The crystal structure described by MgFe6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(7), one F(2), one F(3), and one F(5) atom to form MgO3F3 octahedra that share  a cornercorner with one Fe(4)O3F3 octahedra,  a cornercorner with one Fe(2)O4F square pyramid,  an edgeedge with one Fe(2)O4F square pyramid, and  a faceface with one Fe(4)O3F3 octahedra. The corner-sharing octahedral tilt angles are 42°. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one F(3), and one F(5) atom. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), one O(6), one O(7), and one F(3) atom to form FeO4F square pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent Fe(4)O3F3 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra, and  an edgeedge with one Fe(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 39-79°. 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 FeO4F2 octahedra that share corners with two equivalent Fe(4)O3F3 octahedra and  an edgeedge with one Fe(2)O4F square pyramid. The corner-sharing octahedral tilt angles range from 48-51°. In the fourth Fe site, Fe(4) is bonded to one O(3), one O(5), one O(7), one F(1), one F(2), and one F(5) atom to form distorted FeO3F3 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent Fe(3)O4F2 octahedra, corners with two equivalent Fe(2)O4F square pyramids, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-51°. In the fifth Fe site, Fe(5) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(6), one F(1), one F(4), and one F(5) atom. In the sixth Fe site, Fe(6) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(7), one F(2), one F(3), and one F(4) atom. 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(5), and one Fe(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(6) atom. In the third O site, O(3) is bonded to one Mg(1), one Fe(1), one Fe(2), and one Fe(4) atom to form distorted OMgFe3 trigonal pyramids that share  a cornercorner with one O(7)MgFe3 trigonal pyramid,  a cornercorner with one F(3)MgFe3 trigonal pyramid,  an edgeedge with one O(7)MgFe3 trigonal pyramid, and  an edgeedge with one F(3)MgFe3 trigonal pyramid. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a distorted 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 distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(5) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Fe(2), one Fe(4), and one Fe(6) atom to form distorted OMgFe3 trigonal pyramids that share  a cornercorner with one O(3)MgFe3 trigonal pyramid,  a cornercorner with one F(3)MgFe3 trigonal pyramid,  an edgeedge with one O(3)MgFe3 trigonal pyramid, and  an edgeedge with one F(3)MgFe3 trigonal pyramid. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(5) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(4), and one Fe(6) atom. In the third F site, F(3) is bonded to one Mg(1), one Fe(1), one Fe(2), and one Fe(6) atom to form distorted FMgFe3 trigonal pyramids that share  a cornercorner with one O(3)MgFe3 trigonal pyramid,  a cornercorner with one O(7)MgFe3 trigonal pyramid,  an edgeedge with one O(3)MgFe3 trigonal pyramid, and  an edgeedge with one O(7)MgFe3 trigonal pyramid. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), one Fe(4), and one Fe(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.124
_cell_length_b   7.916
_cell_length_c   5.728
_cell_angle_alpha   96.170
_cell_angle_beta   95.975
_cell_angle_gamma   85.791
_symmetry_Int_Tables_number   1
_cell_volume   229.272
_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  0.975  0.847  0.329  1.0
  Fe  Fe1  1  0.506  0.622  0.208  1.0
  Fe  Fe2  1  0.463  0.991  0.538  1.0
  Fe  Fe3  1  0.499  0.335  0.822  1.0
  Fe  Fe4  1  0.016  0.656  0.703  1.0
  Fe  Fe5  1  0.973  0.296  0.331  1.0
  Fe  Fe6  1  0.004  0.029  0.932  1.0
  O  O7  1  0.861  0.074  0.240  1.0
  O  O8  1  0.700  0.113  0.760  1.0
  O  O9  1  0.688  0.771  0.487  1.0
  O  O10  1  0.718  0.406  0.116  1.0
  O  O11  1  0.306  0.556  0.874  1.0
  O  O12  1  0.291  0.230  0.529  1.0
  O  O13  1  0.170  0.891  0.673  1.0
  F  F14  1  0.812  0.437  0.619  1.0
  F  F15  1  0.858  0.776  0.983  1.0
  F  F16  1  0.310  0.894  0.198  1.0
  F  F17  1  0.217  0.228  0.021  1.0
