The crystal structure described by La2Fe2O5 crystallizes in the triclinic P1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. In the second La site, La(2) is bonded in a 4-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(4) atoms to form corner-sharing FeO5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one O(3), two equivalent O(2), and two equivalent O(5) atoms to form corner-sharing FeO5 square pyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent La(1), two equivalent La(2), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to one La(2), two equivalent La(1), and two equivalent Fe(2) atoms to form distorted corner-sharing OLa3Fe2 trigonal bipyramids. In the third O site, O(3) is bonded in a see-saw-like geometry to two equivalent La(2), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Fe(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_La2Fe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.074
_cell_length_b   4.131
_cell_length_c   7.548
_cell_angle_alpha   91.010
_cell_angle_beta   94.065
_cell_angle_gamma   90.517
_symmetry_Int_Tables_number   1
_cell_volume   126.692
_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
  La  La0  1  0.001  0.995  0.003  1.0
  La  La1  1  0.868  0.009  0.500  1.0
  Fe  Fe2  1  0.472  0.493  0.764  1.0
  Fe  Fe3  1  0.505  0.505  0.230  1.0
  O  O4  1  0.502  0.997  0.775  1.0
  O  O5  1  0.537  0.003  0.213  1.0
  O  O6  1  0.599  0.505  0.501  1.0
  O  O7  1  0.006  0.487  0.812  1.0
  O  O8  1  0.009  0.506  0.200  1.0
[/CIF]
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The crystal structure described by La2Fe2O5 crystallizes in the triclinic P1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. In the second La site, La(2) is bonded in a 4-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(4) atoms to form corner-sharing FeO5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one O(3), two equivalent O(2), and two equivalent O(5) atoms to form corner-sharing FeO5 square pyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent La(1), two equivalent La(2), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to one La(2), two equivalent La(1), and two equivalent Fe(2) atoms to form distorted corner-sharing OLa3Fe2 trigonal bipyramids. In the third O site, O(3) is bonded in a see-saw-like geometry to two equivalent La(2), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Fe(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_La2Fe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.074
_cell_length_b   4.131
_cell_length_c   7.548
_cell_angle_alpha   91.010
_cell_angle_beta   94.065
_cell_angle_gamma   90.517
_symmetry_Int_Tables_number   1
_cell_volume   126.692
_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
  La  La0  1  0.001  0.995  0.003  1.0
  La  La1  1  0.868  0.009  0.500  1.0
  Fe  Fe2  1  0.472  0.493  0.764  1.0
  Fe  Fe3  1  0.505  0.505  0.230  1.0
  O  O4  1  0.502  0.997  0.775  1.0
  O  O5  1  0.537  0.003  0.213  1.0
  O  O6  1  0.599  0.505  0.501  1.0
  O  O7  1  0.006  0.487  0.812  1.0
  O  O8  1  0.009  0.506  0.200  1.0
[/CIF]
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