The compound described by FeS is Molybdenum Carbide MAX Phase-like structured and crystallizes in the trigonal P-3m1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to six equivalent S(1) atoms to form a mixture of edge, corner, and face-sharing FeS6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second Fe site, Fe(2) is bonded to six equivalent S(1) atoms to form a mixture of edge, corner, and face-sharing FeS6 octahedra. The corner-sharing octahedral tilt angles are 49°. S(1) is bonded in a 6-coordinate geometry to three equivalent Fe(1) and three equivalent Fe(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.346
_cell_length_b   3.346
_cell_length_c   5.299
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   51.379
_cell_formula_units_Z   2
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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.000  0.000  0.500  1.0
  S  S2  1  0.333  0.667  0.265  1.0
  S  S3  1  0.667  0.333  0.735  1.0
[/CIF]
.
The compound described by FeS is Molybdenum Carbide MAX Phase-like structured and crystallizes in the trigonal P-3m1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to six equivalent S(1) atoms to form a mixture of edge, corner, and face-sharing FeS6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second Fe site, Fe(2) is bonded to six equivalent S(1) atoms to form a mixture of edge, corner, and face-sharing FeS6 octahedra. The corner-sharing octahedral tilt angles are 49°. S(1) is bonded in a 6-coordinate geometry to three equivalent Fe(1) and three equivalent Fe(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.346
_cell_length_b   3.346
_cell_length_c   5.299
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   51.379
_cell_formula_units_Z   2
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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.000  0.000  0.500  1.0
  S  S2  1  0.333  0.667  0.265  1.0
  S  S3  1  0.667  0.333  0.735  1.0
[/CIF]
.