The structure described by Sc6FeSb2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 5-coordinate geometry to one Fe(1) and four equivalent Sb(1) atoms. In the second Sc site, Sc(2) is bonded in a 4-coordinate geometry to two equivalent Fe(1) and two equivalent Sb(1) atoms. Fe(1) is bonded in a 9-coordinate geometry to three equivalent Sc(1) and six equivalent Sc(2) atoms. Sb(1) is bonded in a 9-coordinate geometry to three equivalent Sc(2) and six equivalent Sc(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc6FeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.661
_cell_length_b   7.661
_cell_length_c   3.949
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   200.718
_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
  Sc  Sc0  1  0.609  1.000  0.500  1.0
  Sc  Sc1  1  0.391  0.391  0.500  1.0
  Sc  Sc2  1  1.000  0.609  0.500  1.0
  Sc  Sc3  1  0.236  1.000  0.000  1.0
  Sc  Sc4  1  0.764  0.764  0.000  1.0
  Sc  Sc5  1  0.000  0.236  0.000  1.0
  Fe  Fe6  1  0.000  0.000  0.500  1.0
  Sb  Sb7  1  0.333  0.667  0.000  1.0
  Sb  Sb8  1  0.667  0.333  0.000  1.0
[/CIF]
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The structure described by Sc6FeSb2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 5-coordinate geometry to one Fe(1) and four equivalent Sb(1) atoms. In the second Sc site, Sc(2) is bonded in a 4-coordinate geometry to two equivalent Fe(1) and two equivalent Sb(1) atoms. Fe(1) is bonded in a 9-coordinate geometry to three equivalent Sc(1) and six equivalent Sc(2) atoms. Sb(1) is bonded in a 9-coordinate geometry to three equivalent Sc(2) and six equivalent Sc(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc6FeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.661
_cell_length_b   7.661
_cell_length_c   3.949
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   200.718
_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
  Sc  Sc0  1  0.609  1.000  0.500  1.0
  Sc  Sc1  1  0.391  0.391  0.500  1.0
  Sc  Sc2  1  1.000  0.609  0.500  1.0
  Sc  Sc3  1  0.236  1.000  0.000  1.0
  Sc  Sc4  1  0.764  0.764  0.000  1.0
  Sc  Sc5  1  0.000  0.236  0.000  1.0
  Fe  Fe6  1  0.000  0.000  0.500  1.0
  Sb  Sb7  1  0.333  0.667  0.000  1.0
  Sb  Sb8  1  0.667  0.333  0.000  1.0
[/CIF]
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