The material described by Li5(CuGe)2 crystallizes in the trigonal P-3m1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 11-coordinate geometry to one Li(2), three equivalent Li(3), three equivalent Cu(1), and four equivalent Ge(1) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one Li(1), three equivalent Cu(1), and four equivalent Ge(1) atoms. In the third Li site, Li(3) is bonded in a distorted linear geometry to six equivalent Li(1) and two equivalent Cu(1) atoms. Cu(1) is bonded in a 7-coordinate geometry to one Li(3), three equivalent Li(1), three equivalent Li(2), and three equivalent Ge(1) atoms. Ge(1) is bonded in a 11-coordinate geometry to four equivalent Li(1), four equivalent Li(2), and three equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Li5(CuGe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.178
_cell_length_b   4.178
_cell_length_c   7.988
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   120.756
_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
  Li  Li0  1  0.333  0.667  0.114  1.0
  Li  Li1  1  0.667  0.333  0.886  1.0
  Li  Li2  1  0.333  0.667  0.431  1.0
  Li  Li3  1  0.667  0.333  0.569  1.0
  Li  Li4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.000  0.000  0.307  1.0
  Cu  Cu6  1  0.000  0.000  0.693  1.0
  Ge  Ge7  1  0.333  0.667  0.758  1.0
  Ge  Ge8  1  0.667  0.333  0.242  1.0
[/CIF]
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The material described by Li5(CuGe)2 crystallizes in the trigonal P-3m1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 11-coordinate geometry to one Li(2), three equivalent Li(3), three equivalent Cu(1), and four equivalent Ge(1) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one Li(1), three equivalent Cu(1), and four equivalent Ge(1) atoms. In the third Li site, Li(3) is bonded in a distorted linear geometry to six equivalent Li(1) and two equivalent Cu(1) atoms. Cu(1) is bonded in a 7-coordinate geometry to one Li(3), three equivalent Li(1), three equivalent Li(2), and three equivalent Ge(1) atoms. Ge(1) is bonded in a 11-coordinate geometry to four equivalent Li(1), four equivalent Li(2), and three equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Li5(CuGe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.178
_cell_length_b   4.178
_cell_length_c   7.988
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   120.756
_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
  Li  Li0  1  0.333  0.667  0.114  1.0
  Li  Li1  1  0.667  0.333  0.886  1.0
  Li  Li2  1  0.333  0.667  0.431  1.0
  Li  Li3  1  0.667  0.333  0.569  1.0
  Li  Li4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.000  0.000  0.307  1.0
  Cu  Cu6  1  0.000  0.000  0.693  1.0
  Ge  Ge7  1  0.333  0.667  0.758  1.0
  Ge  Ge8  1  0.667  0.333  0.242  1.0
[/CIF]
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