The structure described by LiFe6Ge5 crystallizes in the trigonal R-3m space group. Li(1) is bonded in a 8-coordinate geometry to six equivalent Fe(1), one Ge(3), one Ge(4), three equivalent Ge(1), and three equivalent Ge(5) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Li(1), four equivalent Fe(1), one Ge(1), one Ge(5), two equivalent Ge(2), and two equivalent Ge(3) atoms to form a mixture of distorted edge, face, and corner-sharing FeLi2Fe4Ge6 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one Ge(1), one Ge(5), and three equivalent Ge(4) atoms. There are five inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to three equivalent Li(1), three equivalent Fe(1), and three equivalent Fe(2) atoms. In the second Ge site, Ge(2) is bonded in a 6-coordinate geometry to six equivalent Fe(1) atoms. In the third Ge site, Ge(3) is bonded in a 8-coordinate geometry to one Li(1), six equivalent Fe(1), and one Ge(3) atom. In the fourth Ge site, Ge(4) is bonded in a 10-coordinate geometry to one Li(1) and nine equivalent Fe(2) atoms. In the fifth Ge site, Ge(5) is bonded in a 9-coordinate geometry to three equivalent Li(1), three equivalent Fe(1), and three equivalent Fe(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiFe6Ge5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.746
_cell_length_b   14.746
_cell_length_c   14.746
_cell_angle_alpha   19.641
_cell_angle_beta   19.641
_cell_angle_gamma   19.641
_symmetry_Int_Tables_number   1
_cell_volume   316.757
_cell_formula_units_Z   2
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  0.912  0.912  0.912  1.0
  Li  Li1  1  0.088  0.088  0.088  1.0
  Fe  Fe2  1  0.046  0.546  0.546  1.0
  Fe  Fe3  1  0.636  0.146  0.636  1.0
  Fe  Fe4  1  0.146  0.636  0.636  1.0
  Fe  Fe5  1  0.636  0.636  0.146  1.0
  Fe  Fe6  1  0.546  0.046  0.546  1.0
  Fe  Fe7  1  0.364  0.854  0.364  1.0
  Fe  Fe8  1  0.454  0.954  0.454  1.0
  Fe  Fe9  1  0.954  0.454  0.454  1.0
  Fe  Fe10  1  0.854  0.364  0.364  1.0
  Fe  Fe11  1  0.454  0.454  0.954  1.0
  Fe  Fe12  1  0.364  0.364  0.854  1.0
  Fe  Fe13  1  0.546  0.546  0.046  1.0
  Ge  Ge14  1  0.425  0.425  0.425  1.0
  Ge  Ge15  1  0.333  0.333  0.333  1.0
  Ge  Ge16  1  0.667  0.667  0.667  1.0
  Ge  Ge17  1  0.971  0.971  0.971  1.0
  Ge  Ge18  1  0.029  0.029  0.029  1.0
  Ge  Ge19  1  0.147  0.147  0.147  1.0
  Ge  Ge20  1  0.575  0.575  0.575  1.0
  Ge  Ge21  1  0.241  0.241  0.241  1.0
  Ge  Ge22  1  0.759  0.759  0.759  1.0
  Ge  Ge23  1  0.853  0.853  0.853  1.0
[/CIF]
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The structure described by LiFe6Ge5 crystallizes in the trigonal R-3m space group. Li(1) is bonded in a 8-coordinate geometry to six equivalent Fe(1), one Ge(3), one Ge(4), three equivalent Ge(1), and three equivalent Ge(5) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Li(1), four equivalent Fe(1), one Ge(1), one Ge(5), two equivalent Ge(2), and two equivalent Ge(3) atoms to form a mixture of distorted edge, face, and corner-sharing FeLi2Fe4Ge6 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one Ge(1), one Ge(5), and three equivalent Ge(4) atoms. There are five inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to three equivalent Li(1), three equivalent Fe(1), and three equivalent Fe(2) atoms. In the second Ge site, Ge(2) is bonded in a 6-coordinate geometry to six equivalent Fe(1) atoms. In the third Ge site, Ge(3) is bonded in a 8-coordinate geometry to one Li(1), six equivalent Fe(1), and one Ge(3) atom. In the fourth Ge site, Ge(4) is bonded in a 10-coordinate geometry to one Li(1) and nine equivalent Fe(2) atoms. In the fifth Ge site, Ge(5) is bonded in a 9-coordinate geometry to three equivalent Li(1), three equivalent Fe(1), and three equivalent Fe(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiFe6Ge5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.746
_cell_length_b   14.746
_cell_length_c   14.746
_cell_angle_alpha   19.641
_cell_angle_beta   19.641
_cell_angle_gamma   19.641
_symmetry_Int_Tables_number   1
_cell_volume   316.757
_cell_formula_units_Z   2
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  0.912  0.912  0.912  1.0
  Li  Li1  1  0.088  0.088  0.088  1.0
  Fe  Fe2  1  0.046  0.546  0.546  1.0
  Fe  Fe3  1  0.636  0.146  0.636  1.0
  Fe  Fe4  1  0.146  0.636  0.636  1.0
  Fe  Fe5  1  0.636  0.636  0.146  1.0
  Fe  Fe6  1  0.546  0.046  0.546  1.0
  Fe  Fe7  1  0.364  0.854  0.364  1.0
  Fe  Fe8  1  0.454  0.954  0.454  1.0
  Fe  Fe9  1  0.954  0.454  0.454  1.0
  Fe  Fe10  1  0.854  0.364  0.364  1.0
  Fe  Fe11  1  0.454  0.454  0.954  1.0
  Fe  Fe12  1  0.364  0.364  0.854  1.0
  Fe  Fe13  1  0.546  0.546  0.046  1.0
  Ge  Ge14  1  0.425  0.425  0.425  1.0
  Ge  Ge15  1  0.333  0.333  0.333  1.0
  Ge  Ge16  1  0.667  0.667  0.667  1.0
  Ge  Ge17  1  0.971  0.971  0.971  1.0
  Ge  Ge18  1  0.029  0.029  0.029  1.0
  Ge  Ge19  1  0.147  0.147  0.147  1.0
  Ge  Ge20  1  0.575  0.575  0.575  1.0
  Ge  Ge21  1  0.241  0.241  0.241  1.0
  Ge  Ge22  1  0.759  0.759  0.759  1.0
  Ge  Ge23  1  0.853  0.853  0.853  1.0
[/CIF]
.