The crystal structure described by MgFe2O5 is beta indium sulfide-derived structured and crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Fe(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 29-44°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to one Mg(1) and three equivalent Fe(1) atoms to form OMgFe3 trigonal pyramids that share  a cornercorner with one O(3)Mg2Fe2 trigonal pyramid, corners with three equivalent O(2)MgFe3 trigonal pyramids, edges with two equivalent O(3)Mg2Fe2 trigonal pyramids, and edges with two equivalent O(2)MgFe3 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Fe(1) atoms to form distorted OMg2Fe2 trigonal pyramids that share corners with two equivalent O(3)Mg2Fe2 trigonal pyramids, corners with two equivalent O(2)MgFe3 trigonal pyramids, and edges with four equivalent O(2)MgFe3 trigonal pyramids. is represented by the CIF card [CIF]
data_MgFe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.255
_cell_length_b   5.255
_cell_length_c   9.756
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   136.221
_symmetry_Int_Tables_number   1
_cell_volume   186.429
_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  0.795  0.205  0.250  1.0
  Mg  Mg1  1  0.205  0.795  0.750  1.0
  Fe  Fe2  1  0.861  0.139  0.561  1.0
  Fe  Fe3  1  0.861  0.139  0.939  1.0
  Fe  Fe4  1  0.139  0.861  0.061  1.0
  Fe  Fe5  1  0.139  0.861  0.439  1.0
  O  O6  1  0.953  0.047  0.115  1.0
  O  O7  1  0.953  0.047  0.385  1.0
  O  O8  1  0.690  0.310  0.057  1.0
  O  O9  1  0.690  0.310  0.443  1.0
  O  O10  1  0.215  0.785  0.250  1.0
  O  O11  1  0.785  0.215  0.750  1.0
  O  O12  1  0.310  0.690  0.557  1.0
  O  O13  1  0.047  0.953  0.615  1.0
  O  O14  1  0.310  0.690  0.943  1.0
  O  O15  1  0.047  0.953  0.885  1.0
[/CIF]
.
The crystal structure described by MgFe2O5 is beta indium sulfide-derived structured and crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Fe(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 29-44°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to one Mg(1) and three equivalent Fe(1) atoms to form OMgFe3 trigonal pyramids that share  a cornercorner with one O(3)Mg2Fe2 trigonal pyramid, corners with three equivalent O(2)MgFe3 trigonal pyramids, edges with two equivalent O(3)Mg2Fe2 trigonal pyramids, and edges with two equivalent O(2)MgFe3 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Fe(1) atoms to form distorted OMg2Fe2 trigonal pyramids that share corners with two equivalent O(3)Mg2Fe2 trigonal pyramids, corners with two equivalent O(2)MgFe3 trigonal pyramids, and edges with four equivalent O(2)MgFe3 trigonal pyramids. is represented by the CIF card [CIF]
data_MgFe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.255
_cell_length_b   5.255
_cell_length_c   9.756
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   136.221
_symmetry_Int_Tables_number   1
_cell_volume   186.429
_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  0.795  0.205  0.250  1.0
  Mg  Mg1  1  0.205  0.795  0.750  1.0
  Fe  Fe2  1  0.861  0.139  0.561  1.0
  Fe  Fe3  1  0.861  0.139  0.939  1.0
  Fe  Fe4  1  0.139  0.861  0.061  1.0
  Fe  Fe5  1  0.139  0.861  0.439  1.0
  O  O6  1  0.953  0.047  0.115  1.0
  O  O7  1  0.953  0.047  0.385  1.0
  O  O8  1  0.690  0.310  0.057  1.0
  O  O9  1  0.690  0.310  0.443  1.0
  O  O10  1  0.215  0.785  0.250  1.0
  O  O11  1  0.785  0.215  0.750  1.0
  O  O12  1  0.310  0.690  0.557  1.0
  O  O13  1  0.047  0.953  0.615  1.0
  O  O14  1  0.310  0.690  0.943  1.0
  O  O15  1  0.047  0.953  0.885  1.0
[/CIF]
.