The structure described by FeSb2S4 crystallizes in the orthorhombic Pnma space group. Fe(1) is bonded to one S(2), one S(3), two equivalent S(1), and two equivalent S(4) atoms to form edge-sharing FeS6 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to two equivalent S(3) and three equivalent S(4) atoms. In the second Sb site, Sb(2) is bonded in a distorted trigonal non-coplanar geometry to one S(1) and two equivalent S(2) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to two equivalent Fe(1) and one Sb(2) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Fe(1) and two equivalent Sb(2) atoms. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Fe(1) and two equivalent Sb(1) atoms. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to two equivalent Fe(1) and three equivalent Sb(1) atoms. is represented by the CIF card [CIF]
data_Fe(SbS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.632
_cell_length_b   11.295
_cell_length_c   13.739
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   563.542
_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  0.250  0.830  0.837  1.0
  Fe  Fe1  1  0.250  0.330  0.663  1.0
  Fe  Fe2  1  0.750  0.170  0.163  1.0
  Fe  Fe3  1  0.750  0.670  0.337  1.0
  Sb  Sb4  1  0.250  0.649  0.575  1.0
  Sb  Sb5  1  0.250  0.149  0.925  1.0
  Sb  Sb6  1  0.750  0.351  0.425  1.0
  Sb  Sb7  1  0.750  0.851  0.075  1.0
  Sb  Sb8  1  0.750  0.534  0.889  1.0
  Sb  Sb9  1  0.750  0.034  0.611  1.0
  Sb  Sb10  1  0.250  0.466  0.111  1.0
  Sb  Sb11  1  0.250  0.966  0.389  1.0
  S  S12  1  0.750  0.716  0.781  1.0
  S  S13  1  0.750  0.216  0.719  1.0
  S  S14  1  0.250  0.284  0.219  1.0
  S  S15  1  0.250  0.784  0.281  1.0
  S  S16  1  0.250  0.904  0.687  1.0
  S  S17  1  0.250  0.404  0.813  1.0
  S  S18  1  0.750  0.096  0.313  1.0
  S  S19  1  0.750  0.596  0.187  1.0
  S  S20  1  0.250  0.733  0.982  1.0
  S  S21  1  0.250  0.233  0.518  1.0
  S  S22  1  0.750  0.267  0.018  1.0
  S  S23  1  0.750  0.767  0.482  1.0
  S  S24  1  0.750  0.939  0.898  1.0
  S  S25  1  0.750  0.439  0.602  1.0
  S  S26  1  0.250  0.061  0.102  1.0
  S  S27  1  0.250  0.561  0.398  1.0
[/CIF]
.
The structure described by FeSb2S4 crystallizes in the orthorhombic Pnma space group. Fe(1) is bonded to one S(2), one S(3), two equivalent S(1), and two equivalent S(4) atoms to form edge-sharing FeS6 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to two equivalent S(3) and three equivalent S(4) atoms. In the second Sb site, Sb(2) is bonded in a distorted trigonal non-coplanar geometry to one S(1) and two equivalent S(2) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to two equivalent Fe(1) and one Sb(2) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Fe(1) and two equivalent Sb(2) atoms. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Fe(1) and two equivalent Sb(1) atoms. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to two equivalent Fe(1) and three equivalent Sb(1) atoms. is represented by the CIF card [CIF]
data_Fe(SbS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.632
_cell_length_b   11.295
_cell_length_c   13.739
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   563.542
_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  0.250  0.830  0.837  1.0
  Fe  Fe1  1  0.250  0.330  0.663  1.0
  Fe  Fe2  1  0.750  0.170  0.163  1.0
  Fe  Fe3  1  0.750  0.670  0.337  1.0
  Sb  Sb4  1  0.250  0.649  0.575  1.0
  Sb  Sb5  1  0.250  0.149  0.925  1.0
  Sb  Sb6  1  0.750  0.351  0.425  1.0
  Sb  Sb7  1  0.750  0.851  0.075  1.0
  Sb  Sb8  1  0.750  0.534  0.889  1.0
  Sb  Sb9  1  0.750  0.034  0.611  1.0
  Sb  Sb10  1  0.250  0.466  0.111  1.0
  Sb  Sb11  1  0.250  0.966  0.389  1.0
  S  S12  1  0.750  0.716  0.781  1.0
  S  S13  1  0.750  0.216  0.719  1.0
  S  S14  1  0.250  0.284  0.219  1.0
  S  S15  1  0.250  0.784  0.281  1.0
  S  S16  1  0.250  0.904  0.687  1.0
  S  S17  1  0.250  0.404  0.813  1.0
  S  S18  1  0.750  0.096  0.313  1.0
  S  S19  1  0.750  0.596  0.187  1.0
  S  S20  1  0.250  0.733  0.982  1.0
  S  S21  1  0.250  0.233  0.518  1.0
  S  S22  1  0.750  0.267  0.018  1.0
  S  S23  1  0.750  0.767  0.482  1.0
  S  S24  1  0.750  0.939  0.898  1.0
  S  S25  1  0.750  0.439  0.602  1.0
  S  S26  1  0.250  0.061  0.102  1.0
  S  S27  1  0.250  0.561  0.398  1.0
[/CIF]
.