The material 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(12), one O(13), one O(4), and one O(6) atom to form MgO6 octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, edges with two equivalent Fe(8)O5F octahedra, edges with two equivalent Fe(5)O6 octahedra, and faces with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-47°. 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), one O(9), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Fe(7)O5F octahedra, corners with four equivalent Fe(5)O6 octahedra,  an edgeedge with one Fe(4)O5F octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. 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(1)O5F octahedra,  an edgeedge with one Fe(3)O5F octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. 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 corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Fe(6)O5F octahedra, corners with four equivalent Fe(8)O5F octahedra,  an edgeedge with one Fe(4)O5F octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-56°. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(14), one O(2), one O(3), one O(8), and one F(2) atom to form a mixture of corner and edge-sharing FeO5F octahedra. The corner-sharing octahedral tilt angles range from 43-53°. 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(1)O5F octahedra, corners with four equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(7)O5F octahedra,  an edgeedge with one Fe(8)O5F octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. In the sixth Fe site, Fe(6) is bonded to one O(11), one O(14), one O(2), one O(7), one O(8), and one F(1) atom to form a mixture of corner and edge-sharing FeO5F octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the seventh Fe site, Fe(7) is bonded to one O(11), one O(3), one O(5), one O(8), one O(9), and one F(2) atom to form FeO5F octahedra that share corners with four equivalent Fe(1)O5F octahedra, corners with four equivalent Fe(4)O5F 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 43-53°. 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(6)O5F octahedra,  an edgeedge with one Fe(5)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), 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 Fe(3), one Fe(4), and one Fe(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(7) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), 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 to one Mg(1), one Fe(2), one Fe(5), and one Fe(8) atom to form a mixture of distorted corner and edge-sharing OMgFe3 trigonal pyramids. 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 distorted trigonal planar geometry to one Fe(4), one Fe(6), and one Fe(7) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(5), and one Fe(7) atom. In the tenth O site, O(10) is bonded to one Mg(1), one Fe(2), one Fe(5), and one Fe(8) atom to form a mixture of distorted corner and edge-sharing OMgFe3 trigonal pyramids. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(6), and one Fe(7) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Fe(5) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(2), one Fe(3), and one Fe(8) atom. In the fourteenth O site, O(14) is bonded in a distorted 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 distorted trigonal planar geometry to one Fe(1), 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   4.836
_cell_length_b   4.820
_cell_length_c   11.832
_cell_angle_alpha   90.097
_cell_angle_beta   90.414
_cell_angle_gamma   90.579
_symmetry_Int_Tables_number   1
_cell_volume   275.788
_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  0.503  0.998  0.248  1.0
  Fe  Fe1  1  0.002  0.993  0.006  1.0
  Fe  Fe2  1  0.002  0.997  0.253  1.0
  Fe  Fe3  1  0.029  0.024  0.505  1.0
  Fe  Fe4  1  0.000  0.988  0.748  1.0
  Fe  Fe5  1  0.502  0.496  0.121  1.0
  Fe  Fe6  1  0.494  0.488  0.635  1.0
  Fe  Fe7  1  0.467  0.523  0.877  1.0
  Fe  Fe8  1  0.497  0.497  0.378  1.0
  O  O9  1  0.219  0.838  0.136  1.0
  O  O10  1  0.203  0.807  0.626  1.0
  O  O11  1  0.174  0.816  0.879  1.0
  O  O12  1  0.231  0.843  0.368  1.0
  O  O13  1  0.298  0.320  0.003  1.0
  O  O14  1  0.292  0.335  0.246  1.0
  O  O15  1  0.315  0.325  0.504  1.0
  O  O16  1  0.298  0.307  0.760  1.0
  O  O17  1  0.688  0.682  0.002  1.0
  O  O18  1  0.712  0.660  0.248  1.0
  O  O19  1  0.681  0.687  0.757  1.0
  O  O20  1  0.783  0.157  0.135  1.0
  O  O21  1  0.786  0.158  0.368  1.0
  O  O22  1  0.810  0.187  0.628  1.0
  F  F23  1  0.719  0.685  0.501  1.0
  F  F24  1  0.795  0.190  0.881  1.0
[/CIF]
.
