The material described by La2Fe2O5 crystallizes in the monoclinic C2 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second La site, La(2) is bonded in a 1-coordinate geometry to two equivalent O(1), three equivalent O(3), and four equivalent O(2) atoms. Fe(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing FeO5 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(1), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent La(1), two equivalent La(2), and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent La(2) and two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2Fe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.087
_cell_length_b   4.087
_cell_length_c   7.536
_cell_angle_alpha   86.450
_cell_angle_beta   86.450
_cell_angle_gamma   91.653
_symmetry_Int_Tables_number   1
_cell_volume   125.293
_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  0.002  0.998  0.000  1.0
  La  La1  1  0.931  0.069  0.500  1.0
  Fe  Fe2  1  0.480  0.488  0.233  1.0
  Fe  Fe3  1  0.512  0.520  0.767  1.0
  O  O4  1  0.997  0.462  0.206  1.0
  O  O5  1  0.011  0.515  0.782  1.0
  O  O6  1  0.553  0.447  0.500  1.0
  O  O7  1  0.485  0.989  0.218  1.0
  O  O8  1  0.538  0.003  0.794  1.0
[/CIF]
.
The material described by La2Fe2O5 crystallizes in the monoclinic C2 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second La site, La(2) is bonded in a 1-coordinate geometry to two equivalent O(1), three equivalent O(3), and four equivalent O(2) atoms. Fe(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing FeO5 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(1), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent La(1), two equivalent La(2), and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent La(2) and two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2Fe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.087
_cell_length_b   4.087
_cell_length_c   7.536
_cell_angle_alpha   86.450
_cell_angle_beta   86.450
_cell_angle_gamma   91.653
_symmetry_Int_Tables_number   1
_cell_volume   125.293
_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  0.002  0.998  0.000  1.0
  La  La1  1  0.931  0.069  0.500  1.0
  Fe  Fe2  1  0.480  0.488  0.233  1.0
  Fe  Fe3  1  0.512  0.520  0.767  1.0
  O  O4  1  0.997  0.462  0.206  1.0
  O  O5  1  0.011  0.515  0.782  1.0
  O  O6  1  0.553  0.447  0.500  1.0
  O  O7  1  0.485  0.989  0.218  1.0
  O  O8  1  0.538  0.003  0.794  1.0
[/CIF]
.