The material structure described by FeSeO5 crystallizes in the monoclinic P2_1/c space group. Fe(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form edge-sharing FeO6 octahedra. Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to two equivalent Fe(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 120 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 one Fe(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Fe(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeSeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.164
_cell_length_b   7.393
_cell_length_c   8.662
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.945
_symmetry_Int_Tables_number   1
_cell_volume   392.595
_cell_formula_units_Z   4
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  0.859  0.034  0.653  1.0
  Fe  Fe1  1  0.359  0.534  0.847  1.0
  Fe  Fe2  1  0.141  0.966  0.347  1.0
  Fe  Fe3  1  0.641  0.466  0.153  1.0
  Se  Se4  1  0.585  0.807  0.378  1.0
  Se  Se5  1  0.085  0.307  0.122  1.0
  Se  Se6  1  0.415  0.193  0.622  1.0
  Se  Se7  1  0.915  0.693  0.878  1.0
  O  O8  1  0.827  0.959  0.423  1.0
  O  O9  1  0.327  0.459  0.077  1.0
  O  O10  1  0.173  0.041  0.577  1.0
  O  O11  1  0.673  0.541  0.923  1.0
  O  O12  1  0.451  0.002  0.333  1.0
  O  O13  1  0.951  0.502  0.167  1.0
  O  O14  1  0.549  0.998  0.667  1.0
  O  O15  1  0.049  0.498  0.833  1.0
  O  O16  1  0.642  0.733  0.198  1.0
  O  O17  1  0.142  0.233  0.302  1.0
  O  O18  1  0.358  0.267  0.802  1.0
  O  O19  1  0.858  0.767  0.698  1.0
  O  O20  1  0.909  0.095  0.839  1.0
  O  O21  1  0.409  0.595  0.661  1.0
  O  O22  1  0.091  0.905  0.161  1.0
  O  O23  1  0.591  0.405  0.339  1.0
  O  O24  1  0.845  0.263  0.621  1.0
  O  O25  1  0.345  0.763  0.879  1.0
  O  O26  1  0.155  0.737  0.379  1.0
  O  O27  1  0.655  0.237  0.121  1.0
[/CIF]
.
The material structure described by FeSeO5 crystallizes in the monoclinic P2_1/c space group. Fe(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form edge-sharing FeO6 octahedra. Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to two equivalent Fe(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 120 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 one Fe(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Fe(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeSeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.164
_cell_length_b   7.393
_cell_length_c   8.662
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.945
_symmetry_Int_Tables_number   1
_cell_volume   392.595
_cell_formula_units_Z   4
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  0.859  0.034  0.653  1.0
  Fe  Fe1  1  0.359  0.534  0.847  1.0
  Fe  Fe2  1  0.141  0.966  0.347  1.0
  Fe  Fe3  1  0.641  0.466  0.153  1.0
  Se  Se4  1  0.585  0.807  0.378  1.0
  Se  Se5  1  0.085  0.307  0.122  1.0
  Se  Se6  1  0.415  0.193  0.622  1.0
  Se  Se7  1  0.915  0.693  0.878  1.0
  O  O8  1  0.827  0.959  0.423  1.0
  O  O9  1  0.327  0.459  0.077  1.0
  O  O10  1  0.173  0.041  0.577  1.0
  O  O11  1  0.673  0.541  0.923  1.0
  O  O12  1  0.451  0.002  0.333  1.0
  O  O13  1  0.951  0.502  0.167  1.0
  O  O14  1  0.549  0.998  0.667  1.0
  O  O15  1  0.049  0.498  0.833  1.0
  O  O16  1  0.642  0.733  0.198  1.0
  O  O17  1  0.142  0.233  0.302  1.0
  O  O18  1  0.358  0.267  0.802  1.0
  O  O19  1  0.858  0.767  0.698  1.0
  O  O20  1  0.909  0.095  0.839  1.0
  O  O21  1  0.409  0.595  0.661  1.0
  O  O22  1  0.091  0.905  0.161  1.0
  O  O23  1  0.591  0.405  0.339  1.0
  O  O24  1  0.845  0.263  0.621  1.0
  O  O25  1  0.345  0.763  0.879  1.0
  O  O26  1  0.155  0.737  0.379  1.0
  O  O27  1  0.655  0.237  0.121  1.0
[/CIF]
.