The material 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(4), 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(2) and one S(3) atom. In the second N site, N(2) is bonded in a bent 150 degrees geometry to one S(1) and one S(4) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one S(2) and one S(4) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Fe(1), one S(1), and one S(3) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one N(2) and one N(4) atom. In the second S site, S(2) is bonded in a bent 120 degrees geometry to one N(1) and one N(3) atom. In the third S site, S(4) is bonded in a bent 120 degrees geometry to one N(2) and one N(3) atom. In the fourth S site, S(3) is bonded in a water-like geometry to one N(1) and one N(4) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Fe(1) atom. In the second Cl site, Cl(2) 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 CIF file [CIF]
data_FeS4N4Cl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.799
_cell_length_b   7.102
_cell_length_c   14.500
_cell_angle_alpha   84.683
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1209.886
_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  0.404  0.231  0.239  1.0
  Fe  Fe1  1  0.096  0.231  0.739  1.0
  Fe  Fe2  1  0.596  0.769  0.761  1.0
  Fe  Fe3  1  0.904  0.769  0.261  1.0
  S  S4  1  0.646  0.734  0.176  1.0
  S  S5  1  0.381  0.208  0.537  1.0
  S  S6  1  0.146  0.266  0.324  1.0
  S  S7  1  0.192  0.501  0.891  1.0
  S  S8  1  0.299  0.962  0.972  1.0
  S  S9  1  0.701  0.038  0.028  1.0
  S  S10  1  0.799  0.038  0.528  1.0
  S  S11  1  0.881  0.792  0.963  1.0
  S  S12  1  0.119  0.208  0.037  1.0
  S  S13  1  0.692  0.499  0.609  1.0
  S  S14  1  0.201  0.962  0.472  1.0
  S  S15  1  0.354  0.266  0.824  1.0
  S  S16  1  0.308  0.501  0.391  1.0
  S  S17  1  0.854  0.734  0.676  1.0
  S  S18  1  0.808  0.499  0.109  1.0
  S  S19  1  0.619  0.792  0.463  1.0
  N  N20  1  0.860  0.592  0.014  1.0
  N  N21  1  0.868  0.914  0.603  1.0
  N  N22  1  0.825  0.973  0.001  1.0
  N  N23  1  0.632  0.914  0.103  1.0
  N  N24  1  0.368  0.086  0.897  1.0
  N  N25  1  0.718  0.664  0.682  1.0
  N  N26  1  0.175  0.027  0.999  1.0
  N  N27  1  0.325  0.027  0.499  1.0
  N  N28  1  0.675  0.973  0.501  1.0
  N  N29  1  0.132  0.086  0.397  1.0
  N  N30  1  0.360  0.408  0.486  1.0
  N  N31  1  0.782  0.664  0.182  1.0
  N  N32  1  0.218  0.336  0.818  1.0
  N  N33  1  0.140  0.408  0.986  1.0
  N  N34  1  0.640  0.592  0.514  1.0
  N  N35  1  0.282  0.336  0.318  1.0
  Cl  Cl36  1  0.599  0.621  0.901  1.0
  Cl  Cl37  1  0.099  0.379  0.599  1.0
  Cl  Cl38  1  0.863  0.070  0.264  1.0
  Cl  Cl39  1  0.901  0.621  0.401  1.0
  Cl  Cl40  1  0.401  0.379  0.099  1.0
  Cl  Cl41  1  0.436  0.717  0.692  1.0
  Cl  Cl42  1  0.936  0.283  0.808  1.0
  Cl  Cl43  1  0.137  0.930  0.736  1.0
  Cl  Cl44  1  0.637  0.070  0.764  1.0
  Cl  Cl45  1  0.564  0.283  0.308  1.0
  Cl  Cl46  1  0.363  0.930  0.236  1.0
  Cl  Cl47  1  0.064  0.717  0.192  1.0
[/CIF]
.
