The compound described by MgFe10(O4F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(11), one O(12), one O(14), one O(4), one F(1), and one F(2) atom to form MgO4F2 octahedra that share  a cornercorner with one Fe(2)O5F octahedra,  a cornercorner with one Fe(5)O5F octahedra, edges with two equivalent Fe(10)O5F octahedra, and edges with two equivalent Fe(8)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-48°. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(15), one O(4), one O(8), and one F(1) atom. In the second Fe site, Fe(2) is bonded to one O(13), one O(16), one O(5), one O(6), one O(9), and one F(2) atom to form FeO5F octahedra that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent Fe(9)O4F2 octahedra, corners with two equivalent Fe(8)O5F octahedra, corners with four equivalent Fe(6)O5F octahedra, and  an edgeedge with one Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-59°. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(14), one O(9), one F(1), and one F(2) atom. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(13), one O(3), one O(6), one O(7), and one F(3) atom to form FeO5F octahedra that share corners with two equivalent Fe(6)O5F octahedra, corners with two equivalent Fe(7)O5F octahedra, corners with four equivalent Fe(9)O4F2 octahedra,  an edgeedge with one Fe(2)O5F octahedra, and  an edgeedge with one Fe(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 42-55°. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(12), one O(2), one O(7), one O(8), and one F(4) atom to form FeO5F octahedra that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent Fe(9)O4F2 octahedra, corners with two equivalent Fe(10)O5F octahedra, corners with four equivalent Fe(7)O5F octahedra, and  an edgeedge with one Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(16), one O(5), one O(6), one O(9), and one F(3) atom to form FeO5F octahedra that share corners with two equivalent Fe(4)O5F octahedra, corners with four equivalent Fe(2)O5F octahedra,  an edgeedge with one Fe(9)O4F2 octahedra, and  an edgeedge with one Fe(8)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-52°. In the seventh Fe site, Fe(7) is bonded to one O(10), one O(15), one O(2), one O(3), one O(8), and one F(4) atom to form FeO5F octahedra that share corners with two equivalent Fe(4)O5F octahedra, corners with four equivalent Fe(5)O5F octahedra,  an edgeedge with one Fe(9)O4F2 octahedra, and  an edgeedge with one Fe(10)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the eighth Fe site, Fe(8) is bonded to one O(1), one O(11), one O(14), one O(16), one O(4), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(2)O5F octahedra,  an edgeedge with one Fe(10)O5F octahedra,  an edgeedge with one Fe(6)O5F octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-59°. In the ninth Fe site, Fe(9) is bonded to one O(13), one O(3), one O(5), one O(7), one F(3), and one F(4) atom to form a mixture of edge and corner-sharing FeO4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. In the tenth Fe site, Fe(10) is bonded to one O(12), one O(14), one O(15), one O(2), one O(4), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(5)O5F octahedra,  an edgeedge with one Fe(7)O5F octahedra,  an edgeedge with one Fe(8)O5F octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(6), and one Fe(8) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(5), and one Fe(7) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(4), one Fe(7), and one Fe(9) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), one Fe(10), and one Fe(8) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(6), and one Fe(9) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(5), and one Fe(9) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(5), and one Fe(7) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(6) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(5), and one Fe(7) atom. In the eleventh O site, O(11) is bonded to one Mg(1), one Fe(1), one Fe(3), and one Fe(8) atom to form distorted edge-sharing OMgFe3 trigonal pyramids. In the twelfth O site, O(12) is bonded to one Mg(1), one Fe(1), one Fe(10), and one Fe(5) atom to form distorted edge-sharing OMgFe3 trigonal pyramids. