The material described by MgFe2O4 crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Fe(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share edges with two equivalent Fe(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(2), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), one Fe(1), and two equivalent Fe(2) atoms to form a mixture of corner and edge-sharing OMg2Fe3 square pyramids. is represented by the CIF card [CIF]
data_Mg(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.966
_cell_length_b   5.966
_cell_length_c   5.966
_cell_angle_alpha   118.661
_cell_angle_beta   118.469
_cell_angle_gamma   92.504
_symmetry_Int_Tables_number   1
_cell_volume   153.266
_cell_formula_units_Z   2
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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.000  0.500  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.500  0.500  1.0
  Fe  Fe4  1  0.000  0.500  0.000  1.0
  Fe  Fe5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.774  0.745  0.029  1.0
  O  O7  1  0.756  0.750  0.494  1.0
  O  O8  1  0.216  0.745  0.471  1.0
  O  O9  1  0.244  0.738  0.994  1.0
  O  O10  1  0.784  0.255  0.529  1.0
  O  O11  1  0.244  0.250  0.506  1.0
  O  O12  1  0.756  0.262  0.006  1.0
  O  O13  1  0.226  0.255  0.971  1.0
[/CIF]
.
The material described by MgFe2O4 crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Fe(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share edges with two equivalent Fe(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(2), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), one Fe(1), and two equivalent Fe(2) atoms to form a mixture of corner and edge-sharing OMg2Fe3 square pyramids. is represented by the CIF card [CIF]
data_Mg(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.966
_cell_length_b   5.966
_cell_length_c   5.966
_cell_angle_alpha   118.661
_cell_angle_beta   118.469
_cell_angle_gamma   92.504
_symmetry_Int_Tables_number   1
_cell_volume   153.266
_cell_formula_units_Z   2
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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.000  0.500  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.500  0.500  1.0
  Fe  Fe4  1  0.000  0.500  0.000  1.0
  Fe  Fe5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.774  0.745  0.029  1.0
  O  O7  1  0.756  0.750  0.494  1.0
  O  O8  1  0.216  0.745  0.471  1.0
  O  O9  1  0.244  0.738  0.994  1.0
  O  O10  1  0.784  0.255  0.529  1.0
  O  O11  1  0.244  0.250  0.506  1.0
  O  O12  1  0.756  0.262  0.006  1.0
  O  O13  1  0.226  0.255  0.971  1.0
[/CIF]
.