The compound described by MgFe6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(4), one O(6), one O(7), one F(1), and one F(3) atom to form distorted MgO4F2 octahedra that share corners with two equivalent Fe(5)O4F trigonal bipyramids, corners with two equivalent Fe(6)O4F trigonal bipyramids, edges with two equivalent Fe(1)O3F3 octahedra, edges with two equivalent Fe(2)O3F3 octahedra,  an edgeedge with one Fe(4)O4F trigonal bipyramid, and  a faceface with one Fe(4)O4F trigonal bipyramid. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(6), one F(1), one F(3), and one F(4) atom to form FeO3F3 octahedra that share corners with three equivalent Fe(4)O4F trigonal bipyramids, corners with three equivalent Fe(5)O4F trigonal bipyramids,  an edgeedge with one Fe(2)O3F3 octahedra,  an edgeedge with one Fe(3)O3F3 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), one O(7), one F(1), one F(3), and one F(5) atom to form FeO3F3 octahedra that share corners with three equivalent Fe(4)O4F trigonal bipyramids, corners with three equivalent Fe(6)O4F trigonal bipyramids,  an edgeedge with one Fe(1)O3F3 octahedra,  an edgeedge with one Fe(3)O3F3 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(5), one F(2), one F(4), and one F(5) atom to form FeO3F3 octahedra that share corners with three equivalent Fe(5)O4F trigonal bipyramids, corners with three equivalent Fe(6)O4F trigonal bipyramids,  an edgeedge with one Fe(1)O3F3 octahedra, and  an edgeedge with one Fe(2)O3F3 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(3), one O(4), one O(6), one O(7), and one F(3) atom to form distorted FeO4F trigonal bipyramids that share corners with three equivalent Fe(1)O3F3 octahedra, corners with three equivalent Fe(2)O3F3 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Fe(5)O4F trigonal bipyramid,  an edgeedge with one Fe(6)O4F trigonal bipyramid, and  a faceface with one Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 37-55°. In the fifth Fe site, Fe(5) is bonded to one O(2), one O(3), one O(5), one O(6), and one F(2) atom to form FeO4F trigonal bipyramids that share corners with two equivalent Mg(1)O4F2 octahedra, corners with three equivalent Fe(1)O3F3 octahedra, corners with three equivalent Fe(3)O3F3 octahedra,  an edgeedge with one Fe(4)O4F trigonal bipyramid, and  an edgeedge with one Fe(6)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 30-65°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(4), one O(5), one O(7), and one F(2) atom to form distorted FeO4F trigonal bipyramids that share corners with two equivalent Mg(1)O4F2 octahedra, corners with three equivalent Fe(2)O3F3 octahedra, corners with three equivalent Fe(3)O3F3 octahedra,  an edgeedge with one Fe(4)O4F trigonal bipyramid, and  an edgeedge with one Fe(5)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 29-68°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(3), and one Fe(6) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(5) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(4), and one Fe(5) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(2), one Fe(4), and one Fe(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Fe(1), one Fe(4), and one Fe(5) atom to form distorted edge-sharing OMgFe3 trigonal pyramids. 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 edge-sharing OMgFe3 trigonal pyramids. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Fe(1), and one Fe(2) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Fe(4) atom. In the fourth F site, F(4) is bonded in an L-shaped geometry to one Fe(1) and one Fe(3) atom. In the fifth F site, F(5) is bonded in an L-shaped geometry to one Fe(2) and one Fe(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.093
_cell_length_b   5.119
_cell_length_c   8.957
_cell_angle_alpha   90.638
_cell_angle_beta   89.596
_cell_angle_gamma   99.468
_symmetry_Int_Tables_number   1
_cell_volume   230.340
_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  0.489  0.981  0.179  1.0
  Fe  Fe1  1  0.009  0.980  0.983  1.0
  Fe  Fe2  1  0.005  0.991  0.357  1.0
  Fe  Fe3  1  0.059  0.989  0.662  1.0
  Fe  Fe4  1  0.562  0.482  0.169  1.0
  Fe  Fe5  1  0.420  0.536  0.845  1.0
  Fe  Fe6  1  0.427  0.535  0.495  1.0
  O  O7  1  0.175  0.771  0.508  1.0
  O  O8  1  0.163  0.781  0.836  1.0
  O  O9  1  0.344  0.262  0.014  1.0
  O  O10  1  0.357  0.262  0.323  1.0
  O  O11  1  0.336  0.309  0.672  1.0
  O  O12  1  0.645  0.750  0.013  1.0
  O  O13  1  0.641  0.746  0.325  1.0
  F  F14  1  0.133  0.784  0.159  1.0
  F  F15  1  0.673  0.724  0.673  1.0
  F  F16  1  0.833  0.228  0.163  1.0
  F  F17  1  0.870  0.183  0.834  1.0
  F  F18  1  0.857  0.191  0.525  1.0
[/CIF]
.
