The crystal structure described by Fe3C9SeSO9 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Fe3C9SeSO9 clusters. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one C(1), one C(2), one C(3), one Se(1), and one S(1) atom. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one C(4), one C(5), one C(6), one Se(1), and one S(1) atom. In the third Fe site, Fe(3) is bonded in a distorted square pyramidal geometry to one C(7), one C(8), one C(9), one Se(1), and one S(1) atom. There are nine inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Fe(1) and one O(1) atom. In the second C site, C(2) is bonded in a linear geometry to one Fe(1) and one O(2) atom. In the third C site, C(3) is bonded in a linear geometry to one Fe(1) and one O(3) atom. In the fourth C site, C(4) is bonded in a linear geometry to one Fe(2) and one O(4) atom. In the fifth C site, C(5) is bonded in a distorted linear geometry to one Fe(2) and one O(5) atom. In the sixth C site, C(6) is bonded in a linear geometry to one Fe(2) and one O(6) atom. In the seventh C site, C(7) is bonded in a linear geometry to one Fe(3) and one O(7) atom. In the eighth C site, C(8) is bonded in a linear geometry to one Fe(3) and one O(8) atom. In the ninth C site, C(9) is bonded in a distorted linear geometry to one Fe(3) and one O(9) atom. Se(1) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one Fe(3) atom. S(1) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(3) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(4) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one C(5) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one C(6) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one C(7) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one C(8) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one C(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe3C9SeSO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.372
_cell_length_b   9.672
_cell_length_c   14.573
_cell_angle_alpha   84.746
_cell_angle_beta   82.560
_cell_angle_gamma   68.524
_symmetry_Int_Tables_number   1
_cell_volume   957.672
_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  0.157  0.263  0.849  1.0
  Fe  Fe1  1  0.843  0.737  0.151  1.0
  Fe  Fe2  1  0.076  0.203  0.656  1.0
  Fe  Fe3  1  0.924  0.797  0.344  1.0
  Fe  Fe4  1  0.229  0.909  0.762  1.0
  Fe  Fe5  1  0.771  0.091  0.238  1.0
  C  C6  1  0.218  0.186  0.970  1.0
  C  C7  1  0.782  0.814  0.030  1.0
  C  C8  1  0.308  0.378  0.829  1.0
  C  C9  1  0.692  0.622  0.171  1.0
  C  C10  1  0.933  0.421  0.874  1.0
  C  C11  1  0.067  0.579  0.126  1.0
  C  C12  1  0.134  0.387  0.615  1.0
  C  C13  1  0.866  0.613  0.385  1.0
  C  C14  1  0.795  0.291  0.606  1.0
  C  C15  1  0.205  0.709  0.394  1.0
  C  C16  1  0.187  0.078  0.547  1.0
  C  C17  1  0.813  0.922  0.453  1.0
  C  C18  1  0.039  0.823  0.736  1.0
  C  C19  1  0.961  0.177  0.264  1.0
  C  C20  1  0.433  0.775  0.682  1.0
  C  C21  1  0.567  0.225  0.318  1.0
  C  C22  1  0.298  0.798  0.889  1.0
  C  C23  1  0.702  0.202  0.111  1.0
  Se  Se24  1  0.414  0.076  0.753  1.0
  Se  Se25  1  0.586  0.924  0.247  1.0
  S  S26  1  0.973  0.131  0.805  1.0
  S  S27  1  0.027  0.869  0.195  1.0
  O  O28  1  0.264  0.126  0.041  1.0
  O  O29  1  0.736  0.874  0.959  1.0
  O  O30  1  0.405  0.451  0.813  1.0
  O  O31  1  0.595  0.549  0.187  1.0
  O  O32  1  0.789  0.523  0.888  1.0
  O  O33  1  0.211  0.477  0.112  1.0
  O  O34  1  0.168  0.492  0.590  1.0
  O  O35  1  0.832  0.508  0.410  1.0
  O  O36  1  0.634  0.326  0.593  1.0
  O  O37  1  0.366  0.674  0.407  1.0
  O  O38  1  0.261  0.014  0.481  1.0
  O  O39  1  0.739  0.986  0.519  1.0
  O  O40  1  0.927  0.772  0.722  1.0
  O  O41  1  0.073  0.228  0.278  1.0
  O  O42  1  0.557  0.697  0.634  1.0
  O  O43  1  0.443  0.303  0.366  1.0
  O  O44  1  0.335  0.759  0.963  1.0
  O  O45  1  0.665  0.241  0.037  1.0
[/CIF]
.
