The crystal structure described by MgFe8(O7F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(10), one O(14), one O(2), one O(5), and one O(7) atom to form distorted MgO6 octahedra that share  a cornercorner with one Fe(6)O5F octahedra,  a cornercorner with one Fe(8)O5F octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra,  an edgeedge with one Fe(1)O5F octahedra,  a faceface with one Fe(4)O5F octahedra, and  a faceface with one Fe(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-64°. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(9), and one F(1) atom to form distorted FeO5F octahedra that share  a cornercorner with one Fe(2)O5F octahedra,  a cornercorner with one Fe(6)O5F octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(8)O5F octahedra,  an edgeedge with one Mg(1)O6 octahedra,  a faceface with one Fe(4)O5F octahedra, and  a faceface with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-61°. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(3), one O(4), one O(7), and one F(2) atom to form FeO5F octahedra that share  a cornercorner with one Fe(1)O5F octahedra, corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(6)O5F octahedra, corners with two equivalent Fe(5)O6 octahedra, and  an edgeedge with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-67°. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(4), one O(5), one O(8), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(8)O5F octahedra, corners with two equivalent Fe(7)O6 octahedra,  an edgeedge with one Fe(6)O5F octahedra, and  an edgeedge with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(14), one O(6), one O(7), one O(9), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(8)O5F octahedra, corners with two equivalent Fe(7)O6 octahedra,  an edgeedge with one Fe(6)O5F octahedra,  an edgeedge with one Fe(5)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Fe(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 34-63°. In the fifth Fe site, Fe(5) is bonded to one O(12), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(8)O5F octahedra, corners with two equivalent Fe(7)O6 octahedra,  an edgeedge with one Fe(3)O5F octahedra,  an edgeedge with one Fe(4)O5F octahedra, and  a faceface with one Fe(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 36-59°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(13), one O(14), one O(2), one O(7), and one F(2) atom to form distorted FeO5F octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(8)O5F octahedra, corners with two equivalent Fe(7)O6 octahedra,  an edgeedge with one Fe(3)O5F octahedra,  an edgeedge with one Fe(4)O5F octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-67°. In the seventh Fe site, Fe(7) is bonded to one O(11), one O(12), one O(13), one O(14), one O(4), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Fe(1)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(6)O5F octahedra, corners with two equivalent Fe(5)O6 octahedra,  an edgeedge with one Fe(2)O5F octahedra, and  an edgeedge with one Fe(8)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the eighth Fe site, Fe(8) is bonded to one O(11), one O(13), one O(2), one O(6), one O(8), and one F(1) atom to form FeO5F octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(6)O5F octahedra, corners with two equivalent Fe(5)O6 octahedra, and  an edgeedge with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-63°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Fe(1), one Fe(3), and one Fe(6) atom to form distorted OMgFe3 tetrahedra that share  a cornercorner with one O(6)Fe4 trigonal pyramid,  a cornercorner with one O(9)Fe4 trigonal pyramid, and corners with two equivalent O(7)MgFe3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(6), and one Fe(8) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(5) atom. 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(7) atom. 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(5) atom. In the sixth O site, O(6) is bonded to one Fe(1), one Fe(4), one Fe(5), and one Fe(8) atom to form distorted OFe4 trigonal pyramids that share  a cornercorner with one O(1)MgFe3 tetrahedra,  a cornercorner with one O(7)MgFe3 trigonal pyramid, and  a faceface with one O(9)Fe4 trigonal pyramid. 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 corners with two equivalent O(1)MgFe3 tetrahedra,  a cornercorner with one O(6)Fe4 trigonal pyramid, and  a cornercorner with one O(9)Fe4 trigonal pyramid. