The material structure described by YbSI crystallizes in the hexagonal P-6 space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a distorted trigonal planar geometry to one S(2), two equivalent S(1), two equivalent I(2), and four equivalent I(1) atoms. In the second Yb site, Yb(2) is bonded in a trigonal planar geometry to three equivalent S(1) and six equivalent I(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a trigonal planar geometry to one Yb(2) and two equivalent Yb(1) atoms. In the second S site, S(2) is bonded in a trigonal planar geometry to three equivalent Yb(1) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded to two equivalent Yb(2) and four equivalent Yb(1) atoms to form a mixture of distorted face, corner, and edge-sharing IYb6 pentagonal pyramids. In the second I site, I(2) is bonded to six equivalent Yb(1) atoms to form a mixture of distorted face, corner, and edge-sharing IYb6 pentagonal pyramids. is represented by the CIF card [CIF]
data_YbSI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.681
_cell_length_b   4.681
_cell_length_c   4.896
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   92.929
_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
  I  I0  1  0.333  0.667  0.500  1.0
  S  S1  1  0.000  0.000  0.000  1.0
  Yb  Yb2  1  0.667  0.333  1.000  1.0
[/CIF]
.
The material structure described by YbSI crystallizes in the hexagonal P-6 space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a distorted trigonal planar geometry to one S(2), two equivalent S(1), two equivalent I(2), and four equivalent I(1) atoms. In the second Yb site, Yb(2) is bonded in a trigonal planar geometry to three equivalent S(1) and six equivalent I(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a trigonal planar geometry to one Yb(2) and two equivalent Yb(1) atoms. In the second S site, S(2) is bonded in a trigonal planar geometry to three equivalent Yb(1) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded to two equivalent Yb(2) and four equivalent Yb(1) atoms to form a mixture of distorted face, corner, and edge-sharing IYb6 pentagonal pyramids. In the second I site, I(2) is bonded to six equivalent Yb(1) atoms to form a mixture of distorted face, corner, and edge-sharing IYb6 pentagonal pyramids. is represented by the CIF card [CIF]
data_YbSI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.681
_cell_length_b   4.681
_cell_length_c   4.896
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   92.929
_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
  I  I0  1  0.333  0.667  0.500  1.0
  S  S1  1  0.000  0.000  0.000  1.0
  Yb  Yb2  1  0.667  0.333  1.000  1.0
[/CIF]
.