The crystal structure described by FeCl4SCl3 is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two FeCl4 clusters and four SCl3 clusters. In each FeCl4 cluster, Fe(1) is bonded to one Cl(1), one Cl(6), one Cl(7), and two equivalent Cl(5) atoms to form distorted edge-sharing FeCl5 trigonal bipyramids. There are four inequivalent Cl sites. In the first Cl site, Cl(7) is bonded in a single-bond geometry to one Fe(1) atom. In the second Cl site, Cl(1) is bonded in a single-bond geometry to one Fe(1) atom. In the third Cl site, Cl(5) is bonded in a water-like geometry to two equivalent Fe(1) atoms. In the fourth Cl site, Cl(6) is bonded in a single-bond geometry to one Fe(1) atom. In each SCl3 cluster, S(1) is bonded in a trigonal non-coplanar geometry to one Cl(2), one Cl(3), and one Cl(4) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(3) is bonded in a single-bond geometry to one S(1) atom. In the second Cl site, Cl(4) is bonded in a single-bond geometry to one S(1) atom. In the third Cl site, Cl(2) is bonded in a single-bond geometry to one S(1) atom. is represented by the CIF card [CIF]
data_FeSCl7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.599
_cell_length_b   7.126
_cell_length_c   12.172
_cell_angle_alpha   72.370
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1041.453
_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  0.476  0.865  0.160  1.0
  Fe  Fe1  1  0.976  0.136  0.340  1.0
  Fe  Fe2  1  0.524  0.136  0.840  1.0
  Fe  Fe3  1  0.024  0.865  0.660  1.0
  S  S4  1  0.754  0.542  0.045  1.0
  S  S5  1  0.254  0.458  0.455  1.0
  S  S6  1  0.246  0.458  0.955  1.0
  S  S7  1  0.746  0.542  0.545  1.0
  Cl  Cl8  1  0.571  0.592  0.191  1.0
  Cl  Cl9  1  0.071  0.408  0.309  1.0
  Cl  Cl10  1  0.429  0.408  0.809  1.0
  Cl  Cl11  1  0.929  0.592  0.691  1.0
  Cl  Cl12  1  0.673  0.706  0.903  1.0
  Cl  Cl13  1  0.173  0.294  0.597  1.0
  Cl  Cl14  1  0.327  0.294  0.097  1.0
  Cl  Cl15  1  0.827  0.706  0.403  1.0
  Cl  Cl16  1  0.863  0.416  0.970  1.0
  Cl  Cl17  1  0.363  0.584  0.530  1.0
  Cl  Cl18  1  0.137  0.584  0.030  1.0
  Cl  Cl19  1  0.637  0.416  0.470  1.0
  Cl  Cl20  1  0.840  0.746  0.089  1.0
  Cl  Cl21  1  0.340  0.254  0.411  1.0
  Cl  Cl22  1  0.160  0.254  0.911  1.0
  Cl  Cl23  1  0.660  0.746  0.589  1.0
  Cl  Cl24  1  0.599  0.105  0.028  1.0
  Cl  Cl25  1  0.099  0.895  0.472  1.0
  Cl  Cl26  1  0.401  0.895  0.972  1.0
  Cl  Cl27  1  0.901  0.105  0.528  1.0
  Cl  Cl28  1  0.311  0.753  0.235  1.0
  Cl  Cl29  1  0.811  0.247  0.265  1.0
  Cl  Cl30  1  0.689  0.247  0.765  1.0
  Cl  Cl31  1  0.189  0.753  0.735  1.0
  Cl  Cl32  1  0.511  0.014  0.294  1.0
  Cl  Cl33  1  0.011  0.986  0.206  1.0
  Cl  Cl34  1  0.489  0.986  0.706  1.0
  Cl  Cl35  1  0.989  0.014  0.794  1.0
[/CIF]
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The crystal structure described by FeCl4SCl3 is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two FeCl4 clusters and four SCl3 clusters. In each FeCl4 cluster, Fe(1) is bonded to one Cl(1), one Cl(6), one Cl(7), and two equivalent Cl(5) atoms to form distorted edge-sharing FeCl5 trigonal bipyramids. There are four inequivalent Cl sites. In the first Cl site, Cl(7) is bonded in a single-bond geometry to one Fe(1) atom. In the second Cl site, Cl(1) is bonded in a single-bond geometry to one Fe(1) atom. In the third Cl site, Cl(5) is bonded in a water-like geometry to two equivalent Fe(1) atoms. In the fourth Cl site, Cl(6) is bonded in a single-bond geometry to one Fe(1) atom. In each SCl3 cluster, S(1) is bonded in a trigonal non-coplanar geometry to one Cl(2), one Cl(3), and one Cl(4) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(3) is bonded in a single-bond geometry to one S(1) atom. In the second Cl site, Cl(4) is bonded in a single-bond geometry to one S(1) atom. In the third Cl site, Cl(2) is bonded in a single-bond geometry to one S(1) atom. is represented by the CIF card [CIF]
data_FeSCl7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.599
_cell_length_b   7.126
_cell_length_c   12.172
_cell_angle_alpha   72.370
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1041.453
_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  0.476  0.865  0.160  1.0
  Fe  Fe1  1  0.976  0.136  0.340  1.0
  Fe  Fe2  1  0.524  0.136  0.840  1.0
  Fe  Fe3  1  0.024  0.865  0.660  1.0
  S  S4  1  0.754  0.542  0.045  1.0
  S  S5  1  0.254  0.458  0.455  1.0
  S  S6  1  0.246  0.458  0.955  1.0
  S  S7  1  0.746  0.542  0.545  1.0
  Cl  Cl8  1  0.571  0.592  0.191  1.0
  Cl  Cl9  1  0.071  0.408  0.309  1.0
  Cl  Cl10  1  0.429  0.408  0.809  1.0
  Cl  Cl11  1  0.929  0.592  0.691  1.0
  Cl  Cl12  1  0.673  0.706  0.903  1.0
  Cl  Cl13  1  0.173  0.294  0.597  1.0
  Cl  Cl14  1  0.327  0.294  0.097  1.0
  Cl  Cl15  1  0.827  0.706  0.403  1.0
  Cl  Cl16  1  0.863  0.416  0.970  1.0
  Cl  Cl17  1  0.363  0.584  0.530  1.0
  Cl  Cl18  1  0.137  0.584  0.030  1.0
  Cl  Cl19  1  0.637  0.416  0.470  1.0
  Cl  Cl20  1  0.840  0.746  0.089  1.0
  Cl  Cl21  1  0.340  0.254  0.411  1.0
  Cl  Cl22  1  0.160  0.254  0.911  1.0
  Cl  Cl23  1  0.660  0.746  0.589  1.0
  Cl  Cl24  1  0.599  0.105  0.028  1.0
  Cl  Cl25  1  0.099  0.895  0.472  1.0
  Cl  Cl26  1  0.401  0.895  0.972  1.0
  Cl  Cl27  1  0.901  0.105  0.528  1.0
  Cl  Cl28  1  0.311  0.753  0.235  1.0
  Cl  Cl29  1  0.811  0.247  0.265  1.0
  Cl  Cl30  1  0.689  0.247  0.765  1.0
  Cl  Cl31  1  0.189  0.753  0.735  1.0
  Cl  Cl32  1  0.511  0.014  0.294  1.0
  Cl  Cl33  1  0.011  0.986  0.206  1.0
  Cl  Cl34  1  0.489  0.986  0.706  1.0
  Cl  Cl35  1  0.989  0.014  0.794  1.0
[/CIF]
.