The material 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(4), 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(2) and one S(3) atom. In the second N site, N(2) is bonded in a bent 150 degrees geometry to one S(1) and one S(4) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one S(2) and one S(4) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Fe(1), one S(1), and one S(3) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one N(2) and one N(4) atom. In the second S site, S(2) is bonded in a bent 120 degrees geometry to one N(1) and one N(3) atom. In the third S site, S(4) is bonded in a bent 120 degrees geometry to one N(2) and one N(3) atom. In the fourth S site, S(3) is bonded in a water-like geometry to one N(1) and one N(4) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Fe(1) atom. In the second Cl site, Cl(2) 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 CIF file [CIF]
data_FeS4N4Cl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.799
_cell_length_b   7.102
_cell_length_c   14.500
_cell_angle_alpha   84.683
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1209.886
_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  0.404  0.231  0.239  1.0
  Fe  Fe1  1  0.096  0.231  0.739  1.0
  Fe  Fe2  1  0.596  0.769  0.761  1.0
  Fe  Fe3  1  0.904  0.769  0.261  1.0
  S  S4  1  0.646  0.734  0.176  1.0
  S  S5  1  0.381  0.208  0.537  1.0
  S  S6  1  0.146  0.266  0.324  1.0
  S  S7  1  0.192  0.501  0.891  1.0
  S  S8  1  0.299  0.962  0.972  1.0
  S  S9  1  0.701  0.038  0.028  1.0
  S  S10  1  0.799  0.038  0.528  1.0
  S  S11  1  0.881  0.792  0.963  1.0
  S  S12  1  0.119  0.208  0.037  1.0
  S  S13  1  0.692  0.499  0.609  1.0
  S  S14  1  0.201  0.962  0.472  1.0
  S  S15  1  0.354  0.266  0.824  1.0
  S  S16  1  0.308  0.501  0.391  1.0
  S  S17  1  0.854  0.734  0.676  1.0
  S  S18  1  0.808  0.499  0.109  1.0
  S  S19  1  0.619  0.792  0.463  1.0
  N  N20  1  0.860  0.592  0.014  1.0
  N  N21  1  0.868  0.914  0.603  1.0
  N  N22  1  0.825  0.973  0.001  1.0
  N  N23  1  0.632  0.914  0.103  1.0
  N  N24  1  0.368  0.086  0.897  1.0
  N  N25  1  0.718  0.664  0.682  1.0
  N  N26  1  0.175  0.027  0.999  1.0
  N  N27  1  0.325  0.027  0.499  1.0
  N  N28  1  0.675  0.973  0.501  1.0
  N  N29  1  0.132  0.086  0.397  1.0
  N  N30  1  0.360  0.408  0.486  1.0
  N  N31  1  0.782  0.664  0.182  1.0
  N  N32  1  0.218  0.336  0.818  1.0
  N  N33  1  0.140  0.408  0.986  1.0
  N  N34  1  0.640  0.592  0.514  1.0
  N  N35  1  0.282  0.336  0.318  1.0
  Cl  Cl36  1  0.599  0.621  0.901  1.0
  Cl  Cl37  1  0.099  0.379  0.599  1.0
  Cl  Cl38  1  0.863  0.070  0.264  1.0
  Cl  Cl39  1  0.901  0.621  0.401  1.0
  Cl  Cl40  1  0.401  0.379  0.099  1.0
  Cl  Cl41  1  0.436  0.717  0.692  1.0
  Cl  Cl42  1  0.936  0.283  0.808  1.0
  Cl  Cl43  1  0.137  0.930  0.736  1.0
  Cl  Cl44  1  0.637  0.070  0.764  1.0
  Cl  Cl45  1  0.564  0.283  0.308  1.0
  Cl  Cl46  1  0.363  0.930  0.236  1.0
  Cl  Cl47  1  0.064  0.717  0.192  1.0
[/CIF]
.