  F  F18  1  0.145  0.597  0.373  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(3), one O(7), one F(2), one F(3), and one F(5) atom to form MgO3F3 octahedra that share  a cornercorner with one Fe(4)O3F3 octahedra,  a cornercorner with one Fe(2)O4F square pyramid,  an edgeedge with one Fe(2)O4F square pyramid, and  a faceface with one Fe(4)O3F3 octahedra. The corner-sharing octahedral tilt angles are 42°. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one F(3), and one F(5) atom. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), one O(6), one O(7), and one F(3) atom to form FeO4F square pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent Fe(4)O3F3 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra, and  an edgeedge with one Fe(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 39-79°. 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 FeO4F2 octahedra that share corners with two equivalent Fe(4)O3F3 octahedra and  an edgeedge with one Fe(2)O4F square pyramid. The corner-sharing octahedral tilt angles range from 48-51°. In the fourth Fe site, Fe(4) is bonded to one O(3), one O(5), one O(7), one F(1), one F(2), and one F(5) atom to form distorted FeO3F3 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent Fe(3)O4F2 octahedra, corners with two equivalent Fe(2)O4F square pyramids, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-51°. In the fifth Fe site, Fe(5) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(6), one F(1), one F(4), and one F(5) atom. In the sixth Fe site, Fe(6) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(7), one F(2), one F(3), and one F(4) atom. 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(5), and one Fe(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(6) atom. In the third O site, O(3) is bonded to one Mg(1), one Fe(1), one Fe(2), and one Fe(4) atom to form distorted OMgFe3 trigonal pyramids that share  a cornercorner with one O(7)MgFe3 trigonal pyramid,  a cornercorner with one F(3)MgFe3 trigonal pyramid,  an edgeedge with one O(7)MgFe3 trigonal pyramid, and  an edgeedge with one F(3)MgFe3 trigonal pyramid. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a distorted 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 distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(5) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Fe(2), one Fe(4), and one Fe(6) atom to form distorted OMgFe3 trigonal pyramids that share  a cornercorner with one O(3)MgFe3 trigonal pyramid,  a cornercorner with one F(3)MgFe3 trigonal pyramid,  an edgeedge with one O(3)MgFe3 trigonal pyramid, and  an edgeedge with one F(3)MgFe3 trigonal pyramid. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(5) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(4), and one Fe(6) atom. In the third F site, F(3) is bonded to one Mg(1), one Fe(1), one Fe(2), and one Fe(6) atom to form distorted FMgFe3 trigonal pyramids that share  a cornercorner with one O(3)MgFe3 trigonal pyramid,  a cornercorner with one O(7)MgFe3 trigonal pyramid,  an edgeedge with one O(3)MgFe3 trigonal pyramid, and  an edgeedge with one O(7)MgFe3 trigonal pyramid. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), one Fe(4), and one Fe(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.124
_cell_length_b   7.916
_cell_length_c   5.728
_cell_angle_alpha   96.170
_cell_angle_beta   95.975
_cell_angle_gamma   85.791
_symmetry_Int_Tables_number   1
_cell_volume   229.272
_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  0.975  0.847  0.329  1.0
  Fe  Fe1  1  0.506  0.622  0.208  1.0
  Fe  Fe2  1  0.463  0.991  0.538  1.0
  Fe  Fe3  1  0.499  0.335  0.822  1.0
  Fe  Fe4  1  0.016  0.656  0.703  1.0
  Fe  Fe5  1  0.973  0.296  0.331  1.0
  Fe  Fe6  1  0.004  0.029  0.932  1.0
  O  O7  1  0.861  0.074  0.240  1.0
  O  O8  1  0.700  0.113  0.760  1.0
  O  O9  1  0.688  0.771  0.487  1.0
  O  O10  1  0.718  0.406  0.116  1.0
  O  O11  1  0.306  0.556  0.874  1.0
  O  O12  1  0.291  0.230  0.529  1.0
  O  O13  1  0.170  0.891  0.673  1.0
  F  F14  1  0.812  0.437  0.619  1.0
  F  F15  1  0.858  0.776  0.983  1.0
  F  F16  1  0.310  0.894  0.198  1.0
  F  F17  1  0.217  0.228  0.021  1.0
  F  F18  1  0.145  0.597  0.373  1.0
[/CIF]
.