The crystal structure described by Li(NiGe)6 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to six equivalent Ni(1), two equivalent Ge(3), and six equivalent Ge(1) atoms to form distorted LiNi6Ge8 hexagonal bipyramids that share corners with six equivalent Li(2)Ni12Ge8 hexagonal bipyramids and edges with three equivalent Li(1)Ni6Ge8 hexagonal bipyramids. In the second Li site, Li(2) is bonded to twelve equivalent Ni(1), two equivalent Ge(4), and six equivalent Ge(2) atoms to form corner-sharing LiNi12Ge8 hexagonal bipyramids. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 12-coordinate geometry to one Li(1), one Li(2), two equivalent Ni(1), two equivalent Ni(2), one Ge(3), one Ge(4), two equivalent Ge(1), and two equivalent Ge(2) atoms. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to four equivalent Ni(1), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. There are four inequivalent Ge sites. In the first Ge site, Ge(3) is bonded in a 8-coordinate geometry to one Li(1), three equivalent Ni(1), three equivalent Ni(2), and one Ge(3) atom. In the second Ge site, Ge(4) is bonded in a 8-coordinate geometry to one Li(2), six equivalent Ni(1), and one Ge(4) atom. In the third Ge site, Ge(1) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Ni(2), and four equivalent Ni(1) atoms. In the fourth Ge site, Ge(2) is bonded in a 7-coordinate geometry to one Li(2), two equivalent Ni(2), and four equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(NiGe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.672
_cell_length_b   8.672
_cell_length_c   7.744
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   504.390
_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  0.333  0.667  0.000  1.0
  Li  Li1  1  0.667  0.333  0.000  1.0
  Li  Li2  1  1.000  1.000  0.500  1.0
  Ni  Ni3  1  0.167  0.334  0.245  1.0
  Ni  Ni4  1  0.833  0.167  0.245  1.0
  Ni  Ni5  1  0.334  0.167  0.245  1.0
  Ni  Ni6  1  0.666  0.833  0.245  1.0
  Ni  Ni7  1  0.167  0.833  0.245  1.0
  Ni  Ni8  1  0.833  0.666  0.755  1.0
  Ni  Ni9  1  0.833  0.167  0.755  1.0
  Ni  Ni10  1  0.833  0.666  0.245  1.0
  Ni  Ni11  1  0.334  0.167  0.755  1.0
  Ni  Ni12  1  0.666  0.833  0.755  1.0
  Ni  Ni13  1  0.167  0.334  0.755  1.0
  Ni  Ni14  1  0.167  0.833  0.755  1.0
  Ni  Ni15  1  0.500  0.000  0.261  1.0
  Ni  Ni16  1  0.500  0.500  0.261  1.0
  Ni  Ni17  1  0.000  0.500  0.261  1.0
  Ni  Ni18  1  0.500  0.000  0.739  1.0
  Ni  Ni19  1  0.500  0.500  0.739  1.0
  Ni  Ni20  1  0.000  0.500  0.739  1.0
  Ge  Ge21  1  0.342  0.000  0.000  1.0
  Ge  Ge22  1  0.342  0.342  0.000  1.0
  Ge  Ge23  1  0.000  0.658  0.000  1.0
  Ge  Ge24  1  0.000  0.342  0.000  1.0
  Ge  Ge25  1  0.658  0.658  0.000  1.0
  Ge  Ge26  1  0.658  1.000  0.000  1.0
  Ge  Ge27  1  0.324  1.000  0.500  1.0
  Ge  Ge28  1  0.324  0.324  0.500  1.0
  Ge  Ge29  1  1.000  0.676  0.500  1.0
  Ge  Ge30  1  1.000  0.324  0.500  1.0
  Ge  Ge31  1  0.676  0.676  0.500  1.0
  Ge  Ge32  1  0.676  0.000  0.500  1.0
  Ge  Ge33  1  0.333  0.667  0.338  1.0
  Ge  Ge34  1  0.667  0.333  0.338  1.0
  Ge  Ge35  1  0.667  0.333  0.662  1.0
  Ge  Ge36  1  0.333  0.667  0.662  1.0
  Ge  Ge37  1  1.000  1.000  0.161  1.0
  Ge  Ge38  1  1.000  1.000  0.839  1.0
[/CIF]
