The crystal structure described by MgFe6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(5), one O(6), one F(2), one F(4), and one F(5) atom to form MgO3F3 octahedra that share  a cornercorner with one Fe(5)O4F square pyramid, corners with two equivalent Fe(4)O4F square pyramids,  an edgeedge with one Fe(3)O3F3 octahedra,  an edgeedge with one Fe(6)O3F3 octahedra, edges with two equivalent Fe(2)O3F3 octahedra, and  an edgeedge with one Fe(5)O4F square pyramid. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(6), one O(7), and one F(5) atom. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(6), one F(2), one F(3), and one F(4) atom to form FeO3F3 octahedra that share  a cornercorner with one Fe(4)O4F square pyramid, corners with two equivalent Fe(5)O4F square pyramids,  an edgeedge with one Fe(3)O3F3 octahedra,  an edgeedge with one Fe(6)O3F3 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. In the third Fe site, Fe(3) is bonded to one O(2), one O(4), one O(5), one F(1), one F(2), and one F(3) atom to form FeO3F3 octahedra that share corners with two equivalent Fe(4)O4F square pyramids, corners with three equivalent Fe(5)O4F square pyramids,  an edgeedge with one Mg(1)O3F3 octahedra,  an edgeedge with one Fe(2)O3F3 octahedra, and  an edgeedge with one Fe(6)O3F3 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(3), one O(5), one O(7), and one F(5) atom to form distorted FeO4F square pyramids that share  a cornercorner with one Fe(2)O3F3 octahedra, corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Fe(3)O3F3 octahedra, corners with three equivalent Fe(6)O3F3 octahedra, and  an edgeedge with one Fe(5)O4F square pyramid. The corner-sharing octahedral tilt angles range from 42-62°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(2), one O(5), one O(6), and one F(1) atom to form distorted FeO4F square pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra,  a cornercorner with one Fe(6)O3F3 octahedra, corners with two equivalent Fe(2)O3F3 octahedra, corners with three equivalent Fe(3)O3F3 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra, and  an edgeedge with one Fe(4)O4F square pyramid. The corner-sharing octahedral tilt angles range from 42-58°. In the sixth Fe site, Fe(6) is bonded to one O(3), one O(4), one O(7), one F(1), one F(4), and one F(5) atom to form FeO3F3 octahedra that share  a cornercorner with one Fe(5)O4F square pyramid, corners with three equivalent Fe(4)O4F square pyramids,  an edgeedge with one Mg(1)O3F3 octahedra,  an edgeedge with one Fe(2)O3F3 octahedra, and  an edgeedge with one Fe(3)O3F3 octahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Fe(1), one Fe(2), and one Fe(5) atom to form distorted OMgFe3 trigonal pyramids that share corners with two equivalent O(6)MgFe3 trigonal pyramids,  an edgeedge with one O(6)MgFe3 trigonal pyramid, and  an edgeedge with one F(5)MgFe3 trigonal pyramid. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(5) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to 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(3), and one Fe(6) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Mg(1), one Fe(3), one Fe(4), and one Fe(5) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Fe(1), one Fe(2), and one Fe(5) atom to form OMgFe3 trigonal pyramids that share corners with two equivalent O(1)MgFe3 trigonal pyramids, corners with two equivalent F(5)MgFe3 trigonal pyramids, and  an edgeedge with one O(1)MgFe3 trigonal pyramid. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(2), and one Fe(3) atom. In the third F site, F(3) is bonded in an L-shaped geometry to one Fe(2) and one Fe(3) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(2), and one Fe(6) atom. In the fifth F site, F(5) is bonded to one Mg(1), one Fe(1), one Fe(4), and one Fe(6) atom to form distorted FMgFe3 trigonal pyramids that share corners with two equivalent O(6)MgFe3 trigonal pyramids and  an edgeedge with one O(1)MgFe3 trigonal pyramid. is represented by the CIF file [CIF]
data_MgFe6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.155
_cell_length_b   5.969
_cell_length_c   5.782
_cell_angle_alpha   68.227
_cell_angle_beta   66.562
_cell_angle_gamma   63.876
_symmetry_Int_Tables_number   1
_cell_volume   225.247
_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  0.661  0.835  0.348  1.0
  Fe  Fe1  1  0.882  0.686  0.732  1.0
  Fe  Fe2  1  0.688  0.319  0.339  1.0
  Fe  Fe3  1  0.319  0.638  0.662  1.0
  Fe  Fe4  1  0.149  0.279  0.317  1.0
  Fe  Fe5  1  0.475  0.980  0.962  1.0
  Fe  Fe6  1  0.010  0.048  0.965  1.0
  O  O7  1  0.664  0.977  0.614  1.0
  O  O8  1  0.321  0.338  0.959  1.0
  O  O9  1  0.984  0.193  0.228  1.0
  O  O10  1  0.050  0.817  0.753  1.0
  O  O11  1  0.369  0.950  0.360  1.0
  O  O12  1  0.691  0.672  0.069  1.0
  O  O13  1  0.019  0.341  0.673  1.0
  F  F14  1  0.301  0.861  0.908  1.0
  F  F15  1  0.608  0.534  0.613  1.0
  F  F16  1  0.382  0.449  0.412  1.0
  F  F17  1  0.722  0.127  0.065  1.0
  F  F18  1  0.964  0.707  0.282  1.0
[/CIF]
.
