The compound described by MgFe2O5 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(1), one O(3), and three equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing FeO5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and two equivalent Fe(1) atoms to form OMg2Fe2 tetrahedra that share corners with two equivalent O(1)Mg2Fe2 tetrahedra, corners with two equivalent O(2)MgFe3 trigonal pyramids, and edges with four equivalent O(2)MgFe3 trigonal pyramids. In the second O site, O(2) is bonded to one Mg(1) and three equivalent Fe(1) atoms to form distorted OMgFe3 trigonal pyramids that share  a cornercorner with one O(1)Mg2Fe2 tetrahedra, corners with three equivalent O(2)MgFe3 trigonal pyramids, edges with two equivalent O(1)Mg2Fe2 tetrahedra, and edges with two equivalent O(2)MgFe3 trigonal pyramids. In the third O site, O(3) is bonded in a linear geometry to one Mg(1) and one Fe(1) atom. is represented by the CIF card [CIF]
data_MgFe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.779
_cell_length_b   5.639
_cell_length_c   10.931
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.577
_symmetry_Int_Tables_number   1
_cell_volume   219.517
_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  0.881  0.762  0.750  1.0
  Mg  Mg1  1  0.119  0.238  0.250  1.0
  Fe  Fe2  1  0.204  0.408  0.600  1.0
  Fe  Fe3  1  0.796  0.592  0.400  1.0
  Fe  Fe4  1  0.796  0.592  0.100  1.0
  Fe  Fe5  1  0.204  0.408  0.900  1.0
  O  O6  1  0.697  0.393  0.250  1.0
  O  O7  1  0.303  0.607  0.750  1.0
  O  O8  1  0.238  0.477  0.080  1.0
  O  O9  1  0.762  0.523  0.920  1.0
  O  O10  1  0.762  0.523  0.580  1.0
  O  O11  1  0.238  0.477  0.420  1.0
  O  O12  1  0.041  0.081  0.651  1.0
  O  O13  1  0.959  0.919  0.349  1.0
  O  O14  1  0.041  0.081  0.849  1.0
  O  O15  1  0.959  0.919  0.151  1.0
[/CIF]
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The compound described by MgFe2O5 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(1), one O(3), and three equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing FeO5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and two equivalent Fe(1) atoms to form OMg2Fe2 tetrahedra that share corners with two equivalent O(1)Mg2Fe2 tetrahedra, corners with two equivalent O(2)MgFe3 trigonal pyramids, and edges with four equivalent O(2)MgFe3 trigonal pyramids. In the second O site, O(2) is bonded to one Mg(1) and three equivalent Fe(1) atoms to form distorted OMgFe3 trigonal pyramids that share  a cornercorner with one O(1)Mg2Fe2 tetrahedra, corners with three equivalent O(2)MgFe3 trigonal pyramids, edges with two equivalent O(1)Mg2Fe2 tetrahedra, and edges with two equivalent O(2)MgFe3 trigonal pyramids. In the third O site, O(3) is bonded in a linear geometry to one Mg(1) and one Fe(1) atom. is represented by the CIF card [CIF]
data_MgFe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.779
_cell_length_b   5.639
_cell_length_c   10.931
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.577
_symmetry_Int_Tables_number   1
_cell_volume   219.517
_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  0.881  0.762  0.750  1.0
  Mg  Mg1  1  0.119  0.238  0.250  1.0
  Fe  Fe2  1  0.204  0.408  0.600  1.0
  Fe  Fe3  1  0.796  0.592  0.400  1.0
  Fe  Fe4  1  0.796  0.592  0.100  1.0
  Fe  Fe5  1  0.204  0.408  0.900  1.0
  O  O6  1  0.697  0.393  0.250  1.0
  O  O7  1  0.303  0.607  0.750  1.0
  O  O8  1  0.238  0.477  0.080  1.0
  O  O9  1  0.762  0.523  0.920  1.0
  O  O10  1  0.762  0.523  0.580  1.0
  O  O11  1  0.238  0.477  0.420  1.0
  O  O12  1  0.041  0.081  0.651  1.0
  O  O13  1  0.959  0.919  0.349  1.0
  O  O14  1  0.041  0.081  0.849  1.0
  O  O15  1  0.959  0.919  0.151  1.0
[/CIF]
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