The material described by LiB11 crystallizes in the cubic F-43m space group. Li(1) is bonded in a 12-coordinate geometry to twelve equivalent B(2) atoms. There are three inequivalent B sites. In the first B site, B(3) is bonded in a 7-coordinate geometry to one B(1), three equivalent B(2), and three equivalent B(3) atoms. In the second B site, B(1) is bonded in a tetrahedral geometry to four equivalent B(3) atoms. In the third B site, B(2) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent B(3), and four equivalent B(2) atoms. is represented by the CIF file [CIF]
data_LiB11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.947
_cell_length_b   4.947
_cell_length_c   4.947
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   85.626
_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  0.250  0.250  0.250  1.0
  B  B1  1  0.750  0.750  0.750  1.0
  B  B2  1  0.321  0.321  0.679  1.0
  B  B3  1  0.679  0.321  0.679  1.0
  B  B4  1  0.321  0.679  0.679  1.0
  B  B5  1  0.679  0.679  0.321  1.0
  B  B6  1  0.321  0.679  0.321  1.0
  B  B7  1  0.679  0.321  0.321  1.0
  B  B8  1  0.279  0.907  0.907  1.0
  B  B9  1  0.907  0.279  0.907  1.0
  B  B10  1  0.907  0.907  0.907  1.0
  B  B11  1  0.907  0.907  0.279  1.0
[/CIF]
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The material described by LiB11 crystallizes in the cubic F-43m space group. Li(1) is bonded in a 12-coordinate geometry to twelve equivalent B(2) atoms. There are three inequivalent B sites. In the first B site, B(3) is bonded in a 7-coordinate geometry to one B(1), three equivalent B(2), and three equivalent B(3) atoms. In the second B site, B(1) is bonded in a tetrahedral geometry to four equivalent B(3) atoms. In the third B site, B(2) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent B(3), and four equivalent B(2) atoms. is represented by the CIF file [CIF]
data_LiB11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.947
_cell_length_b   4.947
_cell_length_c   4.947
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   85.626
_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  0.250  0.250  0.250  1.0
  B  B1  1  0.750  0.750  0.750  1.0
  B  B2  1  0.321  0.321  0.679  1.0
  B  B3  1  0.679  0.321  0.679  1.0
  B  B4  1  0.321  0.679  0.679  1.0
  B  B5  1  0.679  0.679  0.321  1.0
  B  B6  1  0.321  0.679  0.321  1.0
  B  B7  1  0.679  0.321  0.321  1.0
  B  B8  1  0.279  0.907  0.907  1.0
  B  B9  1  0.907  0.279  0.907  1.0
  B  B10  1  0.907  0.907  0.907  1.0
  B  B11  1  0.907  0.907  0.279  1.0
[/CIF]
.