The compound described by LiB9 crystallizes in the hexagonal P6_3cm space group. Li(1) is bonded in a 14-coordinate geometry to two equivalent Li(1), six equivalent B(1), and six equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(2) is bonded in a 7-coordinate geometry to one Li(1), three equivalent B(1), and three equivalent B(2) atoms. In the second B site, B(1) is bonded in a 8-coordinate geometry to two equivalent Li(1) and six equivalent B(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiB9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.012
_cell_length_b   5.742
_cell_length_c   5.742
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   143.115
_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  0.584  0.000  0.000  1.0
  Li  Li1  1  0.084  0.000  0.000  1.0
  B  B2  1  0.313  0.372  0.000  1.0
  B  B3  1  0.313  0.628  0.628  1.0
  B  B4  1  0.313  0.000  0.372  1.0
  B  B5  1  0.813  0.628  0.000  1.0
  B  B6  1  0.813  0.372  0.372  1.0
  B  B7  1  0.813  0.000  0.628  1.0
  B  B8  1  0.473  0.526  0.831  1.0
  B  B9  1  0.473  0.304  0.474  1.0
  B  B10  1  0.473  0.169  0.696  1.0
  B  B11  1  0.473  0.696  0.169  1.0
  B  B12  1  0.473  0.831  0.526  1.0
  B  B13  1  0.473  0.474  0.304  1.0
  B  B14  1  0.973  0.474  0.169  1.0
  B  B15  1  0.973  0.696  0.526  1.0
  B  B16  1  0.973  0.831  0.304  1.0
  B  B17  1  0.973  0.304  0.831  1.0
  B  B18  1  0.973  0.169  0.474  1.0
  B  B19  1  0.973  0.526  0.696  1.0
[/CIF]
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The compound described by LiB9 crystallizes in the hexagonal P6_3cm space group. Li(1) is bonded in a 14-coordinate geometry to two equivalent Li(1), six equivalent B(1), and six equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(2) is bonded in a 7-coordinate geometry to one Li(1), three equivalent B(1), and three equivalent B(2) atoms. In the second B site, B(1) is bonded in a 8-coordinate geometry to two equivalent Li(1) and six equivalent B(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiB9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.012
_cell_length_b   5.742
_cell_length_c   5.742
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   143.115
_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  0.584  0.000  0.000  1.0
  Li  Li1  1  0.084  0.000  0.000  1.0
  B  B2  1  0.313  0.372  0.000  1.0
  B  B3  1  0.313  0.628  0.628  1.0
  B  B4  1  0.313  0.000  0.372  1.0
  B  B5  1  0.813  0.628  0.000  1.0
  B  B6  1  0.813  0.372  0.372  1.0
  B  B7  1  0.813  0.000  0.628  1.0
  B  B8  1  0.473  0.526  0.831  1.0
  B  B9  1  0.473  0.304  0.474  1.0
  B  B10  1  0.473  0.169  0.696  1.0
  B  B11  1  0.473  0.696  0.169  1.0
  B  B12  1  0.473  0.831  0.526  1.0
  B  B13  1  0.473  0.474  0.304  1.0
  B  B14  1  0.973  0.474  0.169  1.0
  B  B15  1  0.973  0.696  0.526  1.0
  B  B16  1  0.973  0.831  0.304  1.0
  B  B17  1  0.973  0.304  0.831  1.0
  B  B18  1  0.973  0.169  0.474  1.0
  B  B19  1  0.973  0.526  0.696  1.0
[/CIF]
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