The material structure described by Fe2S3 is Corundum structured and crystallizes in the trigonal R-3c space group. Fe(1) is bonded to six equivalent S(1) atoms to form a mixture of edge, face, and corner-sharing FeS6 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. S(1) is bonded to four equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing SFe4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.949
_cell_length_b   5.949
_cell_length_c   5.949
_cell_angle_alpha   57.640
_cell_angle_beta   57.640
_cell_angle_gamma   57.640
_symmetry_Int_Tables_number   1
_cell_volume   140.782
_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  0.846  0.846  0.846  1.0
  Fe  Fe1  1  0.654  0.654  0.654  1.0
  Fe  Fe2  1  0.154  0.154  0.154  1.0
  Fe  Fe3  1  0.346  0.346  0.346  1.0
  S  S4  1  0.750  0.067  0.433  1.0
  S  S5  1  0.433  0.750  0.067  1.0
  S  S6  1  0.067  0.433  0.750  1.0
  S  S7  1  0.250  0.933  0.567  1.0
  S  S8  1  0.933  0.567  0.250  1.0
  S  S9  1  0.567  0.250  0.933  1.0
[/CIF]
.
The material structure described by Fe2S3 is Corundum structured and crystallizes in the trigonal R-3c space group. Fe(1) is bonded to six equivalent S(1) atoms to form a mixture of edge, face, and corner-sharing FeS6 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. S(1) is bonded to four equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing SFe4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.949
_cell_length_b   5.949
_cell_length_c   5.949
_cell_angle_alpha   57.640
_cell_angle_beta   57.640
_cell_angle_gamma   57.640
_symmetry_Int_Tables_number   1
_cell_volume   140.782
_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  0.846  0.846  0.846  1.0
  Fe  Fe1  1  0.654  0.654  0.654  1.0
  Fe  Fe2  1  0.154  0.154  0.154  1.0
  Fe  Fe3  1  0.346  0.346  0.346  1.0
  S  S4  1  0.750  0.067  0.433  1.0
  S  S5  1  0.433  0.750  0.067  1.0
  S  S6  1  0.067  0.433  0.750  1.0
  S  S7  1  0.250  0.933  0.567  1.0
  S  S8  1  0.933  0.567  0.250  1.0
  S  S9  1  0.567  0.250  0.933  1.0
[/CIF]
.