The material structure described by MgOFe2O2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Fmmm space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with eight equivalent Fe(1)O6 octahedra. The corner-sharing octahedra are not tilted. Fe(1) is bonded to one O(1) and five equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with five equivalent Fe(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with eight equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent O sites. In the first O site, O(2) is bonded to one Mg(1) and five equivalent Fe(1) atoms to form OMgFe5 octahedra that share  a cornercorner with one O(1)Mg4Fe2 octahedra, corners with five equivalent O(2)MgFe5 octahedra, edges with four equivalent O(1)Mg4Fe2 octahedra, and edges with eight equivalent O(2)MgFe5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(1) is bonded to four equivalent Mg(1) and two equivalent Fe(1) atoms to form OMg4Fe2 octahedra that share corners with two equivalent O(2)MgFe5 octahedra, corners with four equivalent O(1)Mg4Fe2 octahedra, edges with four equivalent O(1)Mg4Fe2 octahedra, and edges with eight equivalent O(2)MgFe5 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_MgFe2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.058
_cell_length_b   3.058
_cell_length_c   6.973
_cell_angle_alpha   102.032
_cell_angle_beta   102.032
_cell_angle_gamma   92.824
_symmetry_Int_Tables_number   1
_cell_volume   62.082
_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
  Fe  Fe0  1  0.666  0.666  0.332  1.0
  Fe  Fe1  1  0.334  0.334  0.668  1.0
  Mg  Mg2  1  1.000  1.000  0.000  1.0
  O  O3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.163  0.163  0.326  1.0
  O  O5  1  0.837  0.837  0.674  1.0
[/CIF]
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The material structure described by MgOFe2O2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Fmmm space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with eight equivalent Fe(1)O6 octahedra. The corner-sharing octahedra are not tilted. Fe(1) is bonded to one O(1) and five equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with five equivalent Fe(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with eight equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent O sites. In the first O site, O(2) is bonded to one Mg(1) and five equivalent Fe(1) atoms to form OMgFe5 octahedra that share  a cornercorner with one O(1)Mg4Fe2 octahedra, corners with five equivalent O(2)MgFe5 octahedra, edges with four equivalent O(1)Mg4Fe2 octahedra, and edges with eight equivalent O(2)MgFe5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(1) is bonded to four equivalent Mg(1) and two equivalent Fe(1) atoms to form OMg4Fe2 octahedra that share corners with two equivalent O(2)MgFe5 octahedra, corners with four equivalent O(1)Mg4Fe2 octahedra, edges with four equivalent O(1)Mg4Fe2 octahedra, and edges with eight equivalent O(2)MgFe5 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_MgFe2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.058
_cell_length_b   3.058
_cell_length_c   6.973
_cell_angle_alpha   102.032
_cell_angle_beta   102.032
_cell_angle_gamma   92.824
_symmetry_Int_Tables_number   1
_cell_volume   62.082
_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
  Fe  Fe0  1  0.666  0.666  0.332  1.0
  Fe  Fe1  1  0.334  0.334  0.668  1.0
  Mg  Mg2  1  1.000  1.000  0.000  1.0
  O  O3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.163  0.163  0.326  1.0
  O  O5  1  0.837  0.837  0.674  1.0
[/CIF]
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