The material described by Mg(Fe2O3)2 crystallizes in the trigonal R3 space group. Mg(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. There are four 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 a mixture of distorted edge, face, and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the third Fe site, Fe(3) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of face and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 41-48°. In the fourth Fe site, Fe(4) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of edge, face, and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom. In the second O site, O(2) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom to form a mixture of distorted edge and corner-sharing OFe4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(Fe2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.343
_cell_length_b   5.817
_cell_length_c   5.342
_cell_angle_alpha   62.597
_cell_angle_beta   120.020
_cell_angle_gamma   117.391
_symmetry_Int_Tables_number   1
_cell_volume   121.791
_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  0.249  0.748  0.751  1.0
  Fe  Fe1  1  0.475  0.425  0.525  1.0
  Fe  Fe2  1  0.025  0.076  0.975  1.0
  Fe  Fe3  1  0.660  0.979  0.340  1.0
  Fe  Fe4  1  0.840  0.521  0.160  1.0
  O  O5  1  0.615  0.750  0.115  1.0
  O  O6  1  0.250  0.750  0.385  1.0
  O  O7  1  0.047  0.250  0.250  1.0
  O  O8  1  0.750  0.250  0.547  1.0
  O  O9  1  0.453  0.250  0.953  1.0
  O  O10  1  0.885  0.750  0.750  1.0
[/CIF]
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The material described by Mg(Fe2O3)2 crystallizes in the trigonal R3 space group. Mg(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. There are four 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 a mixture of distorted edge, face, and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the third Fe site, Fe(3) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of face and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 41-48°. In the fourth Fe site, Fe(4) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of edge, face, and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom. In the second O site, O(2) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom to form a mixture of distorted edge and corner-sharing OFe4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(Fe2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.343
_cell_length_b   5.817
_cell_length_c   5.342
_cell_angle_alpha   62.597
_cell_angle_beta   120.020
_cell_angle_gamma   117.391
_symmetry_Int_Tables_number   1
_cell_volume   121.791
_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  0.249  0.748  0.751  1.0
  Fe  Fe1  1  0.475  0.425  0.525  1.0
  Fe  Fe2  1  0.025  0.076  0.975  1.0
  Fe  Fe3  1  0.660  0.979  0.340  1.0
  Fe  Fe4  1  0.840  0.521  0.160  1.0
  O  O5  1  0.615  0.750  0.115  1.0
  O  O6  1  0.250  0.750  0.385  1.0
  O  O7  1  0.047  0.250  0.250  1.0
  O  O8  1  0.750  0.250  0.547  1.0
  O  O9  1  0.453  0.250  0.953  1.0
  O  O10  1  0.885  0.750  0.750  1.0
[/CIF]
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