The material structure described by MgFe2O4 crystallizes in the orthorhombic Pbcm space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(1) atoms. Fe(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and three equivalent Fe(1) atoms to form distorted OMg2Fe3 trigonal bipyramids that share corners with five equivalent O(3)Mg2Fe2 tetrahedra, corners with two equivalent O(1)Mg2Fe3 trigonal bipyramids,  an edgeedge with one O(3)Mg2Fe2 tetrahedra, and edges with five equivalent O(1)Mg2Fe3 trigonal bipyramids. In the second O site, O(2) is bonded in a distorted square co-planar geometry to four equivalent Fe(1) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Fe(1) atoms to form OMg2Fe2 tetrahedra that share corners with two equivalent O(3)Mg2Fe2 tetrahedra, corners with ten equivalent O(1)Mg2Fe3 trigonal bipyramids, and edges with two equivalent O(1)Mg2Fe3 trigonal bipyramids. is represented by the CIF file [CIF]
data_Mg(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.927
_cell_length_b   9.730
_cell_length_c   9.918
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   282.435
_cell_formula_units_Z   4
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  0.276  0.861  0.750  1.0
  Mg  Mg1  1  0.724  0.139  0.250  1.0
  Mg  Mg2  1  0.276  0.639  0.250  1.0
  Mg  Mg3  1  0.724  0.361  0.750  1.0
  Fe  Fe4  1  0.241  0.383  0.426  1.0
  Fe  Fe5  1  0.759  0.883  0.074  1.0
  Fe  Fe6  1  0.241  0.117  0.574  1.0
  Fe  Fe7  1  0.241  0.117  0.926  1.0
  Fe  Fe8  1  0.759  0.617  0.574  1.0
  Fe  Fe9  1  0.759  0.617  0.926  1.0
  Fe  Fe10  1  0.759  0.883  0.426  1.0
  Fe  Fe11  1  0.241  0.383  0.074  1.0
  O  O12  1  0.745  0.522  0.385  1.0
  O  O13  1  0.255  0.022  0.115  1.0
  O  O14  1  0.259  0.750  0.500  1.0
  O  O15  1  0.255  0.478  0.885  1.0
  O  O16  1  0.745  0.978  0.885  1.0
  O  O17  1  0.773  0.787  0.250  1.0
  O  O18  1  0.227  0.213  0.750  1.0
  O  O19  1  0.745  0.978  0.615  1.0
  O  O20  1  0.741  0.250  0.500  1.0
  O  O21  1  0.255  0.478  0.615  1.0
  O  O22  1  0.259  0.750  0.000  1.0
  O  O23  1  0.255  0.022  0.385  1.0
  O  O24  1  0.227  0.287  0.250  1.0
  O  O25  1  0.741  0.250  0.000  1.0
  O  O26  1  0.745  0.522  0.115  1.0
  O  O27  1  0.773  0.713  0.750  1.0
[/CIF]
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The material structure described by MgFe2O4 crystallizes in the orthorhombic Pbcm space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(1) atoms. Fe(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and three equivalent Fe(1) atoms to form distorted OMg2Fe3 trigonal bipyramids that share corners with five equivalent O(3)Mg2Fe2 tetrahedra, corners with two equivalent O(1)Mg2Fe3 trigonal bipyramids,  an edgeedge with one O(3)Mg2Fe2 tetrahedra, and edges with five equivalent O(1)Mg2Fe3 trigonal bipyramids. In the second O site, O(2) is bonded in a distorted square co-planar geometry to four equivalent Fe(1) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Fe(1) atoms to form OMg2Fe2 tetrahedra that share corners with two equivalent O(3)Mg2Fe2 tetrahedra, corners with ten equivalent O(1)Mg2Fe3 trigonal bipyramids, and edges with two equivalent O(1)Mg2Fe3 trigonal bipyramids. is represented by the CIF file [CIF]
data_Mg(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.927
_cell_length_b   9.730
_cell_length_c   9.918
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   282.435
_cell_formula_units_Z   4
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  0.276  0.861  0.750  1.0
  Mg  Mg1  1  0.724  0.139  0.250  1.0
  Mg  Mg2  1  0.276  0.639  0.250  1.0
  Mg  Mg3  1  0.724  0.361  0.750  1.0
  Fe  Fe4  1  0.241  0.383  0.426  1.0
  Fe  Fe5  1  0.759  0.883  0.074  1.0
  Fe  Fe6  1  0.241  0.117  0.574  1.0
  Fe  Fe7  1  0.241  0.117  0.926  1.0
  Fe  Fe8  1  0.759  0.617  0.574  1.0
  Fe  Fe9  1  0.759  0.617  0.926  1.0
  Fe  Fe10  1  0.759  0.883  0.426  1.0
  Fe  Fe11  1  0.241  0.383  0.074  1.0
  O  O12  1  0.745  0.522  0.385  1.0
  O  O13  1  0.255  0.022  0.115  1.0
  O  O14  1  0.259  0.750  0.500  1.0
  O  O15  1  0.255  0.478  0.885  1.0
  O  O16  1  0.745  0.978  0.885  1.0
  O  O17  1  0.773  0.787  0.250  1.0
  O  O18  1  0.227  0.213  0.750  1.0
  O  O19  1  0.745  0.978  0.615  1.0
  O  O20  1  0.741  0.250  0.500  1.0
  O  O21  1  0.255  0.478  0.615  1.0
  O  O22  1  0.259  0.750  0.000  1.0
  O  O23  1  0.255  0.022  0.385  1.0
  O  O24  1  0.227  0.287  0.250  1.0
  O  O25  1  0.741  0.250  0.000  1.0
  O  O26  1  0.745  0.522  0.115  1.0
  O  O27  1  0.773  0.713  0.750  1.0
[/CIF]
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