The material structure described by MgFe8(O7F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(3), two equivalent O(11), and two equivalent O(8) atoms to form distorted MgO6 octahedra that share  a cornercorner with one Fe(3)O5F octahedra, corners with four equivalent Mg(1)O6 octahedra,  a cornercorner with one Fe(6)O4F trigonal bipyramid,  a cornercorner with one Fe(7)O4F trigonal bipyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  an edgeedge with one Fe(6)O4F trigonal bipyramid, and  an edgeedge with one Fe(7)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 12-33°. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(3), one O(5), and one O(9) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with four equivalent Fe(5)O6 octahedra, corners with three equivalent Fe(7)O4F trigonal bipyramids, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-55°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(12), one O(13), one O(4), and one O(6) atom to form FeO6 octahedra that share corners with four equivalent Fe(8)O5F octahedra, corners with four equivalent Fe(5)O6 octahedra,  an edgeedge with one Fe(3)O5F octahedra, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-54°. In the third Fe site, Fe(3) is bonded to one O(13), one O(14), one O(2), one O(4), one O(7), and one F(1) atom to form FeO5F octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with four equivalent Fe(8)O5F octahedra, corners with four equivalent Fe(6)O4F trigonal bipyramids, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-50°. In the fourth Fe site, Fe(4) is bonded in a 4-coordinate geometry to one O(14), two equivalent O(11), two equivalent O(8), and one F(2) atom. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(10), one O(12), one O(5), one O(6), and one O(9) atom to form FeO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(1)O5 trigonal bipyramids,  an edgeedge with one Fe(8)O5F octahedra, and  an edgeedge with one Fe(7)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-52°. In the sixth Fe site, Fe(6) is bonded to one O(14), one O(2), one O(7), one O(8), and one F(1) atom to form distorted FeO4F trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with four equivalent Fe(3)O5F octahedra,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one Fe(8)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-67°. In the seventh Fe site, Fe(7) is bonded to one O(11), one O(3), one O(5), one O(9), and one F(2) atom to form distorted FeO4F trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with three equivalent Fe(1)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles are 71°. In the eighth Fe site, Fe(8) is bonded to one O(10), one O(13), one O(4), one O(6), one O(7), and one F(1) atom to form FeO5F octahedra that share corners with four equivalent Fe(3)O5F octahedra, corners with four equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and  an edgeedge with one Fe(6)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-54°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Fe(3), and one Fe(6) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(1), and one Fe(7) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(8) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(5), and one Fe(7) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(8) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(3), one Fe(6), and one Fe(8) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Fe(6), and two equivalent Fe(4) atoms. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(1), one Fe(5), and one Fe(7) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(8) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Fe(7), and two equivalent Fe(4) atoms. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(5) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(8) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(6) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Fe(3), one Fe(6), and one Fe(8) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Fe(4) and one Fe(7) atom. is represented by the CIF card [CIF]
data_MgFe8(O7F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.578
_cell_length_b   4.529
_cell_length_c   13.474
_cell_angle_alpha   86.889
_cell_angle_beta   84.648
_cell_angle_gamma   90.188
_symmetry_Int_Tables_number   1
_cell_volume   277.767
_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  0.220  0.746  0.755  1.0
  Fe  Fe1  1  0.096  0.005  0.028  1.0
  Fe  Fe2  1  0.019  0.981  0.254  1.0
  Fe  Fe3  1  0.983  0.953  0.487  1.0
  Fe  Fe4  1  0.796  0.171  0.735  1.0
  Fe  Fe5  1  0.549  0.491  0.137  1.0
  Fe  Fe6  1  0.383  0.401  0.587  1.0
  Fe  Fe7  1  0.584  0.608  0.918  1.0
  Fe  Fe8  1  0.495  0.463  0.357  1.0
  O  O9  1  0.245  0.797  0.143  1.0
  O  O10  1  0.174  0.757  0.603  1.0
  O  O11  1  0.243  0.831  0.902  1.0
  O  O12  1  0.188  0.767  0.366  1.0
  O  O13  1  0.375  0.328  0.020  1.0
  O  O14  1  0.330  0.277  0.247  1.0
  O  O15  1  0.276  0.261  0.468  1.0
  O  O16  1  0.240  0.267  0.728  1.0
  O  O17  1  0.768  0.730  0.028  1.0
  O  O18  1  0.717  0.676  0.251  1.0
  O  O19  1  0.725  0.743  0.773  1.0
  O  O20  1  0.863  0.195  0.137  1.0
  O  O21  1  0.801  0.161  0.365  1.0
  O  O22  1  0.749  0.185  0.599  1.0
  F  F23  1  0.664  0.658  0.482  1.0
  F  F24  1  0.795  0.241  0.878  1.0
[/CIF]
.
