The material described by Li11Ge6 crystallizes in the orthorhombic Cmcm space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a 11-coordinate geometry to one Li(1), one Li(2), two equivalent Li(5), three equivalent Li(7), one Ge(1), one Ge(2), and two equivalent Ge(3) atoms. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), one Ge(1), two equivalent Ge(3), and two equivalent Ge(4) atoms. In the third Li site, Li(3) is bonded in a 15-coordinate geometry to one Li(4), two equivalent Li(2), two equivalent Li(7), two equivalent Ge(2), four equivalent Ge(3), and four equivalent Ge(4) atoms. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one Li(3), one Ge(1), and four equivalent Ge(4) atoms. In the fifth Li site, Li(5) is bonded in a distorted bent 120 degrees geometry to four equivalent Li(1) and two equivalent Ge(1) atoms. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to two equivalent Ge(1) and two equivalent Ge(4) atoms. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one Li(3), three equivalent Li(1), two equivalent Ge(2), and three equivalent Ge(3) atoms. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 11-coordinate geometry to one Li(4), two equivalent Li(1), two equivalent Li(2), two equivalent Li(5), and four equivalent Li(6) atoms. In the second Ge site, Ge(2) is bonded in a 10-coordinate geometry to two equivalent Li(1), two equivalent Li(3), four equivalent Li(7), and two equivalent Ge(3) atoms. In the third Ge site, Ge(3) is bonded in a 11-coordinate geometry to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), three equivalent Li(7), one Ge(2), and one Ge(4) atom. In the fourth Ge site, Ge(4) is bonded in a 10-coordinate geometry to two equivalent Li(2), two equivalent Li(3), two equivalent Li(4), two equivalent Li(6), one Ge(3), and one Ge(4) atom. is represented by the CIF file [CIF]
data_Li11Ge6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.306
_cell_length_b   10.522
_cell_length_c   12.471
_cell_angle_alpha   90.000
_cell_angle_beta   99.941
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   556.609
_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  0.178  0.120  0.357  1.0
  Li  Li1  1  0.822  0.880  0.643  1.0
  Li  Li2  1  0.822  0.620  0.643  1.0
  Li  Li3  1  0.178  0.380  0.357  1.0
  Li  Li4  1  0.912  0.998  0.824  1.0
  Li  Li5  1  0.088  0.002  0.176  1.0
  Li  Li6  1  0.088  0.498  0.176  1.0
  Li  Li7  1  0.912  0.502  0.824  1.0
  Li  Li8  1  0.143  0.750  0.286  1.0
  Li  Li9  1  0.857  0.250  0.714  1.0
  Li  Li10  1  0.025  0.750  0.049  1.0
  Li  Li11  1  0.975  0.250  0.951  1.0
  Li  Li12  1  0.638  0.250  0.275  1.0
  Li  Li13  1  0.362  0.750  0.725  1.0
  Li  Li14  1  0.535  0.115  0.070  1.0
  Li  Li15  1  0.465  0.885  0.930  1.0
  Li  Li16  1  0.465  0.615  0.930  1.0
  Li  Li17  1  0.535  0.385  0.070  1.0
  Li  Li18  1  0.758  0.395  0.516  1.0
  Li  Li19  1  0.242  0.605  0.484  1.0
  Li  Li20  1  0.242  0.895  0.484  1.0
  Li  Li21  1  0.758  0.105  0.516  1.0
  Ge  Ge22  1  0.919  0.750  0.838  1.0
  Ge  Ge23  1  0.081  0.250  0.162  1.0
  Ge  Ge24  1  0.729  0.750  0.458  1.0
  Ge  Ge25  1  0.271  0.250  0.542  1.0
  Ge  Ge26  1  0.329  0.445  0.658  1.0
  Ge  Ge27  1  0.671  0.555  0.342  1.0
  Ge  Ge28  1  0.671  0.945  0.342  1.0
  Ge  Ge29  1  0.329  0.055  0.658  1.0
  Ge  Ge30  1  0.424  0.365  0.848  1.0
  Ge  Ge31  1  0.576  0.635  0.152  1.0
  Ge  Ge32  1  0.576  0.865  0.152  1.0
  Ge  Ge33  1  0.424  0.135  0.848  1.0
[/CIF]
