The material described by MgFe10(O4F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(12), one O(15), one O(2), one O(8), and one F(1) atom to form MgO5F octahedra that share  a cornercorner with one Fe(3)O4F2 octahedra,  a cornercorner with one Fe(1)O5F octahedra,  a cornercorner with one Fe(4)O5F octahedra,  a cornercorner with one Fe(5)O5F octahedra, edges with two equivalent Fe(10)O5F octahedra, edges with two equivalent Fe(7)O5F octahedra,  a faceface with one Fe(1)O5F octahedra, and  a faceface with one Fe(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-50°. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(12), one O(15), one O(4), one O(8), and one F(1) atom to form distorted FeO5F octahedra that share  a cornercorner with one Mg(1)O5F octahedra, corners with two equivalent Fe(7)O5F octahedra, corners with two equivalent Fe(8)O5F octahedra, corners with four equivalent Fe(10)O5F octahedra,  an edgeedge with one Fe(3)O4F2 octahedra,  an edgeedge with one Fe(5)O5F octahedra, and  a faceface with one Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 38-63°. 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 corners with two equivalent Fe(9)O4F2 octahedra, corners with two equivalent Fe(8)O5F octahedra, corners with four equivalent Fe(6)O5F octahedra,  an edgeedge with one Fe(3)O4F2 octahedra, and  an edgeedge with one Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-57°. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(14), one O(9), one F(1), and one F(2) atom to form FeO4F2 octahedra that share  a cornercorner with one Mg(1)O5F octahedra, corners with two equivalent Fe(10)O5F octahedra, corners with two equivalent Fe(6)O5F octahedra, corners with four equivalent Fe(8)O5F octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 41-57°. 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  a cornercorner with one Mg(1)O5F octahedra, 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 42-57°. 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 distorted FeO5F octahedra that share  a cornercorner with one Mg(1)O5F 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,  an edgeedge with one Fe(1)O5F octahedra,  an edgeedge with one Fe(4)O5F octahedra, and  a faceface with one Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 36-62°. 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(3)O4F2 octahedra, 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 45-57°. 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(1)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with four equivalent Fe(5)O5F octahedra,  an edgeedge with one Fe(9)O4F2 octahedra,  an edgeedge with one Fe(10)O5F octahedra, and edges with two equivalent Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 38-62°. 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(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with four equivalent Fe(3)O4F2 octahedra,  an edgeedge with one Fe(10)O5F octahedra, and  an edgeedge with one Fe(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 41-57°. 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 corner and edge-sharing FeO4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. 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(3)O4F2 octahedra, corners with two equivalent Fe(5)O5F octahedra, corners with four equivalent Fe(1)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)O5F octahedra. The corner-sharing octahedral tilt angles range from 36-63°. 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 to one Mg(1), one Fe(10), one Fe(5), and one Fe(7) atom to form a mixture of corner and edge-sharing OMgFe3 trigonal pyramids. 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 trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(8) atom. In the fifth O site, O(5) is bonded in a 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 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 see-saw-like geometry to one Mg(1), 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 rectangular see-saw-like geometry to one Mg(1), one Fe(4), one Fe(5), and one Fe(7) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(8) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(10), and one Fe(5) atom. 