The material described by MgFe10(O4F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(11), one O(16), one O(6), one O(9), and one F(2) atom to form MgO5F octahedra that share  a cornercorner with one Fe(1)O5F octahedra,  a cornercorner with one Fe(4)O5F octahedra, edges with two equivalent Fe(6)O5F octahedra, and edges with two equivalent Fe(8)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-45°. 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  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, and  an edgeedge with one Fe(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 42-56°. 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 in a 5-coordinate geometry to 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  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, and  an edgeedge with one Fe(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-58°. 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,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-53°. 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,  an edgeedge with one Fe(9)O4F2 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 48-58°. 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, and  an edgeedge with one Fe(10)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-54°. 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,  an edgeedge with one Fe(10)O5F octahedra,  an edgeedge with one Fe(6)O5F octahedra, and edges with two equivalent Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 48-56°. 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 44-53°. 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 a mixture of edge and corner-sharing FeO5F octahedra. The corner-sharing octahedral tilt angles range from 42-55°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), 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 in a distorted see-saw-like geometry to one Mg(1), 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 to one Mg(1), one Fe(2), one Fe(3), and one Fe(6) atom to form distorted OMgFe3 trigonal pyramids that share  a cornercorner with one F(2)MgFe3 trigonal pyramid,  an edgeedge with one O(11)MgFe3 trigonal pyramid, and  an edgeedge with one F(2)MgFe3 trigonal pyramid. 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 OMgFe3 trigonal pyramids that share corners with three equivalent F(2)MgFe3 trigonal pyramids and  an edgeedge with one O(9)MgFe3 trigonal pyramid. 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 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 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 3-coordinate 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 to one Mg(1), one Fe(2), one Fe(3), and one Fe(8) atom to form distorted FMgFe3 trigonal pyramids that share  a cornercorner with one O(9)MgFe3 trigonal pyramid, corners with three equivalent O(11)MgFe3 trigonal pyramids, and  an edgeedge with one O(9)MgFe3 trigonal pyramid. 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   4.946
_cell_length_b   12.924
_cell_length_c   5.598
_cell_angle_alpha   104.568
_cell_angle_beta   91.551
_cell_angle_gamma   88.877
_symmetry_Int_Tables_number   1
_cell_volume   346.152
_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  0.496  0.305  0.596  1.0
  Fe  Fe1  1  0.505  0.996  0.511  1.0
  Fe  Fe2  1  0.514  0.429  0.241  1.0
  Fe  Fe3  1  0.421  0.192  0.940  1.0
  Fe  Fe4  1  0.524  0.608  0.681  1.0
  Fe  Fe5  1  0.531  0.804  0.100  1.0
  Fe  Fe6  1  0.988  0.403  0.777  1.0
  Fe  Fe7  1  0.004  0.805  0.620  1.0
  Fe  Fe8  1  0.009  0.188  0.428  1.0
  Fe  Fe9  1  0.987  0.606  0.208  1.0
  Fe  Fe10  1  0.021  0.991  0.029  1.0
  O  O11  1  0.833  0.254  0.721  1.0
  O  O12  1  0.830  0.865  0.941  1.0
  O  O13  1  0.832  0.665  0.528  1.0
  O  O14  1  0.831  0.056  0.342  1.0
  O  O15  1  0.832  0.464  0.100  1.0
  O  O16  1  0.654  0.453  0.598  1.0
  O  O17  1  0.686  0.664  0.018  1.0
  O  O18  1  0.693  0.857  0.428  1.0
  O  O19  1  0.336  0.341  0.942  1.0
  O  O20  1  0.332  0.747  0.790  1.0
  O  O21  1  0.346  0.146  0.589  1.0
  O  O22  1  0.334  0.935  0.192  1.0
  O  O23  1  0.316  0.557  0.370  1.0
  O  O24  1  0.151  0.135  0.102  1.0
  O  O25  1  0.178  0.947  0.708  1.0
  O  O26  1  0.144  0.328  0.454  1.0
  F  F27  1  0.666  0.061  0.857  1.0
  F  F28  1  0.642  0.259  0.246  1.0
  F  F29  1  0.182  0.546  0.864  1.0
  F  F30  1  0.185  0.747  0.281  1.0
[/CIF]
.
