The material structure described by FeSbS crystallizes in the monoclinic P2_1/c space group. Fe(1) is bonded in a 6-coordinate geometry to three equivalent Sb(1) and three equivalent S(1) atoms. Sb(1) is bonded to three equivalent Fe(1) and one S(1) atom to form distorted SbFe3S tetrahedra that share corners with four equivalent Sb(1)Fe3S tetrahedra, corners with nine equivalent S(1)Fe3Sb tetrahedra, and  an edgeedge with one Sb(1)Fe3S tetrahedra. S(1) is bonded to three equivalent Fe(1) and one Sb(1) atom to form distorted SFe3Sb tetrahedra that share corners with four equivalent S(1)Fe3Sb tetrahedra, corners with nine equivalent Sb(1)Fe3S tetrahedra, and  an edgeedge with one S(1)Fe3Sb tetrahedra. is represented by the CIF file [CIF]
data_FeSbS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.902
_cell_length_b   6.013
_cell_length_c   5.995
_cell_angle_alpha   112.219
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.964
_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  0.983  0.699  0.697  1.0
  Fe  Fe1  1  0.517  0.699  0.197  1.0
  Fe  Fe2  1  0.017  0.301  0.303  1.0
  Fe  Fe3  1  0.483  0.301  0.803  1.0
  Sb  Sb4  1  0.368  0.852  0.630  1.0
  Sb  Sb5  1  0.632  0.148  0.370  1.0
  Sb  Sb6  1  0.132  0.852  0.130  1.0
  Sb  Sb7  1  0.868  0.148  0.870  1.0
  S  S8  1  0.363  0.358  0.171  1.0
  S  S9  1  0.637  0.642  0.829  1.0
  S  S10  1  0.863  0.642  0.329  1.0
  S  S11  1  0.137  0.358  0.671  1.0
[/CIF]
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The material structure described by FeSbS crystallizes in the monoclinic P2_1/c space group. Fe(1) is bonded in a 6-coordinate geometry to three equivalent Sb(1) and three equivalent S(1) atoms. Sb(1) is bonded to three equivalent Fe(1) and one S(1) atom to form distorted SbFe3S tetrahedra that share corners with four equivalent Sb(1)Fe3S tetrahedra, corners with nine equivalent S(1)Fe3Sb tetrahedra, and  an edgeedge with one Sb(1)Fe3S tetrahedra. S(1) is bonded to three equivalent Fe(1) and one Sb(1) atom to form distorted SFe3Sb tetrahedra that share corners with four equivalent S(1)Fe3Sb tetrahedra, corners with nine equivalent Sb(1)Fe3S tetrahedra, and  an edgeedge with one S(1)Fe3Sb tetrahedra. is represented by the CIF file [CIF]
data_FeSbS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.902
_cell_length_b   6.013
_cell_length_c   5.995
_cell_angle_alpha   112.219
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.964
_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  0.983  0.699  0.697  1.0
  Fe  Fe1  1  0.517  0.699  0.197  1.0
  Fe  Fe2  1  0.017  0.301  0.303  1.0
  Fe  Fe3  1  0.483  0.301  0.803  1.0
  Sb  Sb4  1  0.368  0.852  0.630  1.0
  Sb  Sb5  1  0.632  0.148  0.370  1.0
  Sb  Sb6  1  0.132  0.852  0.130  1.0
  Sb  Sb7  1  0.868  0.148  0.870  1.0
  S  S8  1  0.363  0.358  0.171  1.0
  S  S9  1  0.637  0.642  0.829  1.0
  S  S10  1  0.863  0.642  0.329  1.0
  S  S11  1  0.137  0.358  0.671  1.0
[/CIF]
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