The material described by LiYb2Cl5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent Cl(1) and four equivalent Cl(3) atoms to form corner-sharing LiCl6 octahedra. The corner-sharing octahedral tilt angles are 39°. Yb(1) is bonded in a 8-coordinate geometry to two equivalent Cl(2), three equivalent Cl(1), and three equivalent Cl(3) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to one Li(1) and three equivalent Yb(1) atoms. In the second Cl site, Cl(2) is bonded to four equivalent Yb(1) atoms to form distorted edge-sharing ClYb4 tetrahedra. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to two equivalent Li(1) and three equivalent Yb(1) atoms. is represented by the CIF card [CIF]
data_LiYb2Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.246
_cell_length_b   8.246
_cell_length_c   7.074
_cell_angle_alpha   84.995
_cell_angle_beta   84.995
_cell_angle_gamma   46.322
_symmetry_Int_Tables_number   1
_cell_volume   346.307
_cell_formula_units_Z   2
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  0.000  0.500  0.000  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Yb  Yb2  1  0.125  0.669  0.569  1.0
  Yb  Yb3  1  0.669  0.125  0.069  1.0
  Yb  Yb4  1  0.875  0.331  0.431  1.0
  Yb  Yb5  1  0.331  0.875  0.931  1.0
  Cl  Cl6  1  0.527  0.292  0.423  1.0
  Cl  Cl7  1  0.064  0.936  0.250  1.0
  Cl  Cl8  1  0.936  0.064  0.750  1.0
  Cl  Cl9  1  0.854  0.708  0.318  1.0
  Cl  Cl10  1  0.146  0.292  0.682  1.0
  Cl  Cl11  1  0.708  0.854  0.818  1.0
  Cl  Cl12  1  0.292  0.146  0.182  1.0
  Cl  Cl13  1  0.473  0.708  0.577  1.0
  Cl  Cl14  1  0.292  0.527  0.923  1.0
  Cl  Cl15  1  0.708  0.473  0.077  1.0
[/CIF]
.
The material described by LiYb2Cl5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent Cl(1) and four equivalent Cl(3) atoms to form corner-sharing LiCl6 octahedra. The corner-sharing octahedral tilt angles are 39°. Yb(1) is bonded in a 8-coordinate geometry to two equivalent Cl(2), three equivalent Cl(1), and three equivalent Cl(3) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to one Li(1) and three equivalent Yb(1) atoms. In the second Cl site, Cl(2) is bonded to four equivalent Yb(1) atoms to form distorted edge-sharing ClYb4 tetrahedra. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to two equivalent Li(1) and three equivalent Yb(1) atoms. is represented by the CIF card [CIF]
data_LiYb2Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.246
_cell_length_b   8.246
_cell_length_c   7.074
_cell_angle_alpha   84.995
_cell_angle_beta   84.995
_cell_angle_gamma   46.322
_symmetry_Int_Tables_number   1
_cell_volume   346.307
_cell_formula_units_Z   2
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  0.000  0.500  0.000  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Yb  Yb2  1  0.125  0.669  0.569  1.0
  Yb  Yb3  1  0.669  0.125  0.069  1.0
  Yb  Yb4  1  0.875  0.331  0.431  1.0
  Yb  Yb5  1  0.331  0.875  0.931  1.0
  Cl  Cl6  1  0.527  0.292  0.423  1.0
  Cl  Cl7  1  0.064  0.936  0.250  1.0
  Cl  Cl8  1  0.936  0.064  0.750  1.0
  Cl  Cl9  1  0.854  0.708  0.318  1.0
  Cl  Cl10  1  0.146  0.292  0.682  1.0
  Cl  Cl11  1  0.708  0.854  0.818  1.0
  Cl  Cl12  1  0.292  0.146  0.182  1.0
  Cl  Cl13  1  0.473  0.708  0.577  1.0
  Cl  Cl14  1  0.292  0.527  0.923  1.0
  Cl  Cl15  1  0.708  0.473  0.077  1.0
[/CIF]
.