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(8) atom. In the ninth O site, O(9) is bonded to one Fe(1), one Fe(4), one Fe(5), and one Fe(7) atom to form distorted OFe4 trigonal pyramids that share  a cornercorner with one O(1)MgFe3 tetrahedra,  a cornercorner with one O(7)MgFe3 trigonal pyramid, and  a faceface with one O(6)Fe4 trigonal pyramid. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(2), and one Fe(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(7), and one Fe(8) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(7) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Fe(6), one Fe(7), and one Fe(8) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(4), one Fe(6), and one Fe(7) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(4), and one Fe(8) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe8(O7F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.983
_cell_length_b   7.410
_cell_length_c   5.657
_cell_angle_alpha   108.349
_cell_angle_beta   104.866
_cell_angle_gamma   78.436
_symmetry_Int_Tables_number   1
_cell_volume   266.250
_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  0.815  0.107  0.617  1.0
  Fe  Fe1  1  0.679  0.380  0.390  1.0
  Fe  Fe2  1  0.503  0.982  0.972  1.0
  Fe  Fe3  1  0.241  0.248  0.522  1.0
  Fe  Fe4  1  0.749  0.751  0.470  1.0
  Fe  Fe5  1  0.497  0.495  0.949  1.0
  Fe  Fe6  1  0.990  0.985  0.059  1.0
  Fe  Fe7  1  0.252  0.743  0.512  1.0
  Fe  Fe8  1  0.031  0.481  0.051  1.0
  O  O9  1  0.949  0.186  0.391  1.0
  O  O10  1  0.984  0.228  0.941  1.0
  O  O11  1  0.537  0.247  0.077  1.0
  O  O12  1  0.324  0.008  0.656  1.0
  O  O13  1  0.554  0.310  0.620  1.0
  O  O14  1  0.779  0.527  0.172  1.0
  O  O15  1  0.731  0.943  0.809  1.0
  O  O16  1  0.226  0.433  0.845  1.0
  O  O17  1  0.494  0.633  0.352  1.0
  O  O18  1  0.673  0.935  0.279  1.0
  O  O19  1  0.188  0.478  0.385  1.0
  O  O20  1  0.426  0.727  0.836  1.0
  O  O21  1  0.077  0.755  0.182  1.0
  O  O22  1  0.016  0.846  0.658  1.0
  F  F23  1  0.833  0.552  0.695  1.0
  F  F24  1  0.278  0.047  0.191  1.0
[/CIF]
.
The crystal structure described by MgFe8(O7F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(10), one O(14), one O(2), one O(5), and one O(7) atom to form distorted MgO6 octahedra that share  a cornercorner with one Fe(6)O5F octahedra,  a cornercorner with one Fe(8)O5F octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra,  an edgeedge with one Fe(1)O5F octahedra,  a faceface with one Fe(4)O5F octahedra, and  a faceface with one Fe(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-64°. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(9), and one F(1) atom to form distorted FeO5F octahedra that share  a cornercorner with one Fe(2)O5F octahedra,  a cornercorner with one Fe(6)O5F octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(8)O5F octahedra,  an edgeedge with one Mg(1)O6 octahedra,  a faceface with one Fe(4)O5F octahedra, and  a faceface with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-61°. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(3), one O(4), one O(7), and one F(2) atom to form FeO5F octahedra that share  a cornercorner with one Fe(1)O5F octahedra, corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(6)O5F octahedra, corners with two equivalent Fe(5)O6 octahedra, and  an edgeedge with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-67°. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(4), one O(5), one O(8), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(8)O5F octahedra, corners with two equivalent Fe(7)O6 octahedra,  an edgeedge with one Fe(6)O5F octahedra, and  an edgeedge with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(14), one O(6), one O(7), one O(9), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(8)O5F octahedra, corners with two equivalent Fe(7)O6 octahedra,  an edgeedge with one Fe(6)O5F octahedra,  an edgeedge with one Fe(5)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Fe(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 34-63°. In the fifth Fe site, Fe(5) is bonded to one O(12), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(8)O5F octahedra, corners with two equivalent Fe(7)O6 octahedra,  an edgeedge with one Fe(3)O5F octahedra,  an