The compound described by MgFeO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent O(1) atoms to form distorted MgO6 octahedra that share corners with nine equivalent Fe(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-62°. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with nine equivalent Mg(1)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-62°. O(1) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_MgFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.506
_cell_length_b   5.506
_cell_length_c   5.506
_cell_angle_alpha   55.145
_cell_angle_beta   55.145
_cell_angle_gamma   55.145
_symmetry_Int_Tables_number   1
_cell_volume   104.729
_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  0.141  0.141  0.141  1.0
  Mg  Mg1  1  0.859  0.859  0.859  1.0
  Fe  Fe2  1  0.348  0.348  0.348  1.0
  Fe  Fe3  1  0.652  0.652  0.652  1.0
  O  O4  1  0.058  0.724  0.458  1.0
  O  O5  1  0.542  0.942  0.276  1.0
  O  O6  1  0.276  0.542  0.942  1.0
  O  O7  1  0.724  0.458  0.058  1.0
  O  O8  1  0.458  0.058  0.724  1.0
  O  O9  1  0.942  0.276  0.542  1.0
[/CIF]
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The compound described by MgFeO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent O(1) atoms to form distorted MgO6 octahedra that share corners with nine equivalent Fe(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-62°. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with nine equivalent Mg(1)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-62°. O(1) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_MgFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.506
_cell_length_b   5.506
_cell_length_c   5.506
_cell_angle_alpha   55.145
_cell_angle_beta   55.145
_cell_angle_gamma   55.145
_symmetry_Int_Tables_number   1
_cell_volume   104.729
_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  0.141  0.141  0.141  1.0
  Mg  Mg1  1  0.859  0.859  0.859  1.0
  Fe  Fe2  1  0.348  0.348  0.348  1.0
  Fe  Fe3  1  0.652  0.652  0.652  1.0
  O  O4  1  0.058  0.724  0.458  1.0
  O  O5  1  0.542  0.942  0.276  1.0
  O  O6  1  0.276  0.542  0.942  1.0
  O  O7  1  0.724  0.458  0.058  1.0
  O  O8  1  0.458  0.058  0.724  1.0
  O  O9  1  0.942  0.276  0.542  1.0
[/CIF]
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