The material structure described by Mg2Fe2O5 is Aluminum carbonitride-like structured and crystallizes in the orthorhombic Ima2 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 34°. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form FeO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 61°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), one Fe(1), and one Fe(2) atom to form distorted corner-sharing OMg2Fe2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Fe(2) atoms to form corner-sharing OMg2Fe2 tetrahedra. is represented by the CIF card [CIF]
data_Mg2Fe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.857
_cell_length_b   7.857
_cell_length_c   7.857
_cell_angle_alpha   140.423
_cell_angle_beta   139.672
_cell_angle_gamma   57.784
_symmetry_Int_Tables_number   1
_cell_volume   198.270
_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  0.341  0.893  0.469  1.0
  Mg  Mg1  1  0.576  0.107  0.448  1.0
  Mg  Mg2  1  0.841  0.372  0.448  1.0
  Mg  Mg3  1  0.076  0.628  0.469  1.0
  Fe  Fe4  1  0.013  0.000  0.013  1.0
  Fe  Fe5  1  0.513  0.500  0.013  1.0
  Fe  Fe6  1  0.693  0.717  0.910  1.0
  Fe  Fe7  1  0.193  0.283  0.976  1.0
  O  O8  1  0.312  0.299  0.526  1.0
  O  O9  1  0.228  0.701  0.013  1.0
  O  O10  1  0.812  0.286  0.013  1.0
  O  O11  1  0.728  0.714  0.526  1.0
  O  O12  1  0.941  0.995  0.221  1.0
  O  O13  1  0.226  0.005  0.946  1.0
  O  O14  1  0.441  0.220  0.946  1.0
  O  O15  1  0.726  0.780  0.221  1.0
  O  O16  1  0.335  0.623  0.457  1.0
  O  O17  1  0.835  0.377  0.712  1.0
[/CIF]
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The material structure described by Mg2Fe2O5 is Aluminum carbonitride-like structured and crystallizes in the orthorhombic Ima2 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 34°. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form FeO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 61°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), one Fe(1), and one Fe(2) atom to form distorted corner-sharing OMg2Fe2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Fe(2) atoms to form corner-sharing OMg2Fe2 tetrahedra. is represented by the CIF card [CIF]
data_Mg2Fe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.857
_cell_length_b   7.857
_cell_length_c   7.857
_cell_angle_alpha   140.423
_cell_angle_beta   139.672
_cell_angle_gamma   57.784
_symmetry_Int_Tables_number   1
_cell_volume   198.270
_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  0.341  0.893  0.469  1.0
  Mg  Mg1  1  0.576  0.107  0.448  1.0
  Mg  Mg2  1  0.841  0.372  0.448  1.0
  Mg  Mg3  1  0.076  0.628  0.469  1.0
  Fe  Fe4  1  0.013  0.000  0.013  1.0
  Fe  Fe5  1  0.513  0.500  0.013  1.0
  Fe  Fe6  1  0.693  0.717  0.910  1.0
  Fe  Fe7  1  0.193  0.283  0.976  1.0
  O  O8  1  0.312  0.299  0.526  1.0
  O  O9  1  0.228  0.701  0.013  1.0
  O  O10  1  0.812  0.286  0.013  1.0
  O  O11  1  0.728  0.714  0.526  1.0
  O  O12  1  0.941  0.995  0.221  1.0
  O  O13  1  0.226  0.005  0.946  1.0
  O  O14  1  0.441  0.220  0.946  1.0
  O  O15  1  0.726  0.780  0.221  1.0
  O  O16  1  0.335  0.623  0.457  1.0
  O  O17  1  0.835  0.377  0.712  1.0
[/CIF]
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