The crystal structure described by MgFe6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(5), one O(6), one F(2), one F(4), and one F(5) atom to form MgO3F3 octahedra that share  a cornercorner with one Fe(5)O4F square pyramid, corners with two equivalent Fe(4)O4F square pyramids,  an edgeedge with one Fe(3)O3F3 octahedra,  an edgeedge with one Fe(6)O3F3 octahedra, edges with two equivalent Fe(2)O3F3 octahedra, and  an edgeedge with one Fe(5)O4F square pyramid. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(6), one O(7), and one F(5) atom. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(6), one F(2), one F(3), and one F(4) atom to form FeO3F3 octahedra that share  a cornercorner with one Fe(4)O4F square pyramid, corners with two equivalent Fe(5)O4F square pyramids,  an edgeedge with one Fe(3)O3F3 octahedra,  an edgeedge with one Fe(6)O3F3 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. In the third Fe site, Fe(3) is bonded to one O(2), one O(4), one O(5), one F(1), one F(2), and one F(3) atom to form FeO3F3 octahedra that share corners with two equivalent Fe(4)O4F square pyramids, corners with three equivalent Fe(5)O4F square pyramids,  an edgeedge with one Mg(1)O3F3 octahedra,  an edgeedge with one Fe(2)O3F3 octahedra, and  an edgeedge with one Fe(6)O3F3 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(3), one O(5), one O(7), and one F(5) atom to form distorted FeO4F square pyramids that share  a cornercorner with one Fe(2)O3F3 octahedra, corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Fe(3)O3F3 octahedra, corners with three equivalent Fe(6)O3F3 octahedra, and  an edgeedge with one Fe(5)O4F square pyramid. The corner-sharing octahedral tilt angles range from 42-62°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(2), one O(5), one O(6), and one F(1) atom to form distorted FeO4F square pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra,  a cornercorner with one Fe(6)O3F3 octahedra, corners with two equivalent Fe(2)O3F3 octahedra, corners with three equivalent Fe(3)O3F3 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra, and  an edgeedge with one Fe(4)O4F square pyramid. The corner-sharing octahedral tilt angles range from 42-58°. In the sixth Fe site, Fe(6) is bonded to one O(3), one O(4), one O(7), one F(1), one F(4), and one F(5) atom to form FeO3F3 octahedra that share  a cornercorner with one Fe(5)O4F square pyramid, corners with three equivalent Fe(4)O4F square pyramids,  an edgeedge with one Mg(1)O3F3 octahedra,  an edgeedge with one Fe(2)O3F3 octahedra, and  an edgeedge with one Fe(3)O3F3 octahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Fe(1), one Fe(2), and one Fe(5) atom to form distorted OMgFe3 trigonal pyramids that share corners with two equivalent O(6)MgFe3 trigonal pyramids,  an edgeedge with one O(6)MgFe3 trigonal pyramid, and  an edgeedge with one F(5)MgFe3 trigonal pyramid. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(5) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to 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(3), and one Fe(6) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Mg(1), one Fe(3), one Fe(4), and one Fe(5) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Fe(1), one Fe(2), and one Fe(5) atom to form OMgFe3 trigonal pyramids that share corners with two equivalent O(1)MgFe3 trigonal pyramids, corners with two equivalent F(5)MgFe3 trigonal pyramids, and  an edgeedge with one O(1)MgFe3 trigonal pyramid. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(2), and one Fe(3) atom. In the third F site, F(3) is bonded in an L-shaped geometry to one Fe(2) and one Fe(3) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(2), and one Fe(6) atom. In the fifth F site, F(5) is bonded to one Mg(1), one Fe(1), one Fe(4), and one Fe(6) atom to form distorted FMgFe3 trigonal pyramids that share corners with two equivalent O(6)MgFe3 trigonal pyramids and  an edgeedge with one O(1)MgFe3 trigonal pyramid. is represented by the CIF file [CIF]
data_MgFe6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.155
_cell_length_b   5.969
_cell_length_c   5.782
_cell_angle_alpha   68.227
_cell_angle_beta   66.562
_cell_angle_gamma   63.876
_symmetry_Int_Tables_number   1
_cell_volume   225.247
_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  0.661  0.835  0.348  1.0
  Fe  Fe1  1  0.882  0.686  0.732  1.0
  Fe  Fe2  1  0.688  0.319  0.339  1.0
  Fe  Fe3  1  0.319  0.638  0.662  1.0
  Fe  Fe4  1  0.149  0.279  0.317  1.0
  Fe  Fe5  1  0.475  0.980  0.962  1.0
  Fe  Fe6  1  0.010  0.048  0.965  1.0
  O  O7  1  0.664  0.977  0.614  1.0
  O  O8  1  0.321  0.338  0.959  1.0
  O  O9  1  0.984  0.193  0.228  1.0
  O  O10  1  0.050  0.817  0.753  1.0
  O  O11  1  0.369  0.950  0.360  1.0
  O  O12  1  0.691  0.672  0.069  1.0
  O  O13  1  0.019  0.341  0.673  1.0
  F  F14  1  0.301  0.861  0.908  1.0
  F  F15  1  0.608  0.534  0.613  1.0
  F  F16  1  0.382  0.449  0.412  1.0
  F  F17  1  0.722  0.127  0.065  1.0
  F  F18  1  0.964  0.707  0.282  1.0
[/CIF]
.