The material described by MgFe10O9F11 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(1), two equivalent O(4), one F(6), and two equivalent F(3) atoms to form distorted MgO3F3 octahedra that share corners with four equivalent Fe(5)O3F3 octahedra and edges with four equivalent Fe(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 35-44°. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(5), one F(1), one F(2), one F(4), and one F(5) atom to form FeO2F4 octahedra that share corners with four equivalent Fe(5)O3F3 octahedra, corners with four equivalent Fe(4)O4F2 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra, and  an edgeedge with one Fe(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. In the second Fe site, Fe(2) is bonded to one O(3), one O(6), two equivalent F(1), and two equivalent F(4) atoms to form FeO2F4 octahedra that share corners with eight equivalent Fe(4)O4F2 octahedra and edges with two equivalent Fe(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the third Fe site, Fe(3) is bonded to one O(1), one O(4), one F(2), one F(3), one F(5), and one F(6) atom to form FeO2F4 octahedra that share corners with four equivalent Fe(5)O3F3 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-63°. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(3), one O(5), one O(6), one F(1), and one F(4) atom to form FeO4F2 octahedra that share corners with four equivalent Fe(1)O2F4 octahedra, corners with four equivalent Fe(2)O2F4 octahedra,  an edgeedge with one Fe(5)O3F3 octahedra, and  an edgeedge with one Fe(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the fifth Fe site, Fe(5) is bonded to one O(2), one O(4), one O(5), one F(2), one F(3), and one F(5) atom to form FeO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with four equivalent Fe(1)O2F4 octahedra, corners with four equivalent Fe(3)O2F4 octahedra, and  an edgeedge with one Fe(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 35-63°. In the sixth Fe site, Fe(6) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(4), one F(6), and two equivalent F(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Fe(6), and two equivalent Fe(3) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(4) atoms. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(3), one Fe(5), and one Fe(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(4) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(5) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(3), one Fe(5), and one Fe(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(3), and one Fe(5) atom. In the sixth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(6), and two equivalent Fe(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe10O9F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.878
_cell_length_b   4.896
_cell_length_c   15.427
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.153
_symmetry_Int_Tables_number   1
_cell_volume   366.926
_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  0.015  0.517  0.700  1.0
  Fe  Fe1  1  0.973  0.991  1.000  1.0
  Fe  Fe2  1  0.984  0.994  0.200  1.0
  Fe  Fe3  1  0.973  0.991  0.400  1.0
  Fe  Fe4  1  0.063  0.020  0.596  1.0
  Fe  Fe5  1  0.063  0.020  0.804  1.0
  Fe  Fe6  1  0.482  0.496  0.103  1.0
  Fe  Fe7  1  0.471  0.480  0.488  1.0
  Fe  Fe8  1  0.482  0.496  0.297  1.0
  Fe  Fe9  1  0.498  0.544  0.700  1.0
  Fe  Fe10  1  0.471  0.480  0.912  1.0
  O  O11  1  0.244  0.856  0.700  1.0
  O  O12  1  0.271  0.295  0.006  1.0
  O  O13  1  0.279  0.296  0.200  1.0
  O  O14  1  0.271  0.295  0.394  1.0
  O  O15  1  0.283  0.378  0.595  1.0
  O  O16  1  0.283  0.378  0.805  1.0
  O  O17  1  0.689  0.683  0.002  1.0
  O  O18  1  0.685  0.693  0.200  1.0
  O  O19  1  0.689  0.683  0.398  1.0
  F  F20  1  0.173  0.807  0.102  1.0
  F  F21  1  0.173  0.807  0.298  1.0
  F  F22  1  0.212  0.814  0.486  1.0
  F  F23  1  0.212  0.814  0.914  1.0
  F  F24  1  0.773  0.673  0.599  1.0
  F  F25  1  0.773  0.673  0.801  1.0
  F  F26  1  0.786  0.177  0.102  1.0
  F  F27  1  0.773  0.177  0.495  1.0
  F  F28  1  0.786  0.177  0.298  1.0
  F  F29  1  0.773  0.177  0.905  1.0
  F  F30  1  0.785  0.186  0.700  1.0
[/CIF]
.
