The structure described by LiB11 crystallizes in the tetragonal I-4m2 space group. Li(1) is bonded in a 8-coordinate geometry to four equivalent B(1), four equivalent B(3), and eight equivalent B(2) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 10-coordinate geometry to two equivalent Li(1), one B(1), one B(4), two equivalent B(3), and four equivalent B(2) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent B(1), and four equivalent B(3) atoms. In the third B site, B(3) is bonded in a 10-coordinate geometry to one Li(1), one B(1), one B(4), three equivalent B(3), and four equivalent B(2) atoms. In the fourth B site, B(4) is bonded in a distorted hexagonal planar geometry to two equivalent B(1) and four equivalent B(3) atoms. is represented by the CIF file [CIF]
data_LiB11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.754
_cell_length_b   4.754
_cell_length_c   4.754
_cell_angle_alpha   110.188
_cell_angle_beta   110.188
_cell_angle_gamma   108.047
_symmetry_Int_Tables_number   1
_cell_volume   82.666
_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  0.750  0.250  0.500  1.0
  B  B1  1  0.680  0.680  0.000  1.0
  B  B2  1  0.320  0.320  0.000  1.0
  B  B3  1  0.297  0.297  0.595  1.0
  B  B4  1  0.703  0.703  0.405  1.0
  B  B5  1  0.703  0.297  0.000  1.0
  B  B6  1  0.297  0.703  0.000  1.0
  B  B7  1  0.123  0.836  0.287  1.0
  B  B8  1  0.549  0.836  0.713  1.0
  B  B9  1  0.164  0.451  0.287  1.0
  B  B10  1  0.164  0.877  0.713  1.0
  B  B11  1  0.000  0.000  0.000  1.0
[/CIF]
.
The structure described by LiB11 crystallizes in the tetragonal I-4m2 space group. Li(1) is bonded in a 8-coordinate geometry to four equivalent B(1), four equivalent B(3), and eight equivalent B(2) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 10-coordinate geometry to two equivalent Li(1), one B(1), one B(4), two equivalent B(3), and four equivalent B(2) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent B(1), and four equivalent B(3) atoms. In the third B site, B(3) is bonded in a 10-coordinate geometry to one Li(1), one B(1), one B(4), three equivalent B(3), and four equivalent B(2) atoms. In the fourth B site, B(4) is bonded in a distorted hexagonal planar geometry to two equivalent B(1) and four equivalent B(3) atoms. is represented by the CIF file [CIF]
data_LiB11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.754
_cell_length_b   4.754
_cell_length_c   4.754
_cell_angle_alpha   110.188
_cell_angle_beta   110.188
_cell_angle_gamma   108.047
_symmetry_Int_Tables_number   1
_cell_volume   82.666
_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  0.750  0.250  0.500  1.0
  B  B1  1  0.680  0.680  0.000  1.0
  B  B2  1  0.320  0.320  0.000  1.0
  B  B3  1  0.297  0.297  0.595  1.0
  B  B4  1  0.703  0.703  0.405  1.0
  B  B5  1  0.703  0.297  0.000  1.0
  B  B6  1  0.297  0.703  0.000  1.0
  B  B7  1  0.123  0.836  0.287  1.0
  B  B8  1  0.549  0.836  0.713  1.0
  B  B9  1  0.164  0.451  0.287  1.0
  B  B10  1  0.164  0.877  0.713  1.0
  B  B11  1  0.000  0.000  0.000  1.0
[/CIF]
.