The material structure described by LiYbBi crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one Yb(2), four equivalent Yb(1), one Bi(2), and three equivalent Bi(1) atoms. In the second Li site, Li(2) is bonded to six equivalent Yb(1), one Bi(2), and three equivalent Bi(1) atoms to form distorted corner-sharing LiYb6Bi4 tetrahedra. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 12-coordinate geometry to two equivalent Li(2), four equivalent Li(1), two equivalent Bi(2), and four equivalent Bi(1) atoms. In the second Yb site, Yb(2) is bonded in a 9-coordinate geometry to three equivalent Li(1) and six equivalent Bi(1) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 10-coordinate geometry to one Li(2), three equivalent Li(1), two equivalent Yb(2), and four equivalent Yb(1) atoms. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one Li(2), three equivalent Li(1), and six equivalent Yb(1) atoms. is represented by the CIF file [CIF]
data_LiYbBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.586
_cell_length_b   9.477
_cell_length_c   9.477
_cell_angle_alpha   119.997
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   590.095
_cell_formula_units_Z   8
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
  Li  Li0  1  0.325  0.167  0.833  1.0
  Li  Li1  1  0.325  0.667  0.833  1.0
  Li  Li2  1  0.325  0.167  0.333  1.0
  Li  Li3  1  0.825  0.833  0.167  1.0
  Li  Li4  1  0.825  0.333  0.167  1.0
  Li  Li5  1  0.825  0.833  0.667  1.0
  Li  Li6  1  0.661  0.333  0.667  1.0
  Li  Li7  1  0.161  0.667  0.333  1.0
  Yb  Yb8  1  0.505  0.517  0.483  1.0
  Yb  Yb9  1  0.505  0.966  0.483  1.0
  Yb  Yb10  1  0.505  0.517  0.034  1.0
  Yb  Yb11  1  0.005  0.483  0.517  1.0
  Yb  Yb12  1  0.005  0.034  0.517  1.0
  Yb  Yb13  1  0.005  0.483  0.966  1.0
  Yb  Yb14  1  0.518  1.000  0.000  1.0
  Yb  Yb15  1  0.018  0.000  1.000  1.0
  Bi  Bi16  1  0.737  0.167  0.833  1.0
  Bi  Bi17  1  0.737  0.667  0.833  1.0
  Bi  Bi18  1  0.737  0.167  0.333  1.0
  Bi  Bi19  1  0.237  0.833  0.167  1.0
  Bi  Bi20  1  0.237  0.333  0.167  1.0
  Bi  Bi21  1  0.237  0.833  0.667  1.0
  Bi  Bi22  1  0.274  0.333  0.667  1.0
  Bi  Bi23  1  0.774  0.667  0.333  1.0
[/CIF]
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The material structure described by LiYbBi crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one Yb(2), four equivalent Yb(1), one Bi(2), and three equivalent Bi(1) atoms. In the second Li site, Li(2) is bonded to six equivalent Yb(1), one Bi(2), and three equivalent Bi(1) atoms to form distorted corner-sharing LiYb6Bi4 tetrahedra. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 12-coordinate geometry to two equivalent Li(2), four equivalent Li(1), two equivalent Bi(2), and four equivalent Bi(1) atoms. In the second Yb site, Yb(2) is bonded in a 9-coordinate geometry to three equivalent Li(1) and six equivalent Bi(1) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 10-coordinate geometry to one Li(2), three equivalent Li(1), two equivalent Yb(2), and four equivalent Yb(1) atoms. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one Li(2), three equivalent Li(1), and six equivalent Yb(1) atoms. is represented by the CIF file [CIF]
data_LiYbBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.586
_cell_length_b   9.477
_cell_length_c   9.477
_cell_angle_alpha   119.997
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   590.095
_cell_formula_units_Z   8
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
  Li  Li0  1  0.325  0.167  0.833  1.0
  Li  Li1  1  0.325  0.667  0.833  1.0
  Li  Li2  1  0.325  0.167  0.333  1.0
  Li  Li3  1  0.825  0.833  0.167  1.0
  Li  Li4  1  0.825  0.333  0.167  1.0
  Li  Li5  1  0.825  0.833  0.667  1.0
  Li  Li6  1  0.661  0.333  0.667  1.0
  Li  Li7  1  0.161  0.667  0.333  1.0
  Yb  Yb8  1  0.505  0.517  0.483  1.0
  Yb  Yb9  1  0.505  0.966  0.483  1.0
  Yb  Yb10  1  0.505  0.517  0.034  1.0
  Yb  Yb11  1  0.005  0.483  0.517  1.0
  Yb  Yb12  1  0.005  0.034  0.517  1.0
  Yb  Yb13  1  0.005  0.483  0.966  1.0
  Yb  Yb14  1  0.518  1.000  0.000  1.0
  Yb  Yb15  1  0.018  0.000  1.000  1.0
  Bi  Bi16  1  0.737  0.167  0.833  1.0
  Bi  Bi17  1  0.737  0.667  0.833  1.0
  Bi  Bi18  1  0.737  0.167  0.333  1.0
  Bi  Bi19  1  0.237  0.833  0.167  1.0
  Bi  Bi20  1  0.237  0.333  0.167  1.0
  Bi  Bi21  1  0.237  0.833  0.667  1.0
  Bi  Bi22  1  0.274  0.333  0.667  1.0
  Bi  Bi23  1  0.774  0.667  0.333  1.0
[/CIF]
.