The material structure described by LiFe6Ge5 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a 8-coordinate geometry to two equivalent Fe(4), four equivalent Fe(1), one Ge(2), one Ge(4), three equivalent Ge(3), and three equivalent Ge(5) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Li(1), two equivalent Fe(1), two equivalent Fe(4), one Ge(3), one Ge(5), two equivalent Ge(1), and two equivalent Ge(2) atoms to form a mixture of distorted face, corner, and edge-sharing FeLi2Fe4Ge6 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one Ge(3), one Ge(5), and three equivalent Ge(4) atoms. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one Ge(3), one Ge(5), and three equivalent Ge(4) atoms. In the fourth Fe site, Fe(4) is bonded to two equivalent Li(1), four equivalent Fe(1), one Ge(3), one Ge(5), two equivalent Ge(1), and two equivalent Ge(2) atoms to form a mixture of distorted face, corner, and edge-sharing FeLi2Fe4Ge6 cuboctahedra. There are five inequivalent Ge sites. In the first Ge site, Ge(3) is bonded in a 9-coordinate geometry to three equivalent Li(1), one Fe(3), one Fe(4), two equivalent Fe(1), and two equivalent Fe(2) atoms. In the second Ge site, Ge(4) is bonded in a 10-coordinate geometry to one Li(1), three equivalent Fe(3), and six equivalent Fe(2) atoms. In the third Ge site, Ge(5) is bonded in a 9-coordinate geometry to three equivalent Li(1), one Fe(3), one Fe(4), two equivalent Fe(1), and two equivalent Fe(2) atoms. In the fourth Ge site, Ge(1) is bonded in a 6-coordinate geometry to two equivalent Fe(4) and four equivalent Fe(1) atoms. In the fifth Ge site, Ge(2) is bonded in a 8-coordinate geometry to one Li(1), two equivalent Fe(4), four equivalent Fe(1), and one Ge(2) atom. is represented by the CIF card [CIF]
data_LiFe6Ge5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.998
_cell_length_b   4.998
_cell_length_c   14.725
_cell_angle_alpha   80.235
_cell_angle_beta   80.235
_cell_angle_gamma   60.111
_symmetry_Int_Tables_number   1
_cell_volume   312.762
_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  0.091  0.091  0.737  1.0
  Li  Li1  1  0.909  0.909  0.263  1.0
  Fe  Fe2  1  0.046  0.546  0.862  1.0
  Fe  Fe3  1  0.546  0.046  0.862  1.0
  Fe  Fe4  1  0.954  0.454  0.138  1.0
  Fe  Fe5  1  0.454  0.954  0.138  1.0
  Fe  Fe6  1  0.144  0.634  0.583  1.0
  Fe  Fe7  1  0.634  0.144  0.583  1.0
  Fe  Fe8  1  0.856  0.366  0.417  1.0
  Fe  Fe9  1  0.366  0.856  0.417  1.0
  Fe  Fe10  1  0.365  0.365  0.418  1.0
  Fe  Fe11  1  0.635  0.635  0.582  1.0
  Fe  Fe12  1  0.453  0.453  0.138  1.0
  Fe  Fe13  1  0.547  0.547  0.862  1.0
  Ge  Ge14  1  0.334  0.334  1.000  1.0
  Ge  Ge15  1  0.666  0.666  0.000  1.0
  Ge  Ge16  1  0.029  0.029  0.912  1.0
  Ge  Ge17  1  0.971  0.971  0.088  1.0
  Ge  Ge18  1  0.426  0.426  0.724  1.0
  Ge  Ge19  1  0.574  0.574  0.276  1.0
  Ge  Ge20  1  0.146  0.146  0.557  1.0
  Ge  Ge21  1  0.854  0.854  0.443  1.0
  Ge  Ge22  1  0.241  0.241  0.277  1.0
  Ge  Ge23  1  0.759  0.759  0.723  1.0
[/CIF]
