The material structure described by MgFe3O4 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, edges with six equivalent Mg(1)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Fe site, Fe(2) is bonded to six equivalent O(1) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Fe(1) and three equivalent Fe(2) atoms to form OFe6 octahedra that share corners with three equivalent O(1)Fe6 octahedra, corners with three equivalent O(2)Mg3Fe3 octahedra, edges with three equivalent O(2)Mg3Fe3 octahedra, and edges with nine equivalent O(1)Fe6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to three equivalent Mg(1) and three equivalent Fe(1) atoms to form OMg3Fe3 octahedra that share corners with three equivalent O(1)Fe6 octahedra, corners with three equivalent O(2)Mg3Fe3 octahedra, edges with three equivalent O(1)Fe6 octahedra, and edges with nine equivalent O(2)Mg3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF file [CIF]
data_MgFe3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.282
_cell_length_b   10.282
_cell_length_c   10.282
_cell_angle_alpha   17.030
_cell_angle_beta   17.030
_cell_angle_gamma   17.030
_symmetry_Int_Tables_number   1
_cell_volume   81.335
_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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.251  0.251  0.251  1.0
  Fe  Fe2  1  0.500  0.500  0.500  1.0
  Fe  Fe3  1  0.749  0.749  0.749  1.0
  O  O4  1  0.125  0.125  0.125  1.0
  O  O5  1  0.373  0.373  0.373  1.0
  O  O6  1  0.627  0.627  0.627  1.0
  O  O7  1  0.875  0.875  0.875  1.0
[/CIF]
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The material structure described by MgFe3O4 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, edges with six equivalent Mg(1)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Fe site, Fe(2) is bonded to six equivalent O(1) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Fe(1) and three equivalent Fe(2) atoms to form OFe6 octahedra that share corners with three equivalent O(1)Fe6 octahedra, corners with three equivalent O(2)Mg3Fe3 octahedra, edges with three equivalent O(2)Mg3Fe3 octahedra, and edges with nine equivalent O(1)Fe6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to three equivalent Mg(1) and three equivalent Fe(1) atoms to form OMg3Fe3 octahedra that share corners with three equivalent O(1)Fe6 octahedra, corners with three equivalent O(2)Mg3Fe3 octahedra, edges with three equivalent O(1)Fe6 octahedra, and edges with nine equivalent O(2)Mg3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF file [CIF]
data_MgFe3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.282
_cell_length_b   10.282
_cell_length_c   10.282
_cell_angle_alpha   17.030
_cell_angle_beta   17.030
_cell_angle_gamma   17.030
_symmetry_Int_Tables_number   1
_cell_volume   81.335
_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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.251  0.251  0.251  1.0
  Fe  Fe2  1  0.500  0.500  0.500  1.0
  Fe  Fe3  1  0.749  0.749  0.749  1.0
  O  O4  1  0.125  0.125  0.125  1.0
  O  O5  1  0.373  0.373  0.373  1.0
  O  O6  1  0.627  0.627  0.627  1.0
  O  O7  1  0.875  0.875  0.875  1.0
[/CIF]
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