The material structure described by LiFe6Ge4 crystallizes in the trigonal R-3m space group. Li(1) is bonded to twelve Fe(1,1); two equivalent Ge(1); and six equivalent Ge(2) atoms to form distorted face-sharing LiFe12Ge8 hexagonal bipyramids. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 13-coordinate geometry to two equivalent Li(1); six Fe(1,1); two equivalent Ge(2); and three equivalent Ge(1) atoms. In the second Fe site, Fe(1) is bonded in a 13-coordinate geometry to two equivalent Li(1); six Fe(1,1); two equivalent Ge(2); and three equivalent Ge(1) atoms. In the third Fe site, Fe(1) is bonded in a 13-coordinate geometry to two equivalent Li(1); six Fe(1,1); two equivalent Ge(2); and three equivalent Ge(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 10-coordinate geometry to one Li(1) and nine Fe(1,1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to three equivalent Li(1) and six Fe(1,1) atoms. is represented by the CIF card [CIF]
data_Li(Fe3Ge2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.169
_cell_length_b   7.169
_cell_length_c   7.169
_cell_angle_alpha   41.227
_cell_angle_beta   41.227
_cell_angle_gamma   41.227
_symmetry_Int_Tables_number   1
_cell_volume   144.562
_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
  Fe  Fe1  1  0.398  0.888  0.398  1.0
  Fe  Fe2  1  0.112  0.602  0.602  1.0
  Fe  Fe3  1  0.602  0.602  0.112  1.0
  Fe  Fe4  1  0.602  0.112  0.602  1.0
  Fe  Fe5  1  0.398  0.398  0.888  1.0
  Fe  Fe6  1  0.888  0.398  0.398  1.0
  Ge  Ge7  1  0.125  0.125  0.125  1.0
  Ge  Ge8  1  0.333  0.333  0.333  1.0
  Ge  Ge9  1  0.667  0.667  0.667  1.0
  Ge  Ge10  1  0.875  0.875  0.875  1.0
[/CIF]
.
The material structure described by LiFe6Ge4 crystallizes in the trigonal R-3m space group. Li(1) is bonded to twelve Fe(1,1); two equivalent Ge(1); and six equivalent Ge(2) atoms to form distorted face-sharing LiFe12Ge8 hexagonal bipyramids. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 13-coordinate geometry to two equivalent Li(1); six Fe(1,1); two equivalent Ge(2); and three equivalent Ge(1) atoms. In the second Fe site, Fe(1) is bonded in a 13-coordinate geometry to two equivalent Li(1); six Fe(1,1); two equivalent Ge(2); and three equivalent Ge(1) atoms. In the third Fe site, Fe(1) is bonded in a 13-coordinate geometry to two equivalent Li(1); six Fe(1,1); two equivalent Ge(2); and three equivalent Ge(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 10-coordinate geometry to one Li(1) and nine Fe(1,1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to three equivalent Li(1) and six Fe(1,1) atoms. is represented by the CIF card [CIF]
data_Li(Fe3Ge2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.169
_cell_length_b   7.169
_cell_length_c   7.169
_cell_angle_alpha   41.227
_cell_angle_beta   41.227
_cell_angle_gamma   41.227
_symmetry_Int_Tables_number   1
_cell_volume   144.562
_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
  Fe  Fe1  1  0.398  0.888  0.398  1.0
  Fe  Fe2  1  0.112  0.602  0.602  1.0
  Fe  Fe3  1  0.602  0.602  0.112  1.0
  Fe  Fe4  1  0.602  0.112  0.602  1.0
  Fe  Fe5  1  0.398  0.398  0.888  1.0
  Fe  Fe6  1  0.888  0.398  0.398  1.0
  Ge  Ge7  1  0.125  0.125  0.125  1.0
  Ge  Ge8  1  0.333  0.333  0.333  1.0
  Ge  Ge9  1  0.667  0.667  0.667  1.0
  Ge  Ge10  1  0.875  0.875  0.875  1.0
[/CIF]
.