The crystal structure described by Fe3C9SeSO9 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Fe3C9SeSO9 clusters. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one C(1), one C(2), one C(3), one Se(1), and one S(1) atom. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one C(4), one C(5), one C(6), one Se(1), and one S(1) atom. In the third Fe site, Fe(3) is bonded in a distorted square pyramidal geometry to one C(7), one C(8), one C(9), one Se(1), and one S(1) atom. There are nine inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Fe(1) and one O(1) atom. In the second C site, C(2) is bonded in a linear geometry to one Fe(1) and one O(2) atom. In the third C site, C(3) is bonded in a linear geometry to one Fe(1) and one O(3) atom. In the fourth C site, C(4) is bonded in a linear geometry to one Fe(2) and one O(4) atom. In the fifth C site, C(5) is bonded in a distorted linear geometry to one Fe(2) and one O(5) atom. In the sixth C site, C(6) is bonded in a linear geometry to one Fe(2) and one O(6) atom. In the seventh C site, C(7) is bonded in a linear geometry to one Fe(3) and one O(7) atom. In the eighth C site, C(8) is bonded in a linear geometry to one Fe(3) and one O(8) atom. In the ninth C site, C(9) is bonded in a distorted linear geometry to one Fe(3) and one O(9) atom. Se(1) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one Fe(3) atom. S(1) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(3) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(4) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one C(5) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one C(6) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one C(7) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one C(8) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one C(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe3C9SeSO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.372
_cell_length_b   9.672
_cell_length_c   14.573
_cell_angle_alpha   84.746
_cell_angle_beta   82.560
_cell_angle_gamma   68.524
_symmetry_Int_Tables_number   1
_cell_volume   957.672
_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  0.157  0.263  0.849  1.0
  Fe  Fe1  1  0.843  0.737  0.151  1.0
  Fe  Fe2  1  0.076  0.203  0.656  1.0
  Fe  Fe3  1  0.924  0.797  0.344  1.0
  Fe  Fe4  1  0.229  0.909  0.762  1.0
  Fe  Fe5  1  0.771  0.091  0.238  1.0
  C  C6  1  0.218  0.186  0.970  1.0
  C  C7  1  0.782  0.814  0.030  1.0
  C  C8  1  0.308  0.378  0.829  1.0
  C  C9  1  0.692  0.622  0.171  1.0
  C  C10  1  0.933  0.421  0.874  1.0
  C  C11  1  0.067  0.579  0.126  1.0
  C  C12  1  0.134  0.387  0.615  1.0
  C  C13  1  0.866  0.613  0.385  1.0
  C  C14  1  0.795  0.291  0.606  1.0
  C  C15  1  0.205  0.709  0.394  1.0
  C  C16  1  0.187  0.078  0.547  1.0
  C  C17  1  0.813  0.922  0.453  1.0
  C  C18  1  0.039  0.823  0.736  1.0
  C  C19  1  0.961  0.177  0.264  1.0
  C  C20  1  0.433  0.775  0.682  1.0
  C  C21  1  0.567  0.225  0.318  1.0
  C  C22  1  0.298  0.798  0.889  1.0
  C  C23  1  0.702  0.202  0.111  1.0
  Se  Se24  1  0.414  0.076  0.753  1.0
  Se  Se25  1  0.586  0.924  0.247  1.0
  S  S26  1  0.973  0.131  0.805  1.0
  S  S27  1  0.027  0.869  0.195  1.0
  O  O28  1  0.264  0.126  0.041  1.0
  O  O29  1  0.736  0.874  0.959  1.0
  O  O30  1  0.405  0.451  0.813  1.0
  O  O31  1  0.595  0.549  0.187  1.0
  O  O32  1  0.789  0.523  0.888  1.0
  O  O33  1  0.211  0.477  0.112  1.0
  O  O34  1  0.168  0.492  0.590  1.0
  O  O35  1  0.832  0.508  0.410  1.0
  O  O36  1  0.634  0.326  0.593  1.0
  O  O37  1  0.366  0.674  0.407  1.0
  O  O38  1  0.261  0.014  0.481  1.0
  O  O39  1  0.739  0.986  0.519  1.0
  O  O40  1  0.927  0.772  0.722  1.0
  O  O41  1  0.073  0.228  0.278  1.0
  O  O42  1  0.557  0.697  0.634  1.0
  O  O43  1  0.443  0.303  0.366  1.0
  O  O44  1  0.335  0.759  0.963  1.0
  O  O45  1  0.665  0.241  0.037  1.0
[/CIF]
.