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The crystal structure described by Li(NiGe)6 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to six equivalent Ni(1), two equivalent Ge(3), and six equivalent Ge(1) atoms to form distorted LiNi6Ge8 hexagonal bipyramids that share corners with six equivalent Li(2)Ni12Ge8 hexagonal bipyramids and edges with three equivalent Li(1)Ni6Ge8 hexagonal bipyramids. In the second Li site, Li(2) is bonded to twelve equivalent Ni(1), two equivalent Ge(4), and six equivalent Ge(2) atoms to form corner-sharing LiNi12Ge8 hexagonal bipyramids. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 12-coordinate geometry to one Li(1), one Li(2), two equivalent Ni(1), two equivalent Ni(2), one Ge(3), one Ge(4), two equivalent Ge(1), and two equivalent Ge(2) atoms. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to four equivalent Ni(1), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. There are four inequivalent Ge sites. In the first Ge site, Ge(3) is bonded in a 8-coordinate geometry to one Li(1), three equivalent Ni(1), three equivalent Ni(2), and one Ge(3) atom. In the second Ge site, Ge(4) is bonded in a 8-coordinate geometry to one Li(2), six equivalent Ni(1), and one Ge(4) atom. In the third Ge site, Ge(1) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Ni(2), and four equivalent Ni(1) atoms. In the fourth Ge site, Ge(2) is bonded in a 7-coordinate geometry to one Li(2), two equivalent Ni(2), and four equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(NiGe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.672
_cell_length_b   8.672
_cell_length_c   7.744
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   504.390
_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  0.333  0.667  0.000  1.0
  Li  Li1  1  0.667  0.333  0.000  1.0
  Li  Li2  1  1.000  1.000  0.500  1.0
  Ni  Ni3  1  0.167  0.334  0.245  1.0
  Ni  Ni4  1  0.833  0.167  0.245  1.0
  Ni  Ni5  1  0.334  0.167  0.245  1.0
  Ni  Ni6  1  0.666  0.833  0.245  1.0
  Ni  Ni7  1  0.167  0.833  0.245  1.0
  Ni  Ni8  1  0.833  0.666  0.755  1.0
  Ni  Ni9  1  0.833  0.167  0.755  1.0
  Ni  Ni10  1  0.833  0.666  0.245  1.0
  Ni  Ni11  1  0.334  0.167  0.755  1.0
  Ni  Ni12  1  0.666  0.833  0.755  1.0
  Ni  Ni13  1  0.167  0.334  0.755  1.0
  Ni  Ni14  1  0.167  0.833  0.755  1.0
  Ni  Ni15  1  0.500  0.000  0.261  1.0
  Ni  Ni16  1  0.500  0.500  0.261  1.0
  Ni  Ni17  1  0.000  0.500  0.261  1.0
  Ni  Ni18  1  0.500  0.000  0.739  1.0
  Ni  Ni19  1  0.500  0.500  0.739  1.0
  Ni  Ni20  1  0.000  0.500  0.739  1.0
  Ge  Ge21  1  0.342  0.000  0.000  1.0
  Ge  Ge22  1  0.342  0.342  0.000  1.0
  Ge  Ge23  1  0.000  0.658  0.000  1.0
  Ge  Ge24  1  0.000  0.342  0.000  1.0
  Ge  Ge25  1  0.658  0.658  0.000  1.0
  Ge  Ge26  1  0.658  1.000  0.000  1.0
  Ge  Ge27  1  0.324  1.000  0.500  1.0
  Ge  Ge28  1  0.324  0.324  0.500  1.0
  Ge  Ge29  1  1.000  0.676  0.500  1.0
  Ge  Ge30  1  1.000  0.324  0.500  1.0
  Ge  Ge31  1  0.676  0.676  0.500  1.0
  Ge  Ge32  1  0.676  0.000  0.500  1.0
  Ge  Ge33  1  0.333  0.667  0.338  1.0
  Ge  Ge34  1  0.667  0.333  0.338  1.0
  Ge  Ge35  1  0.667  0.333  0.662  1.0
  Ge  Ge36  1  0.333  0.667  0.662  1.0
  Ge  Ge37  1  1.000  1.000  0.161  1.0
  Ge  Ge38  1  1.000  1.000  0.839  1.0
[/CIF]
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