The compound described by MgFe6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(4), one O(6), one O(7), one F(1), and one F(3) atom to form distorted MgO4F2 octahedra that share corners with two equivalent Fe(5)O4F trigonal bipyramids, corners with two equivalent Fe(6)O4F trigonal bipyramids, edges with two equivalent Fe(1)O3F3 octahedra, edges with two equivalent Fe(2)O3F3 octahedra,  an edgeedge with one Fe(4)O4F trigonal bipyramid, and  a faceface with one Fe(4)O4F trigonal bipyramid. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(6), one F(1), one F(3), and one F(4) atom to form FeO3F3 octahedra that share corners with three equivalent Fe(4)O4F trigonal bipyramids, corners with three equivalent Fe(5)O4F trigonal bipyramids,  an edgeedge with one Fe(2)O3F3 octahedra,  an edgeedge with one Fe(3)O3F3 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), one O(7), one F(1), one F(3), and one F(5) atom to form FeO3F3 octahedra that share corners with three equivalent Fe(4)O4F trigonal bipyramids, corners with three equivalent Fe(6)O4F trigonal bipyramids,  an edgeedge with one Fe(1)O3F3 octahedra,  an edgeedge with one Fe(3)O3F3 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(5), one F(2), one F(4), and one F(5) atom to form FeO3F3 octahedra that share corners with three equivalent Fe(5)O4F trigonal bipyramids, corners with three equivalent Fe(6)O4F trigonal bipyramids,  an edgeedge with one Fe(1)O3F3 octahedra, and  an edgeedge with one Fe(2)O3F3 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(3), one O(4), one O(6), one O(7), and one F(3) atom to form distorted FeO4F trigonal bipyramids that share corners with three equivalent Fe(1)O3F3 octahedra, corners with three equivalent Fe(2)O3F3 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Fe(5)O4F trigonal bipyramid,  an edgeedge with one Fe(6)O4F trigonal bipyramid, and  a faceface with one Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 37-55°. In the fifth Fe site, Fe(5) is bonded to one O(2), one O(3), one O(5), one O(6), and one F(2) atom to form FeO4F trigonal bipyramids that share corners with two equivalent Mg(1)O4F2 octahedra, corners with three equivalent Fe(1)O3F3 octahedra, corners with three equivalent Fe(3)O3F3 octahedra,  an edgeedge with one Fe(4)O4F trigonal bipyramid, and  an edgeedge with one Fe(6)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 30-65°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(4), one O(5), one O(7), and one F(2) atom to form distorted FeO4F trigonal bipyramids that share corners with two equivalent Mg(1)O4F2 octahedra, corners with three equivalent Fe(2)O3F3 octahedra, corners with three equivalent Fe(3)O3F3 octahedra,  an edgeedge with one Fe(4)O4F trigonal bipyramid, and  an edgeedge with one Fe(5)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 29-68°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(3), and one Fe(6) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(5) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(4), and one Fe(5) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(2), one Fe(4), and one Fe(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Fe(1), one Fe(4), and one Fe(5) atom to form distorted edge-sharing OMgFe3 trigonal pyramids. 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 edge-sharing OMgFe3 trigonal pyramids. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Fe(1), and one Fe(2) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Fe(4) atom. In the fourth F site, F(4) is bonded in an L-shaped geometry to one Fe(1) and one Fe(3) atom. In the fifth F site, F(5) is bonded in an L-shaped geometry to one Fe(2) and one Fe(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.093
_cell_length_b   5.119
_cell_length_c   8.957
_cell_angle_alpha   90.638
_cell_angle_beta   89.596
_cell_angle_gamma   99.468
_symmetry_Int_Tables_number   1
_cell_volume   230.340
_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  0.489  0.981  0.179  1.0
  Fe  Fe1  1  0.009  0.980  0.983  1.0
  Fe  Fe2  1  0.005  0.991  0.357  1.0
  Fe  Fe3  1  0.059  0.989  0.662  1.0
  Fe  Fe4  1  0.562  0.482  0.169  1.0
  Fe  Fe5  1  0.420  0.536  0.845  1.0
  Fe  Fe6  1  0.427  0.535  0.495  1.0
  O  O7  1  0.175  0.771  0.508  1.0
  O  O8  1  0.163  0.781  0.836  1.0
  O  O9  1  0.344  0.262  0.014  1.0
  O  O10  1  0.357  0.262  0.323  1.0
  O  O11  1  0.336  0.309  0.672  1.0
  O  O12  1  0.645  0.750  0.013  1.0
  O  O13  1  0.641  0.746  0.325  1.0
  F  F14  1  0.133  0.784  0.159  1.0
  F  F15  1  0.673  0.724  0.673  1.0
  F  F16  1  0.833  0.228  0.163  1.0
  F  F17  1  0.870  0.183  0.834  1.0
  F  F18  1  0.857  0.191  0.525  1.0
[/CIF]
.