The material described by MgFe10(O4F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(11), one O(16), one O(6), one O(9), and one F(2) atom to form MgO5F octahedra that share  a cornercorner with one Fe(1)O5F octahedra,  a cornercorner with one Fe(4)O5F octahedra, edges with two equivalent Fe(6)O5F octahedra, and edges with two equivalent Fe(8)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-45°. 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  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, and  an edgeedge with one Fe(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 42-56°. 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 in a 5-coordinate geometry to 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  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, and  an edgeedge with one Fe(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-58°. 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,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-53°. 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,  an edgeedge with one Fe(9)O4F2 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 48-58°. 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, and  an edgeedge with one Fe(10)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-54°. 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,  an edgeedge with one Fe(10)O5F octahedra,  an edgeedge with one Fe(6)O5F octahedra, and edges with two equivalent Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 48-56°. 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 44-53°. 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 a mixture of edge and corner-sharing FeO5F octahedra. The corner-sharing octahedral tilt angles range from 42-55°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), 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 in a distorted see-saw-like geometry to one Mg(1), 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 to one Mg(1), one Fe(2), one Fe(3), and one Fe(6) atom to form distorted OMgFe3 trigonal pyramids that share  a cornercorner with one F(2)MgFe3 trigonal pyramid,  an edgeedge with one O(11)MgFe3 trigonal pyramid, and  an edgeedge with one F(2)MgFe3 trigonal pyramid. 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 OMgFe3 trigonal pyramids that share corners with three equivalent F(2)MgFe3 trigonal pyramids and  an edgeedge with one O(9)MgFe3 trigonal pyramid. 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 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 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 3-coordinate 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 to one Mg(1), one Fe(2), one Fe(3), and one Fe(8) atom to form distorted FMgFe3 trigonal pyramids that share  a cornercorner with one O(9)MgFe3 trigonal pyramid, corners with three equivalent O(11)MgFe3 trigonal pyramids, and  an edgeedge with one O(9)MgFe3 trigonal pyramid. 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   4.946
_cell_length_b   12.924
_cell_length_c   5.598
_cell_angle_alpha   104.568
_cell_angle_beta   91.551
_cell_angle_gamma   88.877
_symmetry_Int_Tables_number   1
_cell_volume   346.152
_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  0.496  0.305  0.596  1.0
  Fe  Fe1  1  0.505  0.996  0.511  1.0
  Fe  Fe2  1  0.514  0.429  0.241  1.0
  Fe  Fe3  1  0.421  0.192  0.940  1.0
  Fe  Fe4  1  0.524  0.608  0.681  1.0
  Fe  Fe5  1  0.531  0.804  0.100  1.0
  Fe  Fe6  1  0.988  0.403  0.777  1.0
  Fe  Fe7  1  0.004  0.805  0.620  1.0
  Fe  Fe8  1  0.009  0.188  0.428  1.0
  Fe  Fe9  1  0.987  0.606  0.208  1.0
  Fe  Fe10  1  0.021  0.991  0.029  1.0
  O  O11  1  0.833  0.254  0.721  1.0
  O  O12  1  0.830  0.865  0.941  1.0
  O  O13  1  0.832  0.665  0.528  1.0
  O  O14  1  0.831  0.056  0.342  1.0
  O  O15  1  0.832  0.464  0.100  1.0
  O  O16  1  0.654  0.453  0.598  1.0
  O  O17  1  0.686  0.664  0.018  1.0
  O  O18  1  0.693  0.857  0.428  1.0
  O  O19  1  0.336  0.341  0.942  1.0
  O  O20  1  0.332  0.747  0.790  1.0
  O  O21  1  0.346  0.146  0.589  1.0
  O  O22  1  0.334  0.935  0.192  1.0
  O  O23  1  0.316  0.557  0.370  1.0
  O  O24  1  0.151  0.135  0.102  1.0
  O  O25  1  0.178  0.947  0.708  1.0
  O  O26  1  0.144  0.328  0.454  1.0
  F  F27  1  0.666  0.061  0.857  1.0
  F  F28  1  0.642  0.259  0.246  1.0
  F  F29  1  0.182  0.546  0.864  1.0
  F  F30  1  0.185  0.747  0.281  1.0
[/CIF]
.