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(9) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(10), one Fe(3), and one Fe(8) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(7) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(6), and one Fe(8) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), one Fe(10), and one Fe(3) atom. In the second F site, F(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Fe(2), one Fe(3), and one Fe(8) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(6), and one Fe(9) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Fe(5), one Fe(7), and one Fe(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe10(O4F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.907
_cell_length_b   12.966
_cell_length_c   5.558
_cell_angle_alpha   103.343
_cell_angle_beta   90.663
_cell_angle_gamma   89.952
_symmetry_Int_Tables_number   1
_cell_volume   344.039
_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  0.520  0.099  0.199  1.0
  Fe  Fe1  1  0.484  0.980  0.542  1.0
  Fe  Fe2  1  0.471  0.415  0.300  1.0
  Fe  Fe3  1  0.477  0.227  0.838  1.0
  Fe  Fe4  1  0.508  0.608  0.696  1.0
  Fe  Fe5  1  0.530  0.802  0.106  1.0
  Fe  Fe6  1  0.974  0.403  0.790  1.0
  Fe  Fe7  1  0.997  0.798  0.625  1.0
  Fe  Fe8  1  0.033  0.202  0.404  1.0
  Fe  Fe9  1  0.967  0.596  0.217  1.0
  Fe  Fe10  1  0.033  0.992  0.028  1.0
  O  O11  1  0.812  0.260  0.695  1.0
  O  O12  1  0.832  0.865  0.950  1.0
  O  O13  1  0.818  0.665  0.532  1.0
  O  O14  1  0.859  0.058  0.329  1.0
  O  O15  1  0.795  0.457  0.118  1.0
  O  O16  1  0.670  0.468  0.618  1.0
  O  O17  1  0.678  0.659  0.020  1.0
  O  O18  1  0.692  0.853  0.442  1.0
  O  O19  1  0.297  0.353  0.980  1.0
  O  O20  1  0.323  0.743  0.790  1.0
  O  O21  1  0.352  0.133  0.543  1.0
  O  O22  1  0.360  0.946  0.192  1.0
  O  O23  1  0.299  0.553  0.396  1.0
  O  O24  1  0.177  0.138  0.062  1.0
  O  O25  1  0.178  0.939  0.706  1.0
  O  O26  1  0.193  0.340  0.474  1.0
  F  F27  1  0.671  0.063  0.854  1.0
  F  F28  1  0.663  0.246  0.194  1.0
  F  F29  1  0.168  0.547  0.888  1.0
  F  F30  1  0.182  0.746  0.283  1.0
[/CIF]
.
The compound described by MgFe10(O4F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(11), one O(12), one O(14), one O(4), one F(1), and one F(2) atom to form MgO4F2 octahedra that share  a cornercorner with one Fe(2)O5F octahedra,  a cornercorner with one Fe(5)O5F octahedra, edges with two equivalent Fe(10)O5F octahedra, and edges with two equivalent Fe(8)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-48°. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(15), one O(4), one O(8), and one F(1) atom. In the second Fe site, Fe(2) is bonded to one O(13), one O(16), one O(5), one O(6), one O(9), and one F(2) atom to form FeO5F octahedra that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent Fe(9)O4F2 octahedra, corners with two equivalent Fe(8)O5F octahedra, corners with four equivalent Fe(6)O5F octahedra, and  an edgeedge with one Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-59°. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(14), one O(9), one F(1), and one F(2) atom. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(13), one O(3), one O(6), one O(7), and one F(3) atom to form FeO5F octahedra that share corners with two equivalent Fe(6)O5F octahedra, corners with two equivalent Fe(7)O5F octahedra, corners with four equivalent Fe(9)O4F2 octahedra,  an edgeedge with one Fe(2)O5F octahedra, and  an edgeedge with one Fe(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 42-55°. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(12), one O(2), one O(7), one O(8), and one F(4) atom to form FeO5F octahedra that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent Fe(9)O4F2 octahedra, corners with two equivalent Fe(10)O5F octahedra, corners with four equivalent Fe(7)O5F octahedra, and  an edgeedge with one Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(16), one O(5), one O(6), one O(9), and one F(3) atom to form FeO5F octahedra that share corners with two equivalent Fe(4)O5F octahedra, corners with four equivalent Fe(2)O5F octahedra,  an edgeedge with one Fe(9)O4F2 octahedra, and  an edgeedge with one Fe(8)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-52°. In