The material structure described by LiYbGe crystallizes in the hexagonal P-62m space group. Li(1) is bonded to two equivalent Ge(1) and two equivalent Ge(2) atoms to form a mixture of distorted edge and corner-sharing LiGe4 tetrahedra. Yb(1) is bonded in a 5-coordinate geometry to one Ge(2) and four equivalent Ge(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(2) is bonded in a 9-coordinate geometry to six equivalent Li(1) and three equivalent Yb(1) atoms. In the second Ge site, Ge(1) is bonded in a 9-coordinate geometry to three equivalent Li(1) and six equivalent Yb(1) atoms. is represented by the CIF file [CIF]
data_LiYbGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.039
_cell_length_b   7.039
_cell_length_c   4.536
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   194.608
_cell_formula_units_Z   3
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  0.774  0.774  0.500  1.0
  Li  Li1  1  0.226  0.000  0.500  1.0
  Li  Li2  1  0.000  0.226  0.500  1.0
  Yb  Yb3  1  0.000  0.568  0.000  1.0
  Yb  Yb4  1  0.432  0.432  0.000  1.0
  Yb  Yb5  1  0.568  0.000  0.000  1.0
  Ge  Ge6  1  0.333  0.667  0.500  1.0
  Ge  Ge7  1  0.667  0.333  0.500  1.0
  Ge  Ge8  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by LiYbGe crystallizes in the hexagonal P-62m space group. Li(1) is bonded to two equivalent Ge(1) and two equivalent Ge(2) atoms to form a mixture of distorted edge and corner-sharing LiGe4 tetrahedra. Yb(1) is bonded in a 5-coordinate geometry to one Ge(2) and four equivalent Ge(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(2) is bonded in a 9-coordinate geometry to six equivalent Li(1) and three equivalent Yb(1) atoms. In the second Ge site, Ge(1) is bonded in a 9-coordinate geometry to three equivalent Li(1) and six equivalent Yb(1) atoms. is represented by the CIF file [CIF]
data_LiYbGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.039
_cell_length_b   7.039
_cell_length_c   4.536
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   194.608
_cell_formula_units_Z   3
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  0.774  0.774  0.500  1.0
  Li  Li1  1  0.226  0.000  0.500  1.0
  Li  Li2  1  0.000  0.226  0.500  1.0
  Yb  Yb3  1  0.000  0.568  0.000  1.0
  Yb  Yb4  1  0.432  0.432  0.000  1.0
  Yb  Yb5  1  0.568  0.000  0.000  1.0
  Ge  Ge6  1  0.333  0.667  0.500  1.0
  Ge  Ge7  1  0.667  0.333  0.500  1.0
  Ge  Ge8  1  0.000  0.000  0.000  1.0
[/CIF]
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