The compound described by Fe4Sb3 crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one Fe(1), one Fe(2), and three equivalent Sb(2) atoms. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to one Fe(1), one Fe(2), three equivalent Sb(1), and three equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to six equivalent Fe(2) atoms. In the second Sb site, Sb(2) 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_Fe4Sb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.069
_cell_length_b   4.069
_cell_length_c   9.719
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   139.333
_cell_formula_units_Z   1
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  0.667  0.333  0.123  1.0
  Fe  Fe1  1  0.667  0.333  0.628  1.0
  Fe  Fe2  1  0.667  0.333  0.372  1.0
  Fe  Fe3  1  0.667  0.333  0.877  1.0
  Sb  Sb4  1  0.333  0.667  0.500  1.0
  Sb  Sb5  1  0.000  0.000  0.241  1.0
  Sb  Sb6  1  0.000  0.000  0.759  1.0
[/CIF]
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The compound described by Fe4Sb3 crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one Fe(1), one Fe(2), and three equivalent Sb(2) atoms. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to one Fe(1), one Fe(2), three equivalent Sb(1), and three equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to six equivalent Fe(2) atoms. In the second Sb site, Sb(2) 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_Fe4Sb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.069
_cell_length_b   4.069
_cell_length_c   9.719
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   139.333
_cell_formula_units_Z   1
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  0.667  0.333  0.123  1.0
  Fe  Fe1  1  0.667  0.333  0.628  1.0
  Fe  Fe2  1  0.667  0.333  0.372  1.0
  Fe  Fe3  1  0.667  0.333  0.877  1.0
  Sb  Sb4  1  0.333  0.667  0.500  1.0
  Sb  Sb5  1  0.000  0.000  0.241  1.0
  Sb  Sb6  1  0.000  0.000  0.759  1.0
[/CIF]
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