The material described by LiBO2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 4-coordinate geometry to one O(1) and three equivalent O(2) atoms. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent B(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Li(1) and one B(1) atom. is represented by the CIF file [CIF]
data_LiBO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.359
_cell_length_b   5.771
_cell_length_c   6.374
_cell_angle_alpha   113.564
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.980
_cell_formula_units_Z   4
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  0.788  0.566  0.652  1.0
  Li  Li1  1  0.288  0.434  0.848  1.0
  Li  Li2  1  0.212  0.434  0.348  1.0
  Li  Li3  1  0.712  0.566  0.152  1.0
  B  B4  1  0.323  0.874  0.726  1.0
  B  B5  1  0.823  0.126  0.774  1.0
  B  B6  1  0.677  0.126  0.274  1.0
  B  B7  1  0.177  0.874  0.226  1.0
  O  O8  1  0.642  0.914  0.739  1.0
  O  O9  1  0.142  0.086  0.761  1.0
  O  O10  1  0.358  0.086  0.261  1.0
  O  O11  1  0.858  0.914  0.239  1.0
  O  O12  1  0.223  0.642  0.679  1.0
  O  O13  1  0.723  0.358  0.821  1.0
  O  O14  1  0.777  0.358  0.321  1.0
  O  O15  1  0.277  0.642  0.179  1.0
[/CIF]
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The material described by LiBO2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 4-coordinate geometry to one O(1) and three equivalent O(2) atoms. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent B(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Li(1) and one B(1) atom. is represented by the CIF file [CIF]
data_LiBO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.359
_cell_length_b   5.771
_cell_length_c   6.374
_cell_angle_alpha   113.564
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.980
_cell_formula_units_Z   4
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  0.788  0.566  0.652  1.0
  Li  Li1  1  0.288  0.434  0.848  1.0
  Li  Li2  1  0.212  0.434  0.348  1.0
  Li  Li3  1  0.712  0.566  0.152  1.0
  B  B4  1  0.323  0.874  0.726  1.0
  B  B5  1  0.823  0.126  0.774  1.0
  B  B6  1  0.677  0.126  0.274  1.0
  B  B7  1  0.177  0.874  0.226  1.0
  O  O8  1  0.642  0.914  0.739  1.0
  O  O9  1  0.142  0.086  0.761  1.0
  O  O10  1  0.358  0.086  0.261  1.0
  O  O11  1  0.858  0.914  0.239  1.0
  O  O12  1  0.223  0.642  0.679  1.0
  O  O13  1  0.723  0.358  0.821  1.0
  O  O14  1  0.777  0.358  0.321  1.0
  O  O15  1  0.277  0.642  0.179  1.0
[/CIF]
.