The material structure described by FeC3SO3 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two FeC3SO3 clusters. There are two 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 S(1), and one S(2) 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 S(1), and one S(2) atom. There are six inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Fe(1) and one O(1,6) atom. In the second C site, C(2) is bonded in a linear geometry to one Fe(1) and one O(3) atom. In the third C site, C(3) is bonded in a linear geometry to one Fe(1) and one O(2) atom. In the fourth C site, C(4) is bonded in a linear geometry to one Fe(2) and one O(5) atom. In the fifth C site, C(5) is bonded in a linear geometry to one Fe(2) and one O(1,6) atom. In the sixth C site, C(6) is bonded in a linear geometry to one Fe(2) and one O(4) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one S(2) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one S(1) atom. There are five inequivalent O sites. In the first O site, O(1,6) 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(3) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(6) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one C(4) atom. is represented by the CIF file [CIF]
data_FeC3SO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.746
_cell_length_b   7.913
_cell_length_c   11.630
_cell_angle_alpha   83.418
_cell_angle_beta   76.159
_cell_angle_gamma   78.179
_symmetry_Int_Tables_number   1
_cell_volume   588.607
_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  0.787  0.186  0.762  1.0
  Fe  Fe1  1  0.213  0.814  0.238  1.0
  Fe  Fe2  1  0.361  0.490  0.281  1.0
  Fe  Fe3  1  0.639  0.510  0.719  1.0
  C  C4  1  0.451  0.893  0.178  1.0
  C  C5  1  0.957  0.985  0.726  1.0
  C  C6  1  0.156  0.795  0.097  1.0
  C  C7  1  0.844  0.205  0.903  1.0
  C  C8  1  0.629  0.506  0.224  1.0
  C  C9  1  0.549  0.107  0.822  1.0
  C  C10  1  0.332  0.405  0.150  1.0
  C  C11  1  0.611  0.709  0.629  1.0
  C  C12  1  0.389  0.291  0.371  1.0
  C  C13  1  0.043  0.015  0.274  1.0
  C  C14  1  0.668  0.595  0.850  1.0
  C  C15  1  0.371  0.494  0.776  1.0
  S  S16  1  0.966  0.377  0.644  1.0
  S  S17  1  0.034  0.623  0.356  1.0
  S  S18  1  0.738  0.309  0.582  1.0
  S  S19  1  0.262  0.691  0.418  1.0
  O  O20  1  0.603  0.947  0.140  1.0
  O  O21  1  0.120  0.783  0.006  1.0
  O  O22  1  0.068  0.854  0.706  1.0
  O  O23  1  0.411  0.159  0.426  1.0
  O  O24  1  0.589  0.841  0.574  1.0
  O  O25  1  0.199  0.483  0.813  1.0
  O  O26  1  0.397  0.053  0.860  1.0
  O  O27  1  0.801  0.517  0.187  1.0
  O  O28  1  0.684  0.653  0.933  1.0
  O  O29  1  0.880  0.217  0.994  1.0
  O  O30  1  0.932  0.146  0.294  1.0
  O  O31  1  0.316  0.347  0.067  1.0
[/CIF]
.
The material structure described by FeC3SO3 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two FeC3SO3 clusters. There are two 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 S(1), and one S(2) 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 S(1), and one S(2) atom. There are six inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Fe(1) and one O(1,6) atom. In the second C site, C(2) is bonded in a linear geometry to one Fe(1) and one O(3) atom. In the third C site, C(3) is bonded in a linear geometry to one Fe(1) and one O(2) atom. In the fourth C site, C(4) is bonded in a linear geometry to one Fe(2) and one O(5) atom. In the fifth C site, C(5) is bonded in a linear geometry to one Fe(2) and one O(1,6) atom. In the sixth C site, C(6) is bonded in a linear geometry to one Fe(2) and one O(4) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one S(2) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one S(1) atom. There are five inequivalent O sites. In the first O site, O(1,6) 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(3) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(6) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one C(4) atom. is represented by the CIF file [CIF]
data_FeC3SO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.746
_cell_length_b   7.913
_cell_length_c   11.630
_cell_angle_alpha   83.418
_cell_angle_beta   76.159
_cell_angle_gamma   78.179
_symmetry_Int_Tables_number   1
_cell_volume   588.607
_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  0.787  0.186  0.762  1.0
  Fe  Fe1  1  0.213  0.814  0.238  1.0
  Fe  Fe2  1  0.361  0.490  0.281  1.0
  Fe  Fe3  1  0.639  0.510  0.719  1.0
  C  C4  1  0.451  0.893  0.178  1.0
  C  C5  1  0.957  0.985  0.726  1.0
  C  C6  1  0.156  0.795  0.097  1.0
  C  C7  1  0.844  0.205  0.903  1.0
  C  C8  1  0.629  0.506  0.224  1.0
  C  C9  1  0.549  0.107  0.822  1.0
  C  C10  1  0.332  0.405  0.150  1.0
  C  C11  1  0.611  0.709  0.629  1.0
  C  C12  1  0.389  0.291  0.371  1.0
  C  C13  1  0.043  0.015  0.274  1.0
  C  C14  1  0.668  0.595  0.850  1.0
  C  C15  1  0.371  0.494  0.776  1.0
  S  S16  1  0.966  0.377  0.644  1.0
  S  S17  1  0.034  0.623  0.356  1.0
  S  S18  1  0.738  0.309  0.582  1.0
  S  S19  1  0.262  0.691  0.418  1.0
  O  O20  1  0.603  0.947  0.140  1.0
  O  O21  1  0.120  0.783  0.006  1.0
  O  O22  1  0.068  0.854  0.706  1.0
  O  O23  1  0.411  0.159  0.426  1.0
  O  O24  1  0.589  0.841  0.574  1.0
  O  O25  1  0.199  0.483  0.813  1.0
  O  O26  1  0.397  0.053  0.860  1.0
  O  O27  1  0.801  0.517  0.187  1.0
  O  O28  1  0.684  0.653  0.933  1.0
  O  O29  1  0.880  0.217  0.994  1.0
  O  O30  1  0.932  0.146  0.294  1.0
  O  O31  1  0.316  0.347  0.067  1.0
[/CIF]
.