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The material described by Li11Ge6 crystallizes in the orthorhombic Cmcm space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a 11-coordinate geometry to one Li(1), one Li(2), two equivalent Li(5), three equivalent Li(7), one Ge(1), one Ge(2), and two equivalent Ge(3) atoms. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), one Ge(1), two equivalent Ge(3), and two equivalent Ge(4) atoms. In the third Li site, Li(3) is bonded in a 15-coordinate geometry to one Li(4), two equivalent Li(2), two equivalent Li(7), two equivalent Ge(2), four equivalent Ge(3), and four equivalent Ge(4) atoms. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one Li(3), one Ge(1), and four equivalent Ge(4) atoms. In the fifth Li site, Li(5) is bonded in a distorted bent 120 degrees geometry to four equivalent Li(1) and two equivalent Ge(1) atoms. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to two equivalent Ge(1) and two equivalent Ge(4) atoms. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one Li(3), three equivalent Li(1), two equivalent Ge(2), and three equivalent Ge(3) atoms. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 11-coordinate geometry to one Li(4), two equivalent Li(1), two equivalent Li(2), two equivalent Li(5), and four equivalent Li(6) atoms. In the second Ge site, Ge(2) is bonded in a 10-coordinate geometry to two equivalent Li(1), two equivalent Li(3), four equivalent Li(7), and two equivalent Ge(3) atoms. In the third Ge site, Ge(3) is bonded in a 11-coordinate geometry to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), three equivalent Li(7), one Ge(2), and one Ge(4) atom. In the fourth Ge site, Ge(4) is bonded in a 10-coordinate geometry to two equivalent Li(2), two equivalent Li(3), two equivalent Li(4), two equivalent Li(6), one Ge(3), and one Ge(4) atom. is represented by the CIF file [CIF]
data_Li11Ge6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.306
_cell_length_b   10.522
_cell_length_c   12.471
_cell_angle_alpha   90.000
_cell_angle_beta   99.941
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   556.609
_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  0.178  0.120  0.357  1.0
  Li  Li1  1  0.822  0.880  0.643  1.0
  Li  Li2  1  0.822  0.620  0.643  1.0
  Li  Li3  1  0.178  0.380  0.357  1.0
  Li  Li4  1  0.912  0.998  0.824  1.0
  Li  Li5  1  0.088  0.002  0.176  1.0
  Li  Li6  1  0.088  0.498  0.176  1.0
  Li  Li7  1  0.912  0.502  0.824  1.0
  Li  Li8  1  0.143  0.750  0.286  1.0
  Li  Li9  1  0.857  0.250  0.714  1.0
  Li  Li10  1  0.025  0.750  0.049  1.0
  Li  Li11  1  0.975  0.250  0.951  1.0
  Li  Li12  1  0.638  0.250  0.275  1.0
  Li  Li13  1  0.362  0.750  0.725  1.0
  Li  Li14  1  0.535  0.115  0.070  1.0
  Li  Li15  1  0.465  0.885  0.930  1.0
  Li  Li16  1  0.465  0.615  0.930  1.0
  Li  Li17  1  0.535  0.385  0.070  1.0
  Li  Li18  1  0.758  0.395  0.516  1.0
  Li  Li19  1  0.242  0.605  0.484  1.0
  Li  Li20  1  0.242  0.895  0.484  1.0
  Li  Li21  1  0.758  0.105  0.516  1.0
  Ge  Ge22  1  0.919  0.750  0.838  1.0
  Ge  Ge23  1  0.081  0.250  0.162  1.0
  Ge  Ge24  1  0.729  0.750  0.458  1.0
  Ge  Ge25  1  0.271  0.250  0.542  1.0
  Ge  Ge26  1  0.329  0.445  0.658  1.0
  Ge  Ge27  1  0.671  0.555  0.342  1.0
  Ge  Ge28  1  0.671  0.945  0.342  1.0
  Ge  Ge29  1  0.329  0.055  0.658  1.0
  Ge  Ge30  1  0.424  0.365  0.848  1.0
  Ge  Ge31  1  0.576  0.635  0.152  1.0
  Ge  Ge32  1  0.576  0.865  0.152  1.0
  Ge  Ge33  1  0.424  0.135  0.848  1.0
[/CIF]
.