The material structure described by MgFe8(O7F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(3), two equivalent O(11), and two equivalent O(8) atoms to form distorted MgO6 octahedra that share  a cornercorner with one Fe(3)O5F octahedra, corners with four equivalent Mg(1)O6 octahedra,  a cornercorner with one Fe(6)O4F trigonal bipyramid,  a cornercorner with one Fe(7)O4F trigonal bipyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  an edgeedge with one Fe(6)O4F trigonal bipyramid, and  an edgeedge with one Fe(7)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 12-33°. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(3), one O(5), and one O(9) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with four equivalent Fe(5)O6 octahedra, corners with three equivalent Fe(7)O4F trigonal bipyramids, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-55°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(12), one O(13), one O(4), and one O(6) atom to form FeO6 octahedra that share corners with four equivalent Fe(8)O5F octahedra, corners with four equivalent Fe(5)O6 octahedra,  an edgeedge with one Fe(3)O5F octahedra, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-54°. In the third Fe site, Fe(3) is bonded to one O(13), one O(14), one O(2), one O(4), one O(7), and one F(1) atom to form FeO5F octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with four equivalent Fe(8)O5F octahedra, corners with four equivalent Fe(6)O4F trigonal bipyramids, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-50°. In the fourth Fe site, Fe(4) is bonded in a 4-coordinate geometry to one O(14), two equivalent O(11), two equivalent O(8), and one F(2) atom. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(10), one O(12), one O(5), one O(6), and one O(9) atom to form FeO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(1)O5 trigonal bipyramids,  an edgeedge with one Fe(8)O5F octahedra, and  an edgeedge with one Fe(7)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-52°. In the sixth Fe site, Fe(6) is bonded to one O(14), one O(2), one O(7), one O(8), and one F(1) atom to form distorted FeO4F trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with four equivalent Fe(3)O5F octahedra,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one Fe(8)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-67°. In the seventh Fe site, Fe(7) is bonded to one O(11), one O(3), one O(5), one O(9), and one F(2) atom to form distorted FeO4F trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with three equivalent Fe(1)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles are 71°. In the eighth Fe site, Fe(8) is bonded to one O(10), one O(13), one O(4), one O(6), one O(7), and one F(1) atom to form FeO5F octahedra that share corners with four equivalent Fe(3)O5F octahedra, corners with four equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and  an edgeedge with one Fe(6)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-54°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Fe(3), and one Fe(6) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(1), and one Fe(7) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(8) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(5), and one Fe(7) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(8) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(3), one Fe(6), and one Fe(8) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Fe(6), and two equivalent Fe(4) atoms. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(1), one Fe(5), and one Fe(7) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(8) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Fe(7), and two equivalent Fe(4) atoms. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(5) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(8) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(6) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Fe(3), one Fe(6), and one Fe(8) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Fe(4) and one Fe(7) atom. is represented by the CIF card [CIF]
data_MgFe8(O7F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.578
_cell_length_b   4.529
_cell_length_c   13.474
_cell_angle_alpha   86.889
_cell_angle_beta   84.648
_cell_angle_gamma   90.188
_symmetry_Int_Tables_number   1
_cell_volume   277.767
_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  0.220  0.746  0.755  1.0
  Fe  Fe1  1  0.096  0.005  0.028  1.0
  Fe  Fe2  1  0.019  0.981  0.254  1.0
  Fe  Fe3  1  0.983  0.953  0.487  1.0
  Fe  Fe4  1  0.796  0.171  0.735  1.0
  Fe  Fe5  1  0.549  0.491  0.137  1.0
  Fe  Fe6  1  0.383  0.401  0.587  1.0
  Fe  Fe7  1  0.584  0.608  0.918  1.0
  Fe  Fe8  1  0.495  0.463  0.357  1.0
  O  O9  1  0.245  0.797  0.143  1.0
  O  O10  1  0.174  0.757  0.603  1.0
  O  O11  1  0.243  0.831  0.902  1.0
  O  O12  1  0.188  0.767  0.366  1.0
  O  O13  1  0.375  0.328  0.020  1.0
  O  O14  1  0.330  0.277  0.247  1.0
  O  O15  1  0.276  0.261  0.468  1.0
  O  O16  1  0.240  0.267  0.728  1.0
  O  O17  1  0.768  0.730  0.028  1.0
  O  O18  1  0.717  0.676  0.251  1.0
  O  O19  1  0.725  0.743  0.773  1.0
  O  O20  1  0.863  0.195  0.137  1.0
  O  O21  1  0.801  0.161  0.365  1.0
  O  O22  1  0.749  0.185  0.599  1.0
  F  F23  1  0.664  0.658  0.482  1.0
  F  F24  1  0.795  0.241  0.878  1.0
[/CIF]
.