The material structure described by MgCr2(FeO3)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra and faces with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Cr(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. Fe(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Cr(1), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing OMgCr2Fe2 trigonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Cr(1), and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded to one Mg(1), two equivalent Cr(1), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing OMgCr2Fe2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCr2(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.179
_cell_length_b   5.203
_cell_length_c   5.840
_cell_angle_alpha   63.748
_cell_angle_beta   63.677
_cell_angle_gamma   59.527
_symmetry_Int_Tables_number   1
_cell_volume   116.646
_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  0.500  0.500  0.500  1.0
  Cr  Cr1  1  0.329  0.329  0.015  1.0
  Cr  Cr2  1  0.671  0.671  0.985  1.0
  Fe  Fe3  1  0.137  0.137  0.590  1.0
  Fe  Fe4  1  0.863  0.863  0.410  1.0
  O  O5  1  0.917  0.290  0.247  1.0
  O  O6  1  0.288  0.555  0.241  1.0
  O  O7  1  0.547  0.916  0.248  1.0
  O  O8  1  0.083  0.710  0.753  1.0
  O  O9  1  0.712  0.445  0.759  1.0
  O  O10  1  0.453  0.084  0.752  1.0
[/CIF]
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The material structure described by MgCr2(FeO3)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra and faces with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Cr(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. Fe(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Cr(1), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing OMgCr2Fe2 trigonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Cr(1), and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded to one Mg(1), two equivalent Cr(1), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing OMgCr2Fe2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCr2(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.179
_cell_length_b   5.203
_cell_length_c   5.840
_cell_angle_alpha   63.748
_cell_angle_beta   63.677
_cell_angle_gamma   59.527
_symmetry_Int_Tables_number   1
_cell_volume   116.646
_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  0.500  0.500  0.500  1.0
  Cr  Cr1  1  0.329  0.329  0.015  1.0
  Cr  Cr2  1  0.671  0.671  0.985  1.0
  Fe  Fe3  1  0.137  0.137  0.590  1.0
  Fe  Fe4  1  0.863  0.863  0.410  1.0
  O  O5  1  0.917  0.290  0.247  1.0
  O  O6  1  0.288  0.555  0.241  1.0
  O  O7  1  0.547  0.916  0.248  1.0
  O  O8  1  0.083  0.710  0.753  1.0
  O  O9  1  0.712  0.445  0.759  1.0
  O  O10  1  0.453  0.084  0.752  1.0
[/CIF]
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