2), one F(3), and one F(5) atom to form FeO3F3 octahedra that share corners with two equivalent Fe(6)O3F3 octahedra,  a cornercorner with one Fe(5)O3F2 trigonal bipyramid,  an edgeedge with one Fe(3)O4F2 octahedra, and  an edgeedge with one Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles are 49°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one F(3) atom to form FeO5F octahedra that share corners with four equivalent Fe(6)O3F3 octahedra, corners with two equivalent Fe(5)O3F2 trigonal bipyramids,  an edgeedge with one Fe(1)O3F3 octahedra, and  an edgeedge with one Fe(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 40-59°. In the third Fe site, Fe(3) is bonded to one O(2), one O(4), one O(5), one O(6), one F(1), and one F(4) atom to form distorted FeO4F2 octahedra that share corners with two equivalent Fe(6)O3F3 octahedra, corners with four equivalent Fe(5)O3F2 trigonal bipyramids,  an edgeedge with one Fe(1)O3F3 octahedra, and  an edgeedge with one Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the fourth Fe site, Fe(4) is bonded in a 6-coordinate geometry to one O(3), one O(5), one O(7), one F(1), one F(2), and one F(5) atom. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(4), one O(6), one F(1), and one F(4) atom to form distorted FeO3F2 trigonal bipyramids that share  a cornercorner with one Fe(1)O3F3 octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with four equivalent Fe(3)O4F2 octahedra, and  an edgeedge with one Fe(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 36-70°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(2), one O(7), one F(2), one F(3), and one F(4) atom to form FeO3F3 octahedra that share corners with two equivalent Fe(1)O3F3 octahedra, corners with two equivalent Fe(3)O4F2 octahedra, corners with four equivalent Fe(2)O5F octahedra, and  an edgeedge with one Fe(5)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-59°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(6) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(3), and one Fe(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Fe(1), one Fe(3), and one Fe(5) atom to form distorted OMgFe3 trigonal pyramids that share  a cornercorner with one F(1)MgFe3 trigonal pyramid and  an edgeedge with one F(1)MgFe3 trigonal pyramid. 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(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(2), one Fe(3), and one Fe(5) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded to one Mg(1), one Fe(3), one Fe(4), and one Fe(5) atom to form distorted FMgFe3 trigonal pyramids that share  a cornercorner with one O(4)MgFe3 trigonal pyramid and  an edgeedge with one O(4)MgFe3 trigonal pyramid. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(4), and one Fe(6) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(6) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(3), one Fe(5), and one Fe(6) atom. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Fe(1) and one Fe(4) atom. is represented by the CIF card [CIF]
data_MgFe6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.895
_cell_length_b   7.952
_cell_length_c   5.701
_cell_angle_alpha   96.013
_cell_angle_beta   93.669
_cell_angle_gamma   85.725
_symmetry_Int_Tables_number   1
_cell_volume   219.699
_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  0.015  0.386  0.882  1.0
  Fe  Fe1  1  0.525  0.656  0.169  1.0
  Fe  Fe2  1  0.504  0.003  0.518  1.0
  Fe  Fe3  1  0.506  0.335  0.833  1.0
  Fe  Fe4  1  0.053  0.702  0.633  1.0
  Fe  Fe5  1  0.940  0.284  0.359  1.0
  Fe  Fe6  1  0.968  0.992  0.987  1.0
  O  O7  1  0.762  0.085  0.269  1.0
  O  O8  1  0.736  0.118  0.772  1.0
  O  O9  1  0.712  0.772  0.448  1.0
  O  O10  1  0.744  0.437  0.126  1.0
  O  O11  1  0.277  0.566  0.883  1.0
  O  O12  1  0.247  0.232  0.567  1.0
  O  O13  1  0.219  0.905  0.724  1.0
  F  F14  1  0.789  0.459  0.614  1.0
  F  F15  1  0.790  0.769  0.942  1.0
  F  F16  1  0.279  0.889  0.212  1.0
  F  F17  1  0.194  0.214  0.073  1.0
  F  F18  1  0.240  0.570  0.371  1.0
[/CIF]
.
