The material structure described by Sr3Fe2O5 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(2) and six equivalent O(3) atoms. Fe(1) is bonded in a square co-planar geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1) and two equivalent Fe(1) atoms to form a mixture of edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms to form a mixture of edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the third O site, O(3) is bonded in a 7-coordinate geometry to six equivalent Sr(2) and one Fe(1) atom. is represented by the CIF file [CIF]
data_Sr3Fe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.394
_cell_length_b   4.078
_cell_length_c   10.810
_cell_angle_alpha   100.873
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.918
_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
  Fe  Fe0  1  0.000  0.903  0.807  1.0
  Fe  Fe1  1  1.000  0.097  0.193  1.0
  O  O2  1  1.000  1.000  1.000  1.0
  O  O3  1  0.000  0.596  0.192  1.0
  O  O4  1  1.000  0.404  0.808  1.0
  O  O5  1  0.000  0.808  0.617  1.0
  O  O6  1  1.000  0.192  0.383  1.0
  Sr  Sr7  1  0.500  0.500  1.000  1.0
  Sr  Sr8  1  0.500  0.313  0.625  1.0
  Sr  Sr9  1  0.500  0.687  0.375  1.0
[/CIF]
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The material structure described by Sr3Fe2O5 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(2) and six equivalent O(3) atoms. Fe(1) is bonded in a square co-planar geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1) and two equivalent Fe(1) atoms to form a mixture of edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms to form a mixture of edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the third O site, O(3) is bonded in a 7-coordinate geometry to six equivalent Sr(2) and one Fe(1) atom. is represented by the CIF file [CIF]
data_Sr3Fe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.394
_cell_length_b   4.078
_cell_length_c   10.810
_cell_angle_alpha   100.873
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.918
_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
  Fe  Fe0  1  0.000  0.903  0.807  1.0
  Fe  Fe1  1  1.000  0.097  0.193  1.0
  O  O2  1  1.000  1.000  1.000  1.0
  O  O3  1  0.000  0.596  0.192  1.0
  O  O4  1  1.000  0.404  0.808  1.0
  O  O5  1  0.000  0.808  0.617  1.0
  O  O6  1  1.000  0.192  0.383  1.0
  Sr  Sr7  1  0.500  0.500  1.000  1.0
  Sr  Sr8  1  0.500  0.313  0.625  1.0
  Sr  Sr9  1  0.500  0.687  0.375  1.0
[/CIF]
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