The crystal structure described by Ge(Li) crystallizes in the tetragonal I4_1/amd space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 8-coordinate geometry to four Li(2,2); four equivalent Ge(1); and four equivalent Ge(2) atoms. In the second Li site, Li(2) is bonded to two equivalent Li(1), two equivalent Li(2), two equivalent Ge(1), and six equivalent Ge(2) atoms to form distorted LiLi4Ge8 cuboctahedra that share corners with four equivalent Li(2)Li4Ge8 cuboctahedra; edges with eight Li(2,2)Li4Ge8 cuboctahedra; edges with eight equivalent Ge(1)Li8Ge4 cuboctahedra; faces with two equivalent Ge(1)Li8Ge4 cuboctahedra; and faces with six equivalent Li(2)Li4Ge8 cuboctahedra. In the third Li site, Li(2) is bonded to two equivalent Li(1), two equivalent Li(2), two equivalent Ge(1), and six equivalent Ge(2) atoms to form distorted LiLi4Ge8 cuboctahedra that share corners with four equivalent Li(2)Li4Ge8 cuboctahedra; edges with eight Li(2,2)Li4Ge8 cuboctahedra; edges with eight equivalent Ge(1)Li8Ge4 cuboctahedra; faces with two equivalent Ge(1)Li8Ge4 cuboctahedra; and faces with six equivalent Li(2)Li4Ge8 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to four equivalent Li(1); four Li(2,2); and four equivalent Ge(2) atoms to form GeLi8Ge4 cuboctahedra that share corners with four equivalent Ge(1)Li8Ge4 cuboctahedra; edges with sixteen Li(2,2)Li4Ge8 cuboctahedra; faces with four Li(2,2)Li4Ge8 cuboctahedra; and faces with four equivalent Ge(1)Li8Ge4 cuboctahedra. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to two equivalent Li(1), six equivalent Li(2), and two equivalent Ge(1) atoms. is represented by the CIF file [CIF]
data_LiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.031
_cell_length_b   4.031
_cell_length_c   11.855
_cell_angle_alpha   99.790
_cell_angle_beta   99.790
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.011
_cell_formula_units_Z   6
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  0.375  0.125  0.250  1.0
  Li  Li1  1  0.625  0.875  0.750  1.0
  Li  Li2  1  0.462  0.712  0.425  1.0
  Li  Li3  1  0.212  0.962  0.925  1.0
  Li  Li4  1  0.538  0.288  0.575  1.0
  Li  Li5  1  0.788  0.038  0.075  1.0
  Ge  Ge6  1  0.125  0.375  0.750  1.0
  Ge  Ge7  1  0.875  0.625  0.250  1.0
  Ge  Ge8  1  0.299  0.549  0.098  1.0
  Ge  Ge9  1  0.049  0.799  0.598  1.0
  Ge  Ge10  1  0.701  0.451  0.902  1.0
  Ge  Ge11  1  0.951  0.201  0.402  1.0
[/CIF]
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The crystal structure described by Ge(Li) crystallizes in the tetragonal I4_1/amd space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 8-coordinate geometry to four Li(2,2); four equivalent Ge(1); and four equivalent Ge(2) atoms. In the second Li site, Li(2) is bonded to two equivalent Li(1), two equivalent Li(2), two equivalent Ge(1), and six equivalent Ge(2) atoms to form distorted LiLi4Ge8 cuboctahedra that share corners with four equivalent Li(2)Li4Ge8 cuboctahedra; edges with eight Li(2,2)Li4Ge8 cuboctahedra; edges with eight equivalent Ge(1)Li8Ge4 cuboctahedra; faces with two equivalent Ge(1)Li8Ge4 cuboctahedra; and faces with six equivalent Li(2)Li4Ge8 cuboctahedra. In the third Li site, Li(2) is bonded to two equivalent Li(1), two equivalent Li(2), two equivalent Ge(1), and six equivalent Ge(2) atoms to form distorted LiLi4Ge8 cuboctahedra that share corners with four equivalent Li(2)Li4Ge8 cuboctahedra; edges with eight Li(2,2)Li4Ge8 cuboctahedra; edges with eight equivalent Ge(1)Li8Ge4 cuboctahedra; faces with two equivalent Ge(1)Li8Ge4 cuboctahedra; and faces with six equivalent Li(2)Li4Ge8 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to four equivalent Li(1); four Li(2,2); and four equivalent Ge(2) atoms to form GeLi8Ge4 cuboctahedra that share corners with four equivalent Ge(1)Li8Ge4 cuboctahedra; edges with sixteen Li(2,2)Li4Ge8 cuboctahedra; faces with four Li(2,2)Li4Ge8 cuboctahedra; and faces with four equivalent Ge(1)Li8Ge4 cuboctahedra. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to two equivalent Li(1), six equivalent Li(2), and two equivalent Ge(1) atoms. is represented by the CIF file [CIF]
data_LiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.031
_cell_length_b   4.031
_cell_length_c   11.855
_cell_angle_alpha   99.790
_cell_angle_beta   99.790
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.011
_cell_formula_units_Z   6
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  0.375  0.125  0.250  1.0
  Li  Li1  1  0.625  0.875  0.750  1.0
  Li  Li2  1  0.462  0.712  0.425  1.0
  Li  Li3  1  0.212  0.962  0.925  1.0
  Li  Li4  1  0.538  0.288  0.575  1.0
  Li  Li5  1  0.788  0.038  0.075  1.0
  Ge  Ge6  1  0.125  0.375  0.750  1.0
  Ge  Ge7  1  0.875  0.625  0.250  1.0
  Ge  Ge8  1  0.299  0.549  0.098  1.0
  Ge  Ge9  1  0.049  0.799  0.598  1.0
  Ge  Ge10  1  0.701  0.451  0.902  1.0
  Ge  Ge11  1  0.951  0.201  0.402  1.0
[/CIF]
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