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 trigonal planar geometry to one Fe(10), one Fe(3), and one Fe(8) atom. In the fifteenth O site, O(15) is bonded to one Mg(1), one Fe(1), one Fe(10), and one Fe(7) atom to form a mixture of distorted corner and edge-sharing OMgFe3 trigonal pyramids. 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 rectangular see-saw-like 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 trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(8) atom. In the third F site, F(3) is bonded in a distorted T-shaped 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 trigonal planar geometry to one Fe(5), one Fe(7), and one Fe(9) atom. is represented by the CIF file [CIF]
data_MgFe10(O4F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.854
_cell_length_b   12.969
_cell_length_c   5.555
_cell_angle_alpha   103.354
_cell_angle_beta   89.681
_cell_angle_gamma   90.371
_symmetry_Int_Tables_number   1
_cell_volume   340.216
_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  0.515  0.899  0.800  1.0
  Fe  Fe1  1  0.508  0.012  0.448  1.0
  Fe  Fe2  1  0.472  0.409  0.305  1.0
  Fe  Fe3  1  0.468  0.212  0.883  1.0
  Fe  Fe4  1  0.516  0.607  0.701  1.0
  Fe  Fe5  1  0.544  0.790  0.146  1.0
  Fe  Fe6  1  0.970  0.397  0.799  1.0
  Fe  Fe7  1  0.012  0.799  0.626  1.0
  Fe  Fe8  1  0.016  0.203  0.405  1.0
  Fe  Fe9  1  0.973  0.589  0.222  1.0
  Fe  Fe10  1  0.032  0.003  0.012  1.0
  O  O11  1  0.802  0.255  0.706  1.0
  O  O12  1  0.847  0.863  0.954  1.0
  O  O13  1  0.816  0.666  0.527  1.0
  O  O14  1  0.833  0.066  0.312  1.0
  O  O15  1  0.794  0.454  0.119  1.0
  O  O16  1  0.671  0.465  0.621  1.0
  O  O17  1  0.692  0.652  0.025  1.0
  O  O18  1  0.680  0.868  0.461  1.0
  O  O19  1  0.294  0.348  0.987  1.0
  O  O20  1  0.348  0.748  0.788  1.0
  O  O21  1  0.320  0.142  0.569  1.0
  O  O22  1  0.351  0.936  0.147  1.0
  O  O23  1  0.299  0.548  0.400  1.0
  O  O24  1  0.183  0.145  0.075  1.0
  O  O25  1  0.177  0.946  0.679  1.0
  O  O26  1  0.173  0.341  0.480  1.0
  F  F27  1  0.669  0.052  0.823  1.0
  F  F28  1  0.672  0.260  0.210  1.0
  F  F29  1  0.177  0.543  0.892  1.0
  F  F30  1  0.190  0.742  0.284  1.0
[/CIF]
.
The material described by MgFe10(O4F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(12), one O(15), one O(2), one O(8), and one F(1) atom to form MgO5F octahedra that share  a cornercorner with one Fe(3)O4F2 octahedra,  a cornercorner with one Fe(1)O5F octahedra,  a cornercorner with one Fe(4)O5F octahedra,  a cornercorner with one Fe(5)O5F octahedra, edges with two equivalent Fe(10)O5F octahedra, edges with two equivalent Fe(7)O5F octahedra,  a faceface with one Fe(1)O5F octahedra, and  a faceface with one Fe(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-50°. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(12), one O(15), one O(4), one O(8), and one F(1) atom to form distorted FeO5F octahedra that share  a cornercorner with one Mg(1)O5F octahedra, corners with two equivalent Fe(7)O5F octahedra, corners with two equivalent Fe(8)O5F octahedra, corners with four equivalent Fe(10)O5F octahedra,  an edgeedge with one Fe(3)O4F2 octahedra,  an edgeedge with one Fe(5)O5F octahedra, and  a faceface with one Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 38-63°. 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 corners with two equivalent Fe(9)O4F2 octahedra, corners with two equivalent Fe(8)O5F octahedra, corners with four equivalent Fe(6)O5F octahedra,  an edgeedge with one Fe(3)O4F2 octahedra, and  an edgeedge with one Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-57°. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(14), one O(9), one F(1), and one F(2) atom to form FeO4F2 octahedra that share  a cornercorner with one Mg(1)O5F octahedra, corners with two equivalent Fe(10)O5F octahedra, corners with two equivalent Fe(6)O5F octahedra, corners with four equivalent Fe(8)O5F octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 41-57°. 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  a cornercorner with one Mg(1)O5F octahedra, 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 42-57°. 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 distorted FeO5F octahedra that share  a cornercorner with one Mg(1)O5F 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,  an edgeedge with one Fe(1)O5F octahedra,  an edgeedge with one Fe(4)O5F octahedra, and  a faceface with one Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 36-62°. 