The crystal structure described by FeN4S4Cl3 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four FeN4S4Cl3 clusters. Fe(1) is bonded in a tetrahedral geometry to one N(2), one Cl(1), one Cl(2), and one Cl(3) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a bent 150 degrees geometry to one S(1) and one S(2) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Fe(1), one S(1), and one S(3) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one S(3) and one S(4) atom. In the fourth N site, N(4) is bonded in a bent 150 degrees geometry to one S(2) and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one N(1) and one N(2) atom. In the second S site, S(3) is bonded in a water-like geometry to one N(2) and one N(3) atom. In the third S site, S(2) is bonded in a bent 120 degrees geometry to one N(1) and one N(4) atom. In the fourth S site, S(4) is bonded in a bent 120 degrees geometry to one N(3) and one N(4) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(2) 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(3) is bonded in a single-bond geometry to one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeS4N4Cl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.612
_cell_length_b   6.622
_cell_length_c   13.240
_cell_angle_alpha   80.305
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1176.316
_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  0.011  0.777  0.189  1.0
  Fe  Fe1  1  0.989  0.223  0.811  1.0
  Fe  Fe2  1  0.511  0.223  0.311  1.0
  Fe  Fe3  1  0.489  0.777  0.689  1.0
  S  S4  1  0.410  0.122  0.822  1.0
  S  S5  1  0.090  0.122  0.322  1.0
  S  S6  1  0.837  0.234  0.530  1.0
  S  S7  1  0.784  0.961  0.827  1.0
  S  S8  1  0.716  0.961  0.327  1.0
  S  S9  1  0.284  0.039  0.673  1.0
  S  S10  1  0.216  0.039  0.173  1.0
  S  S11  1  0.910  0.878  0.678  1.0
  S  S12  1  0.337  0.766  0.970  1.0
  S  S13  1  0.663  0.234  0.030  1.0
  S  S14  1  0.590  0.878  0.178  1.0
  S  S15  1  0.796  0.330  0.193  1.0
  S  S16  1  0.296  0.670  0.307  1.0
  S  S17  1  0.204  0.670  0.807  1.0
  S  S18  1  0.163  0.766  0.470  1.0
  S  S19  1  0.704  0.330  0.693  1.0
  N  N20  1  0.382  0.982  0.929  1.0
  N  N21  1  0.396  0.991  0.725  1.0
  N  N22  1  0.896  0.009  0.775  1.0
  N  N23  1  0.604  0.009  0.275  1.0
  N  N24  1  0.709  0.138  0.781  1.0
  N  N25  1  0.287  0.636  0.893  1.0
  N  N26  1  0.618  0.018  0.071  1.0
  N  N27  1  0.791  0.138  0.281  1.0
  N  N28  1  0.209  0.862  0.719  1.0
  N  N29  1  0.104  0.991  0.225  1.0
  N  N30  1  0.213  0.636  0.393  1.0
  N  N31  1  0.291  0.862  0.219  1.0
  N  N32  1  0.713  0.364  0.107  1.0
  N  N33  1  0.787  0.364  0.607  1.0
  N  N34  1  0.882  0.018  0.571  1.0
  N  N35  1  0.118  0.982  0.429  1.0
  Cl  Cl36  1  0.891  0.903  0.086  1.0
  Cl  Cl37  1  0.051  0.363  0.662  1.0
  Cl  Cl38  1  0.949  0.637  0.338  1.0
  Cl  Cl39  1  0.109  0.097  0.914  1.0
  Cl  Cl40  1  0.391  0.097  0.414  1.0
  Cl  Cl41  1  0.100  0.562  0.120  1.0
  Cl  Cl42  1  0.449  0.363  0.162  1.0
  Cl  Cl43  1  0.551  0.637  0.838  1.0
  Cl  Cl44  1  0.900  0.438  0.880  1.0
  Cl  Cl45  1  0.400  0.562  0.620  1.0
  Cl  Cl46  1  0.609  0.903  0.586  1.0
  Cl  Cl47  1  0.600  0.438  0.380  1.0
[/CIF]
.
