The material described by LiBO2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Li(1) is bonded to four equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with eight equivalent B(1)O4 tetrahedra and corners with four equivalent Li(1)O4 trigonal pyramids. B(1) is bonded to four equivalent O(1) atoms to form BO4 tetrahedra that share corners with four equivalent B(1)O4 tetrahedra and corners with eight equivalent Li(1)O4 trigonal pyramids. O(1) is bonded to two equivalent Li(1) and two equivalent B(1) atoms to form distorted corner-sharing OLi2B2 trigonal pyramids. is represented by the CIF card [CIF]
data_LiBO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.177
_cell_length_b   4.177
_cell_length_c   4.401
_cell_angle_alpha   118.329
_cell_angle_beta   118.329
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   56.930
_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  0.500  0.500  0.000  1.0
  Li  Li1  1  0.750  0.250  0.500  1.0
  B  B2  1  0.000  0.000  0.000  1.0
  B  B3  1  0.250  0.750  0.500  1.0
  O  O4  1  0.966  0.875  0.250  1.0
  O  O5  1  0.625  0.034  0.750  1.0
  O  O6  1  0.125  0.716  0.750  1.0
  O  O7  1  0.284  0.375  0.250  1.0
[/CIF]
.
The material described by LiBO2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Li(1) is bonded to four equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with eight equivalent B(1)O4 tetrahedra and corners with four equivalent Li(1)O4 trigonal pyramids. B(1) is bonded to four equivalent O(1) atoms to form BO4 tetrahedra that share corners with four equivalent B(1)O4 tetrahedra and corners with eight equivalent Li(1)O4 trigonal pyramids. O(1) is bonded to two equivalent Li(1) and two equivalent B(1) atoms to form distorted corner-sharing OLi2B2 trigonal pyramids. is represented by the CIF card [CIF]
data_LiBO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.177
_cell_length_b   4.177
_cell_length_c   4.401
_cell_angle_alpha   118.329
_cell_angle_beta   118.329
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   56.930
_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  0.500  0.500  0.000  1.0
  Li  Li1  1  0.750  0.250  0.500  1.0
  B  B2  1  0.000  0.000  0.000  1.0
  B  B3  1  0.250  0.750  0.500  1.0
  O  O4  1  0.966  0.875  0.250  1.0
  O  O5  1  0.625  0.034  0.750  1.0
  O  O6  1  0.125  0.716  0.750  1.0
  O  O7  1  0.284  0.375  0.250  1.0
[/CIF]
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