The structure described by MgFe6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one O(4), one O(5), one O(6), one F(1), and one F(4) atom. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), one O(5), one F(2), one F(3), and one F(5) atom to form FeO3F3 octahedra that share corners with two equivalent Fe(6)O3F3 octahedra,  a cornercorner with one Fe(5)O3F2 trigonal bipyramid,  an edgeedge with one Fe(3)O4F2 octahedra, and  an edgeedge with one Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles are 49°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one F(3) atom to form FeO5F octahedra that share corners with four equivalent Fe(6)O3F3 octahedra, corners with two equivalent Fe(5)O3F2 trigonal bipyramids,  an edgeedge with one Fe(1)O3F3 octahedra, and  an edgeedge with one Fe(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 40-59°. In the third Fe site, Fe(3) is bonded to one O(2), one O(4), one O(5), one O(6), one F(1), and one F(4) atom to form distorted FeO4F2 octahedra that share corners with two equivalent Fe(6)O3F3 octahedra, corners with four equivalent Fe(5)O3F2 trigonal bipyramids,  an edgeedge with one Fe(1)O3F3 octahedra, and  an edgeedge with one Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the fourth Fe site, Fe(4) is bonded in a 6-coordinate geometry to one O(3), one O(5), one O(7), one F(1), one F(2), and one F(5) atom. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(4), one O(6), one F(1), and one F(4) atom to form distorted FeO3F2 trigonal bipyramids that share  a cornercorner with one Fe(1)O3F3 octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with four equivalent Fe(3)O4F2 octahedra, and  an edgeedge with one Fe(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 36-70°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(2), one O(7), one F(2), one F(3), and one F(4) atom to form FeO3F3 octahedra that share corners with two equivalent Fe(1)O3F3 octahedra, corners with two equivalent Fe(3)O4F2 octahedra, corners with four equivalent Fe(2)O5F octahedra, and  an edgeedge with one Fe(5)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-59°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(6) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(3), and one Fe(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Fe(1), one Fe(3), and one Fe(5) atom to form distorted OMgFe3 trigonal pyramids that share  a cornercorner with one F(1)MgFe3 trigonal pyramid and  an edgeedge with one F(1)MgFe3 trigonal pyramid. 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(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(2), one Fe(3), and one Fe(5) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded to one Mg(1), one Fe(3), one Fe(4), and one Fe(5) atom to form distorted FMgFe3 trigonal pyramids that share  a cornercorner with one O(4)MgFe3 trigonal pyramid and  an edgeedge with one O(4)MgFe3 trigonal pyramid. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(4), and one Fe(6) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(6) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(3), one Fe(5), and one Fe(6) atom. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Fe(1) and one Fe(4) atom. is represented by the CIF card [CIF]
data_MgFe6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.895
_cell_length_b   7.952
_cell_length_c   5.701
_cell_angle_alpha   96.013
_cell_angle_beta   93.669
_cell_angle_gamma   85.725
_symmetry_Int_Tables_number   1
_cell_volume   219.699
_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  0.015  0.386  0.882  1.0
  Fe  Fe1  1  0.525  0.656  0.169  1.0
  Fe  Fe2  1  0.504  0.003  0.518  1.0
  Fe  Fe3  1  0.506  0.335  0.833  1.0
  Fe  Fe4  1  0.053  0.702  0.633  1.0
  Fe  Fe5  1  0.940  0.284  0.359  1.0
  Fe  Fe6  1  0.968  0.992  0.987  1.0
  O  O7  1  0.762  0.085  0.269  1.0
  O  O8  1  0.736  0.118  0.772  1.0
  O  O9  1  0.712  0.772  0.448  1.0
  O  O10  1  0.744  0.437  0.126  1.0
  O  O11  1  0.277  0.566  0.883  1.0
  O  O12  1  0.247  0.232  0.567  1.0
  O  O13  1  0.219  0.905  0.724  1.0
  F  F14  1  0.789  0.459  0.614  1.0
  F  F15  1  0.790  0.769  0.942  1.0
  F  F16  1  0.279  0.889  0.212  1.0
  F  F17  1  0.194  0.214  0.073  1.0
  F  F18  1  0.240  0.570  0.371  1.0
[/CIF]
.