The crystal structure described by FeN4S4Cl3 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four FeN4S4Cl3 clusters. Fe(1) is bonded in a tetrahedral geometry to one N(2), one Cl(1), one Cl(2), and one Cl(3) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a bent 150 degrees geometry to one S(1) and one S(2) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Fe(1), one S(1), and one S(3) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one S(3) and one S(4) atom. In the fourth N site, N(4) is bonded in a bent 150 degrees geometry to one S(2) and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one N(1) and one N(2) atom. In the second S site, S(3) is bonded in a water-like geometry to one N(2) and one N(3) atom. In the third S site, S(2) is bonded in a bent 120 degrees geometry to one N(1) and one N(4) atom. In the fourth S site, S(4) is bonded in a bent 120 degrees geometry to one N(3) and one N(4) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(2) 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(3) is bonded in a single-bond geometry to one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeS4N4Cl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.612
_cell_length_b   6.622
_cell_length_c   13.240
_cell_angle_alpha   80.305
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1176.316
_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  0.011  0.777  0.189  1.0
  Fe  Fe1  1  0.989  0.223  0.811  1.0
  Fe  Fe2  1  0.511  0.223  0.311  1.0
  Fe  Fe3  1  0.489  0.777  0.689  1.0
  S  S4  1  0.410  0.122  0.822  1.0
  S  S5  1  0.090  0.122  0.322  1.0
  S  S6  1  0.837  0.234  0.530  1.0
  S  S7  1  0.784  0.961  0.827  1.0
  S  S8  1  0.716  0.961  0.327  1.0
  S  S9  1  0.284  0.039  0.673  1.0
  S  S10  1  0.216  0.039  0.173  1.0
  S  S11  1  0.910  0.878  0.678  1.0
  S  S12  1  0.337  0.766  0.970  1.0
  S  S13  1  0.663  0.234  0.030  1.0
  S  S14  1  0.590  0.878  0.178  1.0
  S  S15  1  0.796  0.330  0.193  1.0
  S  S16  1  0.296  0.670  0.307  1.0
  S  S17  1  0.204  0.670  0.807  1.0
  S  S18  1  0.163  0.766  0.470  1.0
  S  S19  1  0.704  0.330  0.693  1.0
  N  N20  1  0.382  0.982  0.929  1.0
  N  N21  1  0.396  0.991  0.725  1.0
  N  N22  1  0.896  0.009  0.775  1.0
  N  N23  1  0.604  0.009  0.275  1.0
  N  N24  1  0.709  0.138  0.781  1.0
  N  N25  1  0.287  0.636  0.893  1.0
  N  N26  1  0.618  0.018  0.071  1.0
  N  N27  1  0.791  0.138  0.281  1.0
  N  N28  1  0.209  0.862  0.719  1.0
  N  N29  1  0.104  0.991  0.225  1.0
  N  N30  1  0.213  0.636  0.393  1.0
  N  N31  1  0.291  0.862  0.219  1.0
  N  N32  1  0.713  0.364  0.107  1.0
  N  N33  1  0.787  0.364  0.607  1.0
  N  N34  1  0.882  0.018  0.571  1.0
  N  N35  1  0.118  0.982  0.429  1.0
  Cl  Cl36  1  0.891  0.903  0.086  1.0
  Cl  Cl37  1  0.051  0.363  0.662  1.0
  Cl  Cl38  1  0.949  0.637  0.338  1.0
  Cl  Cl39  1  0.109  0.097  0.914  1.0
  Cl  Cl40  1  0.391  0.097  0.414  1.0
  Cl  Cl41  1  0.100  0.562  0.120  1.0
  Cl  Cl42  1  0.449  0.363  0.162  1.0
  Cl  Cl43  1  0.551  0.637  0.838  1.0
  Cl  Cl44  1  0.900  0.438  0.880  1.0
  Cl  Cl45  1  0.400  0.562  0.620  1.0
  Cl  Cl46  1  0.609  0.903  0.586  1.0
  Cl  Cl47  1  0.600  0.438  0.380  1.0
[/CIF]
.