The crystal structure described by Fe(Se2O5)2 crystallizes in the orthorhombic Pnc2 space group. Fe(1) is bonded in an octahedral geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(1), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Se(1) and one Se(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to two equivalent Se(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(1) and one Se(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(1) and one Se(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to two equivalent Se(2) atoms. is represented by the CIF file [CIF]
data_Fe(Se2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.086
_cell_length_b   7.002
_cell_length_c   10.547
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   449.465
_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
  Fe  Fe0  1  0.000  0.500  0.400  1.0
  Fe  Fe1  1  0.000  0.000  0.900  1.0
  Se  Se2  1  0.218  0.150  0.192  1.0
  Se  Se3  1  0.218  0.350  0.692  1.0
  Se  Se4  1  0.289  0.646  0.009  1.0
  Se  Se5  1  0.289  0.854  0.509  1.0
  Se  Se6  1  0.711  0.146  0.509  1.0
  Se  Se7  1  0.711  0.354  0.009  1.0
  Se  Se8  1  0.782  0.650  0.692  1.0
  Se  Se9  1  0.782  0.850  0.192  1.0
  O  O10  1  0.573  0.258  0.132  1.0
  O  O11  1  0.891  0.819  0.043  1.0
  O  O12  1  0.000  0.000  0.268  1.0
  O  O13  1  0.000  0.500  0.768  1.0
  O  O14  1  0.109  0.181  0.043  1.0
  O  O15  1  0.109  0.319  0.543  1.0
  O  O16  1  0.164  0.141  0.763  1.0
  O  O17  1  0.164  0.359  0.263  1.0
  O  O18  1  0.264  0.675  0.400  1.0
  O  O19  1  0.264  0.825  0.900  1.0
  O  O20  1  0.427  0.742  0.132  1.0
  O  O21  1  0.427  0.758  0.632  1.0
  O  O22  1  0.500  0.500  0.920  1.0
  O  O23  1  0.500  0.000  0.420  1.0
  O  O24  1  0.573  0.242  0.632  1.0
  O  O25  1  0.836  0.641  0.263  1.0
  O  O26  1  0.736  0.325  0.400  1.0
  O  O27  1  0.736  0.175  0.900  1.0
  O  O28  1  0.836  0.859  0.763  1.0
  O  O29  1  0.891  0.681  0.543  1.0
[/CIF]
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The crystal structure described by Fe(Se2O5)2 crystallizes in the orthorhombic Pnc2 space group. Fe(1) is bonded in an octahedral geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(1), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Se(1) and one Se(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to two equivalent Se(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(1) and one Se(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(1) and one Se(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to two equivalent Se(2) atoms. is represented by the CIF file [CIF]
data_Fe(Se2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.086
_cell_length_b   7.002
_cell_length_c   10.547
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   449.465
_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
  Fe  Fe0  1  0.000  0.500  0.400  1.0
  Fe  Fe1  1  0.000  0.000  0.900  1.0
  Se  Se2  1  0.218  0.150  0.192  1.0
  Se  Se3  1  0.218  0.350  0.692  1.0
  Se  Se4  1  0.289  0.646  0.009  1.0
  Se  Se5  1  0.289  0.854  0.509  1.0
  Se  Se6  1  0.711  0.146  0.509  1.0
  Se  Se7  1  0.711  0.354  0.009  1.0
  Se  Se8  1  0.782  0.650  0.692  1.0
  Se  Se9  1  0.782  0.850  0.192  1.0
  O  O10  1  0.573  0.258  0.132  1.0
  O  O11  1  0.891  0.819  0.043  1.0
  O  O12  1  0.000  0.000  0.268  1.0
  O  O13  1  0.000  0.500  0.768  1.0
  O  O14  1  0.109  0.181  0.043  1.0
  O  O15  1  0.109  0.319  0.543  1.0
  O  O16  1  0.164  0.141  0.763  1.0
  O  O17  1  0.164  0.359  0.263  1.0
  O  O18  1  0.264  0.675  0.400  1.0
  O  O19  1  0.264  0.825  0.900  1.0
  O  O20  1  0.427  0.742  0.132  1.0
  O  O21  1  0.427  0.758  0.632  1.0
  O  O22  1  0.500  0.500  0.920  1.0
  O  O23  1  0.500  0.000  0.420  1.0
  O  O24  1  0.573  0.242  0.632  1.0
  O  O25  1  0.836  0.641  0.263  1.0
  O  O26  1  0.736  0.325  0.400  1.0
  O  O27  1  0.736  0.175  0.900  1.0
  O  O28  1  0.836  0.859  0.763  1.0
  O  O29  1  0.891  0.681  0.543  1.0
[/CIF]
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