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The material structure described by LiFe6Ge5 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a 8-coordinate geometry to two equivalent Fe(4), four equivalent Fe(1), one Ge(2), one Ge(4), three equivalent Ge(3), and three equivalent Ge(5) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Li(1), two equivalent Fe(1), two equivalent Fe(4), one Ge(3), one Ge(5), two equivalent Ge(1), and two equivalent Ge(2) atoms to form a mixture of distorted face, corner, and edge-sharing FeLi2Fe4Ge6 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one Ge(3), one Ge(5), and three equivalent Ge(4) atoms. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one Ge(3), one Ge(5), and three equivalent Ge(4) atoms. In the fourth Fe site, Fe(4) is bonded to two equivalent Li(1), four equivalent Fe(1), one Ge(3), one Ge(5), two equivalent Ge(1), and two equivalent Ge(2) atoms to form a mixture of distorted face, corner, and edge-sharing FeLi2Fe4Ge6 cuboctahedra. There are five inequivalent Ge sites. In the first Ge site, Ge(3) is bonded in a 9-coordinate geometry to three equivalent Li(1), one Fe(3), one Fe(4), two equivalent Fe(1), and two equivalent Fe(2) atoms. In the second Ge site, Ge(4) is bonded in a 10-coordinate geometry to one Li(1), three equivalent Fe(3), and six equivalent Fe(2) atoms. In the third Ge site, Ge(5) is bonded in a 9-coordinate geometry to three equivalent Li(1), one Fe(3), one Fe(4), two equivalent Fe(1), and two equivalent Fe(2) atoms. In the fourth Ge site, Ge(1) is bonded in a 6-coordinate geometry to two equivalent Fe(4) and four equivalent Fe(1) atoms. In the fifth Ge site, Ge(2) is bonded in a 8-coordinate geometry to one Li(1), two equivalent Fe(4), four equivalent Fe(1), and one Ge(2) atom. is represented by the CIF card [CIF]
data_LiFe6Ge5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.998
_cell_length_b   4.998
_cell_length_c   14.725
_cell_angle_alpha   80.235
_cell_angle_beta   80.235
_cell_angle_gamma   60.111
_symmetry_Int_Tables_number   1
_cell_volume   312.762
_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  0.091  0.091  0.737  1.0
  Li  Li1  1  0.909  0.909  0.263  1.0
  Fe  Fe2  1  0.046  0.546  0.862  1.0
  Fe  Fe3  1  0.546  0.046  0.862  1.0
  Fe  Fe4  1  0.954  0.454  0.138  1.0
  Fe  Fe5  1  0.454  0.954  0.138  1.0
  Fe  Fe6  1  0.144  0.634  0.583  1.0
  Fe  Fe7  1  0.634  0.144  0.583  1.0
  Fe  Fe8  1  0.856  0.366  0.417  1.0
  Fe  Fe9  1  0.366  0.856  0.417  1.0
  Fe  Fe10  1  0.365  0.365  0.418  1.0
  Fe  Fe11  1  0.635  0.635  0.582  1.0
  Fe  Fe12  1  0.453  0.453  0.138  1.0
  Fe  Fe13  1  0.547  0.547  0.862  1.0
  Ge  Ge14  1  0.334  0.334  1.000  1.0
  Ge  Ge15  1  0.666  0.666  0.000  1.0
  Ge  Ge16  1  0.029  0.029  0.912  1.0
  Ge  Ge17  1  0.971  0.971  0.088  1.0
  Ge  Ge18  1  0.426  0.426  0.724  1.0
  Ge  Ge19  1  0.574  0.574  0.276  1.0
  Ge  Ge20  1  0.146  0.146  0.557  1.0
  Ge  Ge21  1  0.854  0.854  0.443  1.0
  Ge  Ge22  1  0.241  0.241  0.277  1.0
  Ge  Ge23  1  0.759  0.759  0.723  1.0
[/CIF]
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