The material described by MgFe10O9F11 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(1), two equivalent O(4), one F(6), and two equivalent F(3) atoms to form distorted MgO3F3 octahedra that share corners with four equivalent Fe(5)O3F3 octahedra and edges with four equivalent Fe(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 35-44°. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(5), one F(1), one F(2), one F(4), and one F(5) atom to form FeO2F4 octahedra that share corners with four equivalent Fe(5)O3F3 octahedra, corners with four equivalent Fe(4)O4F2 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra, and  an edgeedge with one Fe(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. In the second Fe site, Fe(2) is bonded to one O(3), one O(6), two equivalent F(1), and two equivalent F(4) atoms to form FeO2F4 octahedra that share corners with eight equivalent Fe(4)O4F2 octahedra and edges with two equivalent Fe(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the third Fe site, Fe(3) is bonded to one O(1), one O(4), one F(2), one F(3), one F(5), and one F(6) atom to form FeO2F4 octahedra that share corners with four equivalent Fe(5)O3F3 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-63°. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(3), one O(5), one O(6), one F(1), and one F(4) atom to form FeO4F2 octahedra that share corners with four equivalent Fe(1)O2F4 octahedra, corners with four equivalent Fe(2)O2F4 octahedra,  an edgeedge with one Fe(5)O3F3 octahedra, and  an edgeedge with one Fe(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the fifth Fe site, Fe(5) is bonded to one O(2), one O(4), one O(5), one F(2), one F(3), and one F(5) atom to form FeO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with four equivalent Fe(1)O2F4 octahedra, corners with four equivalent Fe(3)O2F4 octahedra, and  an edgeedge with one Fe(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 35-63°. In the sixth Fe site, Fe(6) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(4), one F(6), and two equivalent F(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Fe(6), and two equivalent Fe(3) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(4) atoms. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(3), one Fe(5), and one Fe(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(4) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(5) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(3), one Fe(5), and one Fe(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(3), and one Fe(5) atom. In the sixth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(6), and two equivalent Fe(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe10O9F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.878
_cell_length_b   4.896
_cell_length_c   15.427
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.153
_symmetry_Int_Tables_number   1
_cell_volume   366.926
_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  0.015  0.517  0.700  1.0
  Fe  Fe1  1  0.973  0.991  1.000  1.0
  Fe  Fe2  1  0.984  0.994  0.200  1.0
  Fe  Fe3  1  0.973  0.991  0.400  1.0
  Fe  Fe4  1  0.063  0.020  0.596  1.0
  Fe  Fe5  1  0.063  0.020  0.804  1.0
  Fe  Fe6  1  0.482  0.496  0.103  1.0
  Fe  Fe7  1  0.471  0.480  0.488  1.0
  Fe  Fe8  1  0.482  0.496  0.297  1.0
  Fe  Fe9  1  0.498  0.544  0.700  1.0
  Fe  Fe10  1  0.471  0.480  0.912  1.0
  O  O11  1  0.244  0.856  0.700  1.0
  O  O12  1  0.271  0.295  0.006  1.0
  O  O13  1  0.279  0.296  0.200  1.0
  O  O14  1  0.271  0.295  0.394  1.0
  O  O15  1  0.283  0.378  0.595  1.0
  O  O16  1  0.283  0.378  0.805  1.0
  O  O17  1  0.689  0.683  0.002  1.0
  O  O18  1  0.685  0.693  0.200  1.0
  O  O19  1  0.689  0.683  0.398  1.0
  F  F20  1  0.173  0.807  0.102  1.0
  F  F21  1  0.173  0.807  0.298  1.0
  F  F22  1  0.212  0.814  0.486  1.0
  F  F23  1  0.212  0.814  0.914  1.0
  F  F24  1  0.773  0.673  0.599  1.0
  F  F25  1  0.773  0.673  0.801  1.0
  F  F26  1  0.786  0.177  0.102  1.0
  F  F27  1  0.773  0.177  0.495  1.0
  F  F28  1  0.786  0.177  0.298  1.0
  F  F29  1  0.773  0.177  0.905  1.0
  F  F30  1  0.785  0.186  0.700  1.0
[/CIF]
.