edgeedge with one Fe(4)O5F octahedra, and  a faceface with one Fe(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 36-59°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(13), one O(14), one O(2), one O(7), and one F(2) atom to form distorted FeO5F octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(8)O5F octahedra, corners with two equivalent Fe(7)O6 octahedra,  an edgeedge with one Fe(3)O5F octahedra,  an edgeedge with one Fe(4)O5F octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-67°. In the seventh Fe site, Fe(7) is bonded to one O(11), one O(12), one O(13), one O(14), one O(4), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Fe(1)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(6)O5F octahedra, corners with two equivalent Fe(5)O6 octahedra,  an edgeedge with one Fe(2)O5F octahedra, and  an edgeedge with one Fe(8)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the eighth Fe site, Fe(8) is bonded to one O(11), one O(13), one O(2), one O(6), one O(8), and one F(1) atom to form FeO5F octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(6)O5F octahedra, corners with two equivalent Fe(5)O6 octahedra, and  an edgeedge with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-63°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Fe(1), one Fe(3), and one Fe(6) atom to form distorted OMgFe3 tetrahedra that share  a cornercorner with one O(6)Fe4 trigonal pyramid,  a cornercorner with one O(9)Fe4 trigonal pyramid, and corners with two equivalent O(7)MgFe3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(6), and one Fe(8) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(5) atom. 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(7) atom. 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(5) atom. In the sixth O site, O(6) is bonded to one Fe(1), one Fe(4), one Fe(5), and one Fe(8) atom to form distorted OFe4 trigonal pyramids that share  a cornercorner with one O(1)MgFe3 tetrahedra,  a cornercorner with one O(7)MgFe3 trigonal pyramid, and  a faceface with one O(9)Fe4 trigonal pyramid. 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 corners with two equivalent O(1)MgFe3 tetrahedra,  a cornercorner with one O(6)Fe4 trigonal pyramid, and  a cornercorner with one O(9)Fe4 trigonal pyramid. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(8) atom. In the ninth O site, O(9) is bonded to one Fe(1), one Fe(4), one Fe(5), and one Fe(7) atom to form distorted OFe4 trigonal pyramids that share  a cornercorner with one O(1)MgFe3 tetrahedra,  a cornercorner with one O(7)MgFe3 trigonal pyramid, and  a faceface with one O(6)Fe4 trigonal pyramid. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(2), and one Fe(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(7), and one Fe(8) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(7) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Fe(6), one Fe(7), and one Fe(8) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(4), one Fe(6), and one Fe(7) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(4), and one Fe(8) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe8(O7F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.983
_cell_length_b   7.410
_cell_length_c   5.657
_cell_angle_alpha   108.349
_cell_angle_beta   104.866
_cell_angle_gamma   78.436
_symmetry_Int_Tables_number   1
_cell_volume   266.250
_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  0.815  0.107  0.617  1.0
  Fe  Fe1  1  0.679  0.380  0.390  1.0
  Fe  Fe2  1  0.503  0.982  0.972  1.0
  Fe  Fe3  1  0.241  0.248  0.522  1.0
  Fe  Fe4  1  0.749  0.751  0.470  1.0
  Fe  Fe5  1  0.497  0.495  0.949  1.0
  Fe  Fe6  1  0.990  0.985  0.059  1.0
  Fe  Fe7  1  0.252  0.743  0.512  1.0
  Fe  Fe8  1  0.031  0.481  0.051  1.0
  O  O9  1  0.949  0.186  0.391  1.0
  O  O10  1  0.984  0.228  0.941  1.0
  O  O11  1  0.537  0.247  0.077  1.0
  O  O12  1  0.324  0.008  0.656  1.0
  O  O13  1  0.554  0.310  0.620  1.0
  O  O14  1  0.779  0.527  0.172  1.0
  O  O15  1  0.731  0.943  0.809  1.0
  O  O16  1  0.226  0.433  0.845  1.0
  O  O17  1  0.494  0.633  0.352  1.0
  O  O18  1  0.673  0.935  0.279  1.0
  O  O19  1  0.188  0.478  0.385  1.0
  O  O20  1  0.426  0.727  0.836  1.0
  O  O21  1  0.077  0.755  0.182  1.0
  O  O22  1  0.016  0.846  0.658  1.0
  F  F23  1  0.833  0.552  0.695  1.0
  F  F24  1  0.278  0.047  0.191  1.0
[/CIF]
.