The material structure described by LiB13C2 crystallizes in the orthorhombic Imma space group. Li(1) is bonded in a 11-coordinate geometry to one B(5), two equivalent B(1), and eight equivalent B(3) atoms. There are five inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to one Li(1), one B(1), one B(4), two equivalent B(2), and two equivalent B(3) atoms. In the second B site, B(2) is bonded in a distorted single-bond geometry to one B(1), two equivalent B(3), and one C(1) atom. In the third B site, B(3) is bonded in a 8-coordinate geometry to two equivalent Li(1), one B(1), one B(4), two equivalent B(2), and two equivalent B(3) atoms. In the fourth B site, B(4) is bonded in a distorted single-bond geometry to one B(1), two equivalent B(3), and one C(1) atom. In the fifth B site, B(5) is bonded in a linear geometry to one Li(1) and two equivalent C(1) atoms. C(1) is bonded to one B(4), one B(5), and two equivalent B(2) atoms to form corner-sharing CB4 tetrahedra. is represented by the CIF file [CIF]
data_LiB13C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.304
_cell_length_b   7.304
_cell_length_c   7.304
_cell_angle_alpha   134.362
_cell_angle_beta   113.321
_cell_angle_gamma   84.544
_symmetry_Int_Tables_number   1
_cell_volume   245.783
_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  0.203  0.500  0.703  1.0
  Li  Li1  1  0.307  0.000  0.308  1.0
  B  B2  1  0.409  0.417  0.992  1.0
  B  B3  1  0.378  0.575  0.309  1.0
  B  B4  1  0.734  0.931  0.309  1.0
  B  B5  1  0.131  0.925  0.700  1.0
  B  B6  1  0.983  0.659  0.004  1.0
  B  B7  1  0.345  0.021  0.004  1.0
  B  B8  1  0.131  0.431  0.206  1.0
  B  B9  1  0.734  0.425  0.803  1.0
  B  B10  1  0.164  0.158  0.685  1.0
  B  B11  1  0.100  0.083  0.017  1.0
  B  B12  1  0.003  0.176  0.827  1.0
  B  B13  1  0.345  0.341  0.324  1.0
  B  B14  1  0.775  0.569  0.700  1.0
  B  B15  1  0.576  0.583  0.992  1.0
  B  B16  1  0.378  0.069  0.803  1.0
  B  B17  1  0.869  0.500  0.369  1.0
  B  B18  1  0.526  0.521  0.685  1.0
  B  B19  1  0.934  0.917  0.017  1.0
  B  B20  1  0.858  0.676  0.182  1.0
  B  B21  1  0.164  0.479  0.006  1.0
  B  B22  1  0.983  0.979  0.324  1.0
  B  B23  1  0.651  0.824  0.827  1.0
  B  B24  1  0.775  0.075  0.206  1.0
  B  B25  1  0.506  0.324  0.182  1.0
  B  B26  1  0.640  0.000  0.640  1.0
  B  B27  1  0.526  0.842  0.006  1.0
  C  C28  1  0.504  0.869  0.634  1.0
  C  C29  1  0.765  0.131  0.634  1.0
  C  C30  1  0.744  0.369  0.375  1.0
  C  C31  1  0.006  0.631  0.375  1.0
[/CIF]
.
The material structure described by LiB13C2 crystallizes in the orthorhombic Imma space group. Li(1) is bonded in a 11-coordinate geometry to one B(5), two equivalent B(1), and eight equivalent B(3) atoms. There are five inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to one Li(1), one B(1), one B(4), two equivalent B(2), and two equivalent B(3) atoms. In the second B site, B(2) is bonded in a distorted single-bond geometry to one B(1), two equivalent B(3), and one C(1) atom. In the third B site, B(3) is bonded in a 8-coordinate geometry to two equivalent Li(1), one B(1), one B(4), two equivalent B(2), and two equivalent B(3) atoms. In the fourth B site, B(4) is bonded in a distorted single-bond geometry to one B(1), two equivalent B(3), and one C(1) atom. In the fifth B site, B(5) is bonded in a linear geometry to one Li(1) and two equivalent C(1) atoms. C(1) is bonded to one B(4), one B(5), and two equivalent B(2) atoms to form corner-sharing CB4 tetrahedra. is represented by the CIF file [CIF]
data_LiB13C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.304
_cell_length_b   7.304
_cell_length_c   7.304
_cell_angle_alpha   134.362
_cell_angle_beta   113.321
_cell_angle_gamma   84.544
_symmetry_Int_Tables_number   1
_cell_volume   245.783
_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  0.203  0.500  0.703  1.0
  Li  Li1  1  0.307  0.000  0.308  1.0
  B  B2  1  0.409  0.417  0.992  1.0
  B  B3  1  0.378  0.575  0.309  1.0
  B  B4  1  0.734  0.931  0.309  1.0
  B  B5  1  0.131  0.925  0.700  1.0
  B  B6  1  0.983  0.659  0.004  1.0
  B  B7  1  0.345  0.021  0.004  1.0
  B  B8  1  0.131  0.431  0.206  1.0
  B  B9  1  0.734  0.425  0.803  1.0
  B  B10  1  0.164  0.158  0.685  1.0
  B  B11  1  0.100  0.083  0.017  1.0
  B  B12  1  0.003  0.176  0.827  1.0
  B  B13  1  0.345  0.341  0.324  1.0
  B  B14  1  0.775  0.569  0.700  1.0
  B  B15  1  0.576  0.583  0.992  1.0
  B  B16  1  0.378  0.069  0.803  1.0
  B  B17  1  0.869  0.500  0.369  1.0
  B  B18  1  0.526  0.521  0.685  1.0
  B  B19  1  0.934  0.917  0.017  1.0
  B  B20  1  0.858  0.676  0.182  1.0
  B  B21  1  0.164  0.479  0.006  1.0
  B  B22  1  0.983  0.979  0.324  1.0
  B  B23  1  0.651  0.824  0.827  1.0
  B  B24  1  0.775  0.075  0.206  1.0
  B  B25  1  0.506  0.324  0.182  1.0
  B  B26  1  0.640  0.000  0.640  1.0
  B  B27  1  0.526  0.842  0.006  1.0
  C  C28  1  0.504  0.869  0.634  1.0
  C  C29  1  0.765  0.131  0.634  1.0
  C  C30  1  0.744  0.369  0.375  1.0
  C  C31  1  0.006  0.631  0.375  1.0
[/CIF]
.