The crystal structure described by FeS crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one S(3), two equivalent S(2), and three equivalent S(1) atoms. In the second Fe site, Fe(2) is bonded to one S(1), two equivalent S(2), and two equivalent S(3) atoms to form distorted corner-sharing FeS5 trigonal bipyramids. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one S(1), two equivalent S(2), and three equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Fe(2), one Fe(3), and three equivalent Fe(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), and two equivalent Fe(3) atoms. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Fe(1), two equivalent Fe(2), and three equivalent Fe(3) atoms. is represented by the CIF card [CIF]
data_FeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.647
_cell_length_b   6.520
_cell_length_c   7.941
_cell_angle_alpha   88.907
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   292.325
_cell_formula_units_Z   12
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  0.726  0.541  0.924  1.0
  Fe  Fe1  1  0.226  0.459  0.576  1.0
  Fe  Fe2  1  0.274  0.459  0.076  1.0
  Fe  Fe3  1  0.774  0.541  0.424  1.0
  Fe  Fe4  1  0.292  0.826  0.711  1.0
  Fe  Fe5  1  0.792  0.174  0.789  1.0
  Fe  Fe6  1  0.708  0.174  0.289  1.0
  Fe  Fe7  1  0.208  0.826  0.211  1.0
  Fe  Fe8  1  0.699  0.909  0.562  1.0
  Fe  Fe9  1  0.199  0.091  0.938  1.0
  Fe  Fe10  1  0.301  0.091  0.438  1.0
  Fe  Fe11  1  0.801  0.909  0.062  1.0
  S  S12  1  0.073  0.407  0.839  1.0
  S  S13  1  0.573  0.593  0.661  1.0
  S  S14  1  0.927  0.593  0.161  1.0
  S  S15  1  0.427  0.407  0.339  1.0
  S  S16  1  0.586  0.242  0.024  1.0
  S  S17  1  0.086  0.758  0.476  1.0
  S  S18  1  0.414  0.758  0.976  1.0
  S  S19  1  0.914  0.242  0.524  1.0
  S  S20  1  0.433  0.131  0.690  1.0
  S  S21  1  0.933  0.869  0.810  1.0
  S  S22  1  0.567  0.869  0.310  1.0
  S  S23  1  0.067  0.131  0.190  1.0
[/CIF]
.
The crystal structure described by FeS crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one S(3), two equivalent S(2), and three equivalent S(1) atoms. In the second Fe site, Fe(2) is bonded to one S(1), two equivalent S(2), and two equivalent S(3) atoms to form distorted corner-sharing FeS5 trigonal bipyramids. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one S(1), two equivalent S(2), and three equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Fe(2), one Fe(3), and three equivalent Fe(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), and two equivalent Fe(3) atoms. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Fe(1), two equivalent Fe(2), and three equivalent Fe(3) atoms. is represented by the CIF card [CIF]
data_FeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.647
_cell_length_b   6.520
_cell_length_c   7.941
_cell_angle_alpha   88.907
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   292.325
_cell_formula_units_Z   12
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  0.726  0.541  0.924  1.0
  Fe  Fe1  1  0.226  0.459  0.576  1.0
  Fe  Fe2  1  0.274  0.459  0.076  1.0
  Fe  Fe3  1  0.774  0.541  0.424  1.0
  Fe  Fe4  1  0.292  0.826  0.711  1.0
  Fe  Fe5  1  0.792  0.174  0.789  1.0
  Fe  Fe6  1  0.708  0.174  0.289  1.0
  Fe  Fe7  1  0.208  0.826  0.211  1.0
  Fe  Fe8  1  0.699  0.909  0.562  1.0
  Fe  Fe9  1  0.199  0.091  0.938  1.0
  Fe  Fe10  1  0.301  0.091  0.438  1.0
  Fe  Fe11  1  0.801  0.909  0.062  1.0
  S  S12  1  0.073  0.407  0.839  1.0
  S  S13  1  0.573  0.593  0.661  1.0
  S  S14  1  0.927  0.593  0.161  1.0
  S  S15  1  0.427  0.407  0.339  1.0
  S  S16  1  0.586  0.242  0.024  1.0
  S  S17  1  0.086  0.758  0.476  1.0
  S  S18  1  0.414  0.758  0.976  1.0
  S  S19  1  0.914  0.242  0.524  1.0
  S  S20  1  0.433  0.131  0.690  1.0
  S  S21  1  0.933  0.869  0.810  1.0
  S  S22  1  0.567  0.869  0.310  1.0
  S  S23  1  0.067  0.131  0.190  1.0
[/CIF]
.