the seventh Fe site, Fe(7) is bonded to one O(10), one O(15), one O(2), one O(3), one O(8), and one F(4) atom to form FeO5F octahedra that share corners with two equivalent Fe(4)O5F octahedra, corners with four equivalent Fe(5)O5F octahedra,  an edgeedge with one Fe(9)O4F2 octahedra, and  an edgeedge with one Fe(10)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the eighth Fe site, Fe(8) is bonded to one O(1), one O(11), one O(14), one O(16), one O(4), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(2)O5F octahedra,  an edgeedge with one Fe(10)O5F octahedra,  an edgeedge with one Fe(6)O5F octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-59°. In the ninth Fe site, Fe(9) is bonded to one O(13), one O(3), one O(5), one O(7), one F(3), and one F(4) atom to form a mixture of edge and corner-sharing FeO4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. In the tenth Fe site, Fe(10) is bonded to one O(12), one O(14), one O(15), one O(2), one O(4), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(5)O5F octahedra,  an edgeedge with one Fe(7)O5F octahedra,  an edgeedge with one Fe(8)O5F octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(6), and one Fe(8) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(5), and one Fe(7) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(4), one Fe(7), and one Fe(9) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), one Fe(10), and one Fe(8) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(6), and one Fe(9) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(5), and one Fe(9) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(5), and one Fe(7) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(6) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(5), and one Fe(7) atom. In the eleventh O site, O(11) is bonded to one Mg(1), one Fe(1), one Fe(3), and one Fe(8) atom to form distorted edge-sharing OMgFe3 trigonal pyramids. In the twelfth O site, O(12) is bonded to one Mg(1), one Fe(1), one Fe(10), and one Fe(5) atom to form distorted edge-sharing OMgFe3 trigonal pyramids. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(9) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(10), one Fe(3), and one Fe(8) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(7) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(6), and one Fe(8) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), one Fe(10), and one Fe(3) atom. In the second F site, F(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Fe(2), one Fe(3), and one Fe(8) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(6), and one Fe(9) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Fe(5), one Fe(7), and one Fe(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe10(O4F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.907
_cell_length_b   12.966
_cell_length_c   5.558
_cell_angle_alpha   103.343
_cell_angle_beta   90.663
_cell_angle_gamma   89.952
_symmetry_Int_Tables_number   1
_cell_volume   344.039
_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  0.520  0.099  0.199  1.0
  Fe  Fe1  1  0.484  0.980  0.542  1.0
  Fe  Fe2  1  0.471  0.415  0.300  1.0
  Fe  Fe3  1  0.477  0.227  0.838  1.0
  Fe  Fe4  1  0.508  0.608  0.696  1.0
  Fe  Fe5  1  0.530  0.802  0.106  1.0
  Fe  Fe6  1  0.974  0.403  0.790  1.0
  Fe  Fe7  1  0.997  0.798  0.625  1.0
  Fe  Fe8  1  0.033  0.202  0.404  1.0
  Fe  Fe9  1  0.967  0.596  0.217  1.0
  Fe  Fe10  1  0.033  0.992  0.028  1.0
  O  O11  1  0.812  0.260  0.695  1.0
  O  O12  1  0.832  0.865  0.950  1.0
  O  O13  1  0.818  0.665  0.532  1.0
  O  O14  1  0.859  0.058  0.329  1.0
  O  O15  1  0.795  0.457  0.118  1.0
  O  O16  1  0.670  0.468  0.618  1.0
  O  O17  1  0.678  0.659  0.020  1.0
  O  O18  1  0.692  0.853  0.442  1.0
  O  O19  1  0.297  0.353  0.980  1.0
  O  O20  1  0.323  0.743  0.790  1.0
  O  O21  1  0.352  0.133  0.543  1.0
  O  O22  1  0.360  0.946  0.192  1.0
  O  O23  1  0.299  0.553  0.396  1.0
  O  O24  1  0.177  0.138  0.062  1.0
  O  O25  1  0.178  0.939  0.706  1.0
  O  O26  1  0.193  0.340  0.474  1.0
  F  F27  1  0.671  0.063  0.854  1.0
  F  F28  1  0.663  0.246  0.194  1.0
  F  F29  1  0.168  0.547  0.888  1.0
  F  F30  1  0.182  0.746  0.283  1.0
[/CIF]
.