The material described by Li(CoGe)6 crystallizes in the hexagonal P6/mmm space group. Li(1) is bonded in a 2-coordinate geometry to twelve equivalent Co(1), two equivalent Ge(3), and six equivalent Ge(1) atoms. Co(1) is bonded to two equivalent Li(1), four equivalent Co(1), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms to form a mixture of distorted face, corner, and edge-sharing CoLi2Co4Ge6 cuboctahedra. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to three equivalent Li(1) and six equivalent Co(1) atoms. In the second Ge site, Ge(2) is bonded in a 6-coordinate geometry to six equivalent Co(1) atoms. In the third Ge site, Ge(3) is bonded in a distorted single-bond geometry to one Li(1) and six equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Li(CoGe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.005
_cell_length_b   5.005
_cell_length_c   7.549
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   163.746
_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  0.000  0.000  0.000  1.0
  Co  Co1  1  0.500  0.500  0.250  1.0
  Co  Co2  1  0.000  0.500  0.250  1.0
  Co  Co3  1  0.500  0.000  0.750  1.0
  Co  Co4  1  0.500  0.500  0.750  1.0
  Co  Co5  1  0.000  0.500  0.750  1.0
  Co  Co6  1  0.500  0.000  0.250  1.0
  Ge  Ge7  1  0.667  0.333  0.000  1.0
  Ge  Ge8  1  0.333  0.667  0.500  1.0
  Ge  Ge9  1  0.667  0.333  0.500  1.0
  Ge  Ge10  1  0.000  0.000  0.331  1.0
  Ge  Ge11  1  0.000  0.000  0.669  1.0
  Ge  Ge12  1  0.333  0.667  0.000  1.0
[/CIF]
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The material described by Li(CoGe)6 crystallizes in the hexagonal P6/mmm space group. Li(1) is bonded in a 2-coordinate geometry to twelve equivalent Co(1), two equivalent Ge(3), and six equivalent Ge(1) atoms. Co(1) is bonded to two equivalent Li(1), four equivalent Co(1), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms to form a mixture of distorted face, corner, and edge-sharing CoLi2Co4Ge6 cuboctahedra. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to three equivalent Li(1) and six equivalent Co(1) atoms. In the second Ge site, Ge(2) is bonded in a 6-coordinate geometry to six equivalent Co(1) atoms. In the third Ge site, Ge(3) is bonded in a distorted single-bond geometry to one Li(1) and six equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Li(CoGe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.005
_cell_length_b   5.005
_cell_length_c   7.549
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   163.746
_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  0.000  0.000  0.000  1.0
  Co  Co1  1  0.500  0.500  0.250  1.0
  Co  Co2  1  0.000  0.500  0.250  1.0
  Co  Co3  1  0.500  0.000  0.750  1.0
  Co  Co4  1  0.500  0.500  0.750  1.0
  Co  Co5  1  0.000  0.500  0.750  1.0
  Co  Co6  1  0.500  0.000  0.250  1.0
  Ge  Ge7  1  0.667  0.333  0.000  1.0
  Ge  Ge8  1  0.333  0.667  0.500  1.0
  Ge  Ge9  1  0.667  0.333  0.500  1.0
  Ge  Ge10  1  0.000  0.000  0.331  1.0
  Ge  Ge11  1  0.000  0.000  0.669  1.0
  Ge  Ge12  1  0.333  0.667  0.000  1.0
[/CIF]
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