The material 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(12), one O(13), one O(4), and one O(6) atom to form MgO6 octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, edges with two equivalent Fe(8)O5F octahedra, edges with two equivalent Fe(5)O6 octahedra, and faces with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-47°. 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), one O(9), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Fe(7)O5F octahedra, corners with four equivalent Fe(5)O6 octahedra,  an edgeedge with one Fe(4)O5F octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. 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(1)O5F octahedra,  an edgeedge with one Fe(3)O5F octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. 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 corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Fe(6)O5F octahedra, corners with four equivalent Fe(8)O5F octahedra,  an edgeedge with one Fe(4)O5F octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-56°. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(14), one O(2), one O(3), one O(8), and one F(2) atom to form a mixture of corner and edge-sharing FeO5F octahedra. The corner-sharing octahedral tilt angles range from 43-53°. 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(1)O5F octahedra, corners with four equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(7)O5F octahedra,  an edgeedge with one Fe(8)O5F octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. In the sixth Fe site, Fe(6) is bonded to one O(11), one O(14), one O(2), one O(7), one O(8), and one F(1) atom to form a mixture of corner and edge-sharing FeO5F octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the seventh Fe site, Fe(7) is bonded to one O(11), one O(3), one O(5), one O(8), one O(9), and one F(2) atom to form FeO5F octahedra that share corners with four equivalent Fe(1)O5F octahedra, corners with four equivalent Fe(4)O5F 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 43-53°. 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(6)O5F octahedra,  an edgeedge with one Fe(5)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), 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 Fe(3), one Fe(4), and one Fe(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(7) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), 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 to one Mg(1), one Fe(2), one Fe(5), and one Fe(8) atom to form a mixture of distorted corner and edge-sharing OMgFe3 trigonal pyramids. 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 distorted trigonal planar geometry to one Fe(4), one Fe(6), and one Fe(7) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(5), and one Fe(7) atom. In the tenth O site, O(10) is bonded to one Mg(1), one Fe(2), one Fe(5), and one Fe(8) atom to form a mixture of distorted corner and edge-sharing OMgFe3 trigonal pyramids. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(6), and one Fe(7) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Fe(5) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(2), one Fe(3), and one Fe(8) atom. In the fourteenth O site, O(14) is bonded in a distorted 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 distorted trigonal planar geometry to one Fe(1), 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   4.836
_cell_length_b   4.820
_cell_length_c   11.832
_cell_angle_alpha   90.097
_cell_angle_beta   90.414
_cell_angle_gamma   90.579
_symmetry_Int_Tables_number   1
_cell_volume   275.788
_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  0.503  0.998  0.248  1.0
  Fe  Fe1  1  0.002  0.993  0.006  1.0
  Fe  Fe2  1  0.002  0.997  0.253  1.0
  Fe  Fe3  1  0.029  0.024  0.505  1.0
  Fe  Fe4  1  0.000  0.988  0.748  1.0
  Fe  Fe5  1  0.502  0.496  0.121  1.0
  Fe  Fe6  1  0.494  0.488  0.635  1.0
  Fe  Fe7  1  0.467  0.523  0.877  1.0
  Fe  Fe8  1  0.497  0.497  0.378  1.0
  O  O9  1  0.219  0.838  0.136  1.0
  O  O10  1  0.203  0.807  0.626  1.0
  O  O11  1  0.174  0.816  0.879  1.0
  O  O12  1  0.231  0.843  0.368  1.0
  O  O13  1  0.298  0.320  0.003  1.0
  O  O14  1  0.292  0.335  0.246  1.0
  O  O15  1  0.315  0.325  0.504  1.0
  O  O16  1  0.298  0.307  0.760  1.0
  O  O17  1  0.688  0.682  0.002  1.0
  O  O18  1  0.712  0.660  0.248  1.0
  O  O19  1  0.681  0.687  0.757  1.0
  O  O20  1  0.783  0.157  0.135  1.0
  O  O21  1  0.786  0.158  0.368  1.0
  O  O22  1  0.810  0.187  0.628  1.0
  F  F23  1  0.719  0.685  0.501  1.0
  F  F24  1  0.795  0.190  0.881  1.0
[/CIF]
.