The structure described by MgFe2O5 is beta indium sulfide-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 28-46°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 30-46°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Fe(1), and one Fe(2) atom to form distorted OMg2Fe2 trigonal pyramids that share  a cornercorner with one O(4)MgFe3 trigonal pyramid,  a cornercorner with one O(5)MgFe3 trigonal pyramid, corners with two equivalent O(1)Mg2Fe2 trigonal pyramids, edges with two equivalent O(4)MgFe3 trigonal pyramids, and edges with two equivalent O(5)MgFe3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Fe(1), and two equivalent Fe(2) atoms to form OMgFe3 trigonal pyramids that share  a cornercorner with one O(1)Mg2Fe2 trigonal pyramid,  a cornercorner with one O(5)MgFe3 trigonal pyramid, corners with two equivalent O(4)MgFe3 trigonal pyramids, edges with two equivalent O(1)Mg2Fe2 trigonal pyramids, and edges with two equivalent O(5)MgFe3 trigonal pyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Fe(2), and two equivalent Fe(1) atoms to form OMgFe3 trigonal pyramids that share  a cornercorner with one O(1)Mg2Fe2 trigonal pyramid,  a cornercorner with one O(4)MgFe3 trigonal pyramid, corners with two equivalent O(5)MgFe3 trigonal pyramids, edges with two equivalent O(1)Mg2Fe2 trigonal pyramids, and edges with two equivalent O(4)MgFe3 trigonal pyramids. is represented by the CIF file [CIF]
data_MgFe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.929
_cell_length_b   9.681
_cell_length_c   5.261
_cell_angle_alpha   89.995
_cell_angle_beta   68.079
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   185.632
_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  0.796  0.251  0.407  1.0
  Mg  Mg1  1  0.204  0.751  0.593  1.0
  Fe  Fe2  1  0.861  0.940  0.277  1.0
  Fe  Fe3  1  0.139  0.440  0.723  1.0
  Fe  Fe4  1  0.860  0.560  0.279  1.0
  Fe  Fe5  1  0.140  0.060  0.721  1.0
  O  O6  1  0.219  0.257  0.563  1.0
  O  O7  1  0.781  0.757  0.437  1.0
  O  O8  1  0.952  0.111  0.096  1.0
  O  O9  1  0.960  0.383  0.081  1.0
  O  O10  1  0.048  0.612  0.904  1.0
  O  O11  1  0.040  0.883  0.919  1.0
  O  O12  1  0.694  0.056  0.612  1.0
  O  O13  1  0.689  0.442  0.622  1.0
  O  O14  1  0.306  0.556  0.388  1.0
  O  O15  1  0.311  0.942  0.378  1.0
[/CIF]
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The structure described by MgFe2O5 is beta indium sulfide-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 28-46°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 30-46°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Fe(1), and one Fe(2) atom to form distorted OMg2Fe2 trigonal pyramids that share  a cornercorner with one O(4)MgFe3 trigonal pyramid,  a cornercorner with one O(5)MgFe3 trigonal pyramid, corners with two equivalent O(1)Mg2Fe2 trigonal pyramids, edges with two equivalent O(4)MgFe3 trigonal pyramids, and edges with two equivalent O(5)MgFe3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Fe(1), and two equivalent Fe(2) atoms to form OMgFe3 trigonal pyramids that share  a cornercorner with one O(1)Mg2Fe2 trigonal pyramid,  a cornercorner with one O(5)MgFe3 trigonal pyramid, corners with two equivalent O(4)MgFe3 trigonal pyramids, edges with two equivalent O(1)Mg2Fe2 trigonal pyramids, and edges with two equivalent O(5)MgFe3 trigonal pyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Fe(2), and two equivalent Fe(1) atoms to form OMgFe3 trigonal pyramids that share  a cornercorner with one O(1)Mg2Fe2 trigonal pyramid,  a cornercorner with one O(4)MgFe3 trigonal pyramid, corners with two equivalent O(5)MgFe3 trigonal pyramids, edges with two equivalent O(1)Mg2Fe2 trigonal pyramids, and edges with two equivalent O(4)MgFe3 trigonal pyramids. is represented by the CIF file [CIF]
data_MgFe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.929
_cell_length_b   9.681
_cell_length_c   5.261
_cell_angle_alpha   89.995
_cell_angle_beta   68.079
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   185.632
_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  0.796  0.251  0.407  1.0
  Mg  Mg1  1  0.204  0.751  0.593  1.0
  Fe  Fe2  1  0.861  0.940  0.277  1.0
  Fe  Fe3  1  0.139  0.440  0.723  1.0
  Fe  Fe4  1  0.860  0.560  0.279  1.0
  Fe  Fe5  1  0.140  0.060  0.721  1.0
  O  O6  1  0.219  0.257  0.563  1.0
  O  O7  1  0.781  0.757  0.437  1.0
  O  O8  1  0.952  0.111  0.096  1.0
  O  O9  1  0.960  0.383  0.081  1.0
  O  O10  1  0.048  0.612  0.904  1.0
  O  O11  1  0.040  0.883  0.919  1.0
  O  O12  1  0.694  0.056  0.612  1.0
  O  O13  1  0.689  0.442  0.622  1.0
  O  O14  1  0.306  0.556  0.388  1.0
  O  O15  1  0.311  0.942  0.378  1.0
[/CIF]
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