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(3)O4F2 octahedra, 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 45-57°. 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(1)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with four equivalent Fe(5)O5F octahedra,  an edgeedge with one Fe(9)O4F2 octahedra,  an edgeedge with one Fe(10)O5F octahedra, and edges with two equivalent Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 38-62°. 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(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with four equivalent Fe(3)O4F2 octahedra,  an edgeedge with one Fe(10)O5F octahedra, and  an edgeedge with one Fe(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 41-57°. 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 corner and edge-sharing FeO4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. 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(3)O4F2 octahedra, corners with two equivalent Fe(5)O5F octahedra, corners with four equivalent Fe(1)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)O5F octahedra. The corner-sharing octahedral tilt angles range from 36-63°. 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 to one Mg(1), one Fe(10), one Fe(5), and one Fe(7) atom to form a mixture of corner and edge-sharing OMgFe3 trigonal pyramids. 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 trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(8) atom. In the fifth O site, O(5) is bonded in a 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 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 see-saw-like geometry to one Mg(1), 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 rectangular see-saw-like geometry to one Mg(1), one Fe(4), one Fe(5), and one Fe(7) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(8) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(10), and one Fe(5) atom. 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 trigonal planar geometry to one Fe(10), one Fe(3), and one Fe(8) atom. In the fifteenth O site, O(15) is bonded to one Mg(1), one Fe(1), one Fe(10), and one Fe(7) atom to form a mixture of distorted corner and edge-sharing OMgFe3 trigonal pyramids. 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 rectangular see-saw-like 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 trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(8) atom. In the third F site, F(3) is bonded in a distorted T-shaped 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 trigonal planar geometry to one Fe(5), one Fe(7), and one Fe(9) atom. is represented by the CIF file [CIF]
data_MgFe10(O4F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.854
_cell_length_b   12.969
_cell_length_c   5.555
_cell_angle_alpha   103.354
_cell_angle_beta   89.681
_cell_angle_gamma   90.371
_symmetry_Int_Tables_number   1
_cell_volume   340.216
_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  0.515  0.899  0.800  1.0
  Fe  Fe1  1  0.508  0.012  0.448  1.0
  Fe  Fe2  1  0.472  0.409  0.305  1.0
  Fe  Fe3  1  0.468  0.212  0.883  1.0
  Fe  Fe4  1  0.516  0.607  0.701  1.0
  Fe  Fe5  1  0.544  0.790  0.146  1.0
  Fe  Fe6  1  0.970  0.397  0.799  1.0
  Fe  Fe7  1  0.012  0.799  0.626  1.0
  Fe  Fe8  1  0.016  0.203  0.405  1.0
  Fe  Fe9  1  0.973  0.589  0.222  1.0
  Fe  Fe10  1  0.032  0.003  0.012  1.0
  O  O11  1  0.802  0.255  0.706  1.0
  O  O12  1  0.847  0.863  0.954  1.0
  O  O13  1  0.816  0.666  0.527  1.0
  O  O14  1  0.833  0.066  0.312  1.0
  O  O15  1  0.794  0.454  0.119  1.0
  O  O16  1  0.671  0.465  0.621  1.0
  O  O17  1  0.692  0.652  0.025  1.0
  O  O18  1  0.680  0.868  0.461  1.0
  O  O19  1  0.294  0.348  0.987  1.0
  O  O20  1  0.348  0.748  0.788  1.0
  O  O21  1  0.320  0.142  0.569  1.0
  O  O22  1  0.351  0.936  0.147  1.0
  O  O23  1  0.299  0.548  0.400  1.0
  O  O24  1  0.183  0.145  0.075  1.0
  O  O25  1  0.177  0.946  0.679  1.0
  O  O26  1  0.173  0.341  0.480  1.0
  F  F27  1  0.669  0.052  0.823  1.0
  F  F28  1  0.672  0.260  0.210  1.0
  F  F29  1  0.177  0.543  0.892  1.0
  F  F30  1  0.190  0.742  0.284  1.0
[/CIF]
.