The material described by MgFe6O11F crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one O(7), two equivalent O(4), and one F(1) atom. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(7), two equivalent O(4), and one F(1) atom to form FeO5F octahedra that share  an edgeedge with one Fe(3)O5F octahedra and  an edgeedge with one Fe(2)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(7), one O(8), and two equivalent O(5) atoms to form edge-sharing FeO6 octahedra. In the third Fe site, Fe(3) is bonded to one O(2), one O(3), one O(8), two equivalent O(6), and one F(1) atom to form FeO5F octahedra that share  an edgeedge with one Fe(1)O5F octahedra and  an edgeedge with one Fe(2)O6 octahedra. In the fourth Fe site, Fe(4) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(4), and two equivalent O(5) atoms. In the fifth Fe site, Fe(5) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(4), and two equivalent O(6) atoms. In the sixth Fe site, Fe(6) is bonded in a 5-coordinate geometry to one O(8), two equivalent O(5), and two equivalent O(6) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the second O site, O(2) is bonded in a water-like geometry to one Fe(2) and one Fe(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(5) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(4), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Mg(1), one Fe(1), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(3), and one Fe(6) atom. F(1) is bonded in a T-shaped geometry to one Mg(1), one Fe(1), and one Fe(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe6O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.172
_cell_length_b   5.172
_cell_length_c   8.774
_cell_angle_alpha   89.733
_cell_angle_beta   90.267
_cell_angle_gamma   104.548
_symmetry_Int_Tables_number   1
_cell_volume   227.141
_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  0.696  0.304  0.009  1.0
  Fe  Fe1  1  0.041  0.959  0.007  1.0
  Fe  Fe2  1  0.996  0.004  0.336  1.0
  Fe  Fe3  1  0.001  0.999  0.657  1.0
  Fe  Fe4  1  0.417  0.583  0.186  1.0
  Fe  Fe5  1  0.412  0.588  0.817  1.0
  Fe  Fe6  1  0.585  0.415  0.502  1.0
  O  O7  1  0.190  0.810  0.173  1.0
  O  O8  1  0.148  0.852  0.492  1.0
  O  O9  1  0.178  0.822  0.829  1.0
  O  O10  1  0.313  0.315  0.997  1.0
  O  O11  1  0.319  0.299  0.335  1.0
  O  O12  1  0.310  0.309  0.667  1.0
  O  O13  1  0.685  0.687  0.997  1.0
  O  O14  1  0.701  0.681  0.335  1.0
  O  O15  1  0.691  0.690  0.667  1.0
  O  O16  1  0.866  0.134  0.158  1.0
  O  O17  1  0.821  0.179  0.502  1.0
  F  F18  1  0.837  0.163  0.838  1.0
[/CIF]
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The material described by MgFe6O11F crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one O(7), two equivalent O(4), and one F(1) atom. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(7), two equivalent O(4), and one F(1) atom to form FeO5F octahedra that share  an edgeedge with one Fe(3)O5F octahedra and  an edgeedge with one Fe(2)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(7), one O(8), and two equivalent O(5) atoms to form edge-sharing FeO6 octahedra. In the third Fe site, Fe(3) is bonded to one O(2), one O(3), one O(8), two equivalent O(6), and one F(1) atom to form FeO5F octahedra that share  an edgeedge with one Fe(1)O5F octahedra and  an edgeedge with one Fe(2)O6 octahedra. In the fourth Fe site, Fe(4) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(4), and two equivalent O(5) atoms. In the fifth Fe site, Fe(5) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(4), and two equivalent O(6) atoms. In the sixth Fe site, Fe(6) is bonded in a 5-coordinate geometry to one O(8), two equivalent O(5), and two equivalent O(6) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the second O site, O(2) is bonded in a water-like geometry to one Fe(2) and one Fe(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(5) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(4), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Mg(1), one Fe(1), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(3), and one Fe(6) atom. F(1) is bonded in a T-shaped geometry to one Mg(1), one Fe(1), and one Fe(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe6O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.172
_cell_length_b   5.172
_cell_length_c   8.774
_cell_angle_alpha   89.733
_cell_angle_beta   90.267
_cell_angle_gamma   104.548
_symmetry_Int_Tables_number   1
_cell_volume   227.141
_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  0.696  0.304  0.009  1.0
  Fe  Fe1  1  0.041  0.959  0.007  1.0
  Fe  Fe2  1  0.996  0.004  0.336  1.0
  Fe  Fe3  1  0.001  0.999  0.657  1.0
  Fe  Fe4  1  0.417  0.583  0.186  1.0
  Fe  Fe5  1  0.412  0.588  0.817  1.0
  Fe  Fe6  1  0.585  0.415  0.502  1.0
  O  O7  1  0.190  0.810  0.173  1.0
  O  O8  1  0.148  0.852  0.492  1.0
  O  O9  1  0.178  0.822  0.829  1.0
  O  O10  1  0.313  0.315  0.997  1.0
  O  O11  1  0.319  0.299  0.335  1.0
  O  O12  1  0.310  0.309  0.667  1.0
  O  O13  1  0.685  0.687  0.997  1.0
  O  O14  1  0.701  0.681  0.335  1.0
  O  O15  1  0.691  0.690  0.667  1.0
  O  O16  1  0.866  0.134  0.158  1.0
  O  O17  1  0.821  0.179  0.502  1.0
  F  F18  1  0.837  0.163  0.838  1.0
[/CIF]
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