The material structure described by MgFe10(O4F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(13), one O(16), one O(6), one O(9), and one F(3) atom. 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 FeO5F octahedra that share 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, and  an edgeedge with one Fe(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(13), one O(5), one O(6), one O(9), and one F(2) atom. 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 a mixture of corner and edge-sharing FeO4F2 octahedra. The corner-sharing octahedral tilt angles range from 33-57°. In the fourth Fe site, Fe(4) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(3), one O(6), one O(7), and one F(3) atom. 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 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(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the sixth Fe site, Fe(6) is bonded in a 5-coordinate geometry to one O(1), one O(16), one O(5), one O(6), and one O(9) atom. 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 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 46-53°. 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 four equivalent Fe(3)O4F2 octahedra, and  an edgeedge with one Fe(10)O5F octahedra. The corner-sharing octahedral tilt angles range from 33-57°. 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 46-49°. 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, and  an edgeedge with one Fe(8)O5F 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 distorted 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 to one Mg(1), one Fe(2), one Fe(4), and one Fe(6) atom to form corner-sharing OMgFe3 trigonal pyramids. 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 to one Mg(1), one Fe(2), one Fe(3), and one Fe(6) atom to form distorted corner-sharing OMgFe3 tetrahedra. 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 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 trigonal planar geometry to one Fe(1), one Fe(10), 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(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 in a distorted 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 T-shaped geometry to one Mg(1), 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 distorted trigonal planar geometry to 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 3-coordinate geometry to one Mg(1), one Fe(4), and one Fe(9) atom. In the fourth F site, F(4) is bonded in a 3-coordinate 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   4.910
_cell_length_b   13.078
_cell_length_c   5.624
_cell_angle_alpha   103.672
_cell_angle_beta   93.053
_cell_angle_gamma   87.160
_symmetry_Int_Tables_number   1
_cell_volume   350.153
_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  0.320  0.436  0.687  1.0
  Fe  Fe1  1  0.491  0.993  0.495  1.0
  Fe  Fe2  1  0.534  0.420  0.250  1.0
  Fe  Fe3  1  0.429  0.198  0.892  1.0
  Fe  Fe4  1  0.567  0.622  0.680  1.0
  Fe  Fe5  1  0.553  0.809  0.086  1.0
  Fe  Fe6  1  0.891  0.364  0.802  1.0
  Fe  Fe7  1  0.020  0.808  0.611  1.0
  Fe  Fe8  1  0.981  0.185  0.405  1.0
  Fe  Fe9  1  0.008  0.604  0.213  1.0
  Fe  Fe10  1  0.022  0.998  0.005  1.0
  O  O11  1  0.747  0.232  0.702  1.0
  O  O12  1  0.840  0.871  0.922  1.0
  O  O13  1  0.849  0.672  0.520  1.0
  O  O14  1  0.811  0.056  0.300  1.0
  O  O15  1  0.819  0.468  0.104  1.0
  O  O16  1  0.688  0.461  0.616  1.0
  O  O17  1  0.723  0.673  0.017  1.0
  O  O18  1  0.708  0.860  0.411  1.0
  O  O19  1  0.303  0.352  0.953  1.0
  O  O20  1  0.350  0.753  0.785  1.0
  O  O21  1  0.282  0.126  0.579  1.0
  O  O22  1  0.332  0.934  0.174  1.0
  O  O23  1  0.305  0.539  0.412  1.0
  O  O24  1  0.159  0.138  0.083  1.0
  O  O25  1  0.185  0.945  0.688  1.0
  O  O26  1  0.103  0.323  0.494  1.0
  F  F27  1  0.669  0.057  0.825  1.0
  F  F28  1  0.644  0.263  0.212  1.0
  F  F29  1  0.229  0.563  0.914  1.0
  F  F30  1  0.217  0.741  0.291  1.0
[/CIF]
.
The material structure described by MgFe10(O4F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(13), one O(16), one O(6), one O(9), and one F(3) atom. 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 FeO5F octahedra that share 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, and  an edgeedge with one Fe(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(13), one O(5), one O(6), one O(9), and one F(2) atom. 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 a mixture of corner and edge-sharing FeO4F2 octahedra. The corner-sharing octahedral tilt angles range from 33-57°. In the fourth Fe site, Fe(4) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(3), one O(6), one O(7), and one F(3) atom. 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 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(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the sixth Fe site, Fe(6) is bonded in a 5-coordinate geometry to one O(1), one O(16), one O(5), one O(6), and one O(9) atom. 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 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 46-53°. 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 four equivalent Fe(3)O4F2 octahedra, and  an edgeedge with one Fe(10)O5F octahedra. The corner-sharing octahedral tilt angles range from 33-57°. 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 46-49°. 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, and  an edgeedge with one Fe(8)O5F 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 distorted 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 to one Mg(1), one Fe(2), one Fe(4), and one Fe(6) atom to form corner-sharing OMgFe3 trigonal pyramids. 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 to one Mg(1), one Fe(2), one Fe(3), and one Fe(6) atom to form distorted corner-sharing OMgFe3 tetrahedra. 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 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 trigonal planar geometry to one Fe(1), one Fe(10), 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(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 in a distorted 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 T-shaped geometry to one Mg(1), 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 distorted trigonal planar geometry to 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 3-coordinate geometry to one Mg(1), one Fe(4), and one Fe(9) atom. In the fourth F site, F(4) is bonded in a 3-coordinate 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   4.910
_cell_length_b   13.078
_cell_length_c   5.624
_cell_angle_alpha   103.672
_cell_angle_beta   93.053
_cell_angle_gamma   87.160
_symmetry_Int_Tables_number   1
_cell_volume   350.153
_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  0.320  0.436  0.687  1.0
  Fe  Fe1  1  0.491  0.993  0.495  1.0
  Fe  Fe2  1  0.534  0.420  0.250  1.0
  Fe  Fe3  1  0.429  0.198  0.892  1.0
  Fe  Fe4  1  0.567  0.622  0.680  1.0
  Fe  Fe5  1  0.553  0.809  0.086  1.0
  Fe  Fe6  1  0.891  0.364  0.802  1.0
  Fe  Fe7  1  0.020  0.808  0.611  1.0
  Fe  Fe8  1  0.981  0.185  0.405  1.0
  Fe  Fe9  1  0.008  0.604  0.213  1.0
  Fe  Fe10  1  0.022  0.998  0.005  1.0
  O  O11  1  0.747  0.232  0.702  1.0
  O  O12  1  0.840  0.871  0.922  1.0
  O  O13  1  0.849  0.672  0.520  1.0
  O  O14  1  0.811  0.056  0.300  1.0
  O  O15  1  0.819  0.468  0.104  1.0
  O  O16  1  0.688  0.461  0.616  1.0
  O  O17  1  0.723  0.673  0.017  1.0
  O  O18  1  0.708  0.860  0.411  1.0
  O  O19  1  0.303  0.352  0.953  1.0
  O  O20  1  0.350  0.753  0.785  1.0
  O  O21  1  0.282  0.126  0.579  1.0
  O  O22  1  0.332  0.934  0.174  1.0
  O  O23  1  0.305  0.539  0.412  1.0
  O  O24  1  0.159  0.138  0.083  1.0
  O  O25  1  0.185  0.945  0.688  1.0
  O  O26  1  0.103  0.323  0.494  1.0
  F  F27  1  0.669  0.057  0.825  1.0
  F  F28  1  0.644  0.263  0.212  1.0
  F  F29  1  0.229  0.563  0.914  1.0
  F  F30  1  0.217  0.741  0.291  1.0
[/CIF]
.