The material described by Y6FeSb2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 4-coordinate geometry to two equivalent Fe(1) and two equivalent Sb(1) atoms. In the second Y site, Y(2) is bonded in a 5-coordinate geometry to one Fe(1) and four equivalent Sb(1) atoms. Fe(1) is bonded in a 9-coordinate geometry to three equivalent Y(2) and six equivalent Y(1) atoms. Sb(1) is bonded in a 9-coordinate geometry to three equivalent Y(1) and six equivalent Y(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y6FeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.151
_cell_length_b   8.234
_cell_length_c   8.234
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   243.709
_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
  Y  Y0  1  0.000  0.000  0.766  1.0
  Y  Y1  1  0.500  0.398  0.000  1.0
  Y  Y2  1  0.500  0.602  0.602  1.0
  Y  Y3  1  0.000  0.234  0.234  1.0
  Y  Y4  1  0.000  0.766  0.000  1.0
  Y  Y5  1  0.500  0.000  0.398  1.0
  Fe  Fe6  1  0.500  0.000  0.000  1.0
  Sb  Sb7  1  0.000  0.333  0.667  1.0
  Sb  Sb8  1  0.000  0.667  0.333  1.0
[/CIF]
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The material described by Y6FeSb2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 4-coordinate geometry to two equivalent Fe(1) and two equivalent Sb(1) atoms. In the second Y site, Y(2) is bonded in a 5-coordinate geometry to one Fe(1) and four equivalent Sb(1) atoms. Fe(1) is bonded in a 9-coordinate geometry to three equivalent Y(2) and six equivalent Y(1) atoms. Sb(1) is bonded in a 9-coordinate geometry to three equivalent Y(1) and six equivalent Y(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y6FeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.151
_cell_length_b   8.234
_cell_length_c   8.234
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   243.709
_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
  Y  Y0  1  0.000  0.000  0.766  1.0
  Y  Y1  1  0.500  0.398  0.000  1.0
  Y  Y2  1  0.500  0.602  0.602  1.0
  Y  Y3  1  0.000  0.234  0.234  1.0
  Y  Y4  1  0.000  0.766  0.000  1.0
  Y  Y5  1  0.500  0.000  0.398  1.0
  Fe  Fe6  1  0.500  0.000  0.000  1.0
  Sb  Sb7  1  0.000  0.333  0.667  1.0
  Sb  Sb8  1  0.000  0.667  0.333  1.0
[/CIF]
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