The material described by Fe3Se3O10 crystallizes in the triclinic P-1 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(5), one O(6), one O(8), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 46-63°. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(4), one O(7), and two equivalent O(10) atoms to form a mixture of distorted corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(9) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(10), and one O(4) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(5), one O(6), and one O(7) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(2), one O(3), and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Se(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to two equivalent Fe(1) and one Se(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Se(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2), one Fe(4), and one Se(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Se(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Se(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Fe(2) and one Se(2) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Fe(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(3) and one Se(3) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(2), and one Se(1) atom. is represented by the CIF file [CIF]
data_Fe3Se3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.332
_cell_length_b   8.333
_cell_length_c   8.613
_cell_angle_alpha   62.513
_cell_angle_beta   70.051
_cell_angle_gamma   68.917
_symmetry_Int_Tables_number   1
_cell_volume   483.794
_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  0.471  0.337  0.703  1.0
  Fe  Fe1  1  0.529  0.663  0.297  1.0
  Fe  Fe2  1  0.638  0.273  0.101  1.0
  Fe  Fe3  1  0.362  0.727  0.899  1.0
  Fe  Fe4  1  0.000  0.500  0.000  1.0
  Fe  Fe5  1  0.500  0.000  0.500  1.0
  Se  Se6  1  0.269  0.433  0.270  1.0
  Se  Se7  1  0.731  0.567  0.730  1.0
  Se  Se8  1  0.171  0.178  0.803  1.0
  Se  Se9  1  0.829  0.822  0.197  1.0
  Se  Se10  1  0.823  0.206  0.444  1.0
  Se  Se11  1  0.177  0.794  0.556  1.0
  O  O12  1  0.194  0.551  0.072  1.0
  O  O13  1  0.806  0.449  0.928  1.0
  O  O14  1  0.654  0.408  0.469  1.0
  O  O15  1  0.346  0.592  0.531  1.0
  O  O16  1  0.717  0.130  0.359  1.0
  O  O17  1  0.283  0.870  0.641  1.0
  O  O18  1  0.388  0.217  0.269  1.0
  O  O19  1  0.612  0.783  0.731  1.0
  O  O20  1  0.357  0.202  0.623  1.0
  O  O21  1  0.643  0.798  0.377  1.0
  O  O22  1  0.226  0.308  0.881  1.0
  O  O23  1  0.774  0.692  0.119  1.0
  O  O24  1  0.219  0.956  0.951  1.0
  O  O25  1  0.781  0.044  0.049  1.0
  O  O26  1  0.609  0.134  0.790  1.0
  O  O27  1  0.391  0.866  0.210  1.0
  O  O28  1  0.975  0.301  0.264  1.0
  O  O29  1  0.025  0.699  0.736  1.0
  O  O30  1  0.456  0.531  0.176  1.0
  O  O31  1  0.544  0.469  0.824  1.0
[/CIF]
.
The material described by Fe3Se3O10 crystallizes in the triclinic P-1 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(5), one O(6), one O(8), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 46-63°. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(4), one O(7), and two equivalent O(10) atoms to form a mixture of distorted corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(9) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(10), and one O(4) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(5), one O(6), and one O(7) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(2), one O(3), and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Se(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to two equivalent Fe(1) and one Se(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Se(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2), one Fe(4), and one Se(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Se(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Se(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Fe(2) and one Se(2) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Fe(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(3) and one Se(3) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(2), and one Se(1) atom. is represented by the CIF file [CIF]
data_Fe3Se3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.332
_cell_length_b   8.333
_cell_length_c   8.613
_cell_angle_alpha   62.513
_cell_angle_beta   70.051
_cell_angle_gamma   68.917
_symmetry_Int_Tables_number   1
_cell_volume   483.794
_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  0.471  0.337  0.703  1.0
  Fe  Fe1  1  0.529  0.663  0.297  1.0
  Fe  Fe2  1  0.638  0.273  0.101  1.0
  Fe  Fe3  1  0.362  0.727  0.899  1.0
  Fe  Fe4  1  0.000  0.500  0.000  1.0
  Fe  Fe5  1  0.500  0.000  0.500  1.0
  Se  Se6  1  0.269  0.433  0.270  1.0
  Se  Se7  1  0.731  0.567  0.730  1.0
  Se  Se8  1  0.171  0.178  0.803  1.0
  Se  Se9  1  0.829  0.822  0.197  1.0
  Se  Se10  1  0.823  0.206  0.444  1.0
  Se  Se11  1  0.177  0.794  0.556  1.0
  O  O12  1  0.194  0.551  0.072  1.0
  O  O13  1  0.806  0.449  0.928  1.0
  O  O14  1  0.654  0.408  0.469  1.0
  O  O15  1  0.346  0.592  0.531  1.0
  O  O16  1  0.717  0.130  0.359  1.0
  O  O17  1  0.283  0.870  0.641  1.0
  O  O18  1  0.388  0.217  0.269  1.0
  O  O19  1  0.612  0.783  0.731  1.0
  O  O20  1  0.357  0.202  0.623  1.0
  O  O21  1  0.643  0.798  0.377  1.0
  O  O22  1  0.226  0.308  0.881  1.0
  O  O23  1  0.774  0.692  0.119  1.0
  O  O24  1  0.219  0.956  0.951  1.0
  O  O25  1  0.781  0.044  0.049  1.0
  O  O26  1  0.609  0.134  0.790  1.0
  O  O27  1  0.391  0.866  0.210  1.0
  O  O28  1  0.975  0.301  0.264  1.0
  O  O29  1  0.025  0.699  0.736  1.0
  O  O30  1  0.456  0.531  0.176  1.0
  O  O31  1  0.544  0.469  0.824  1.0
[/CIF]
.