The crystal structure described by LiCrBO3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 trigonal pyramids that share corners with four equivalent Cr(1)O5 trigonal bipyramids,  an edgeedge with one Cr(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. Cr(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form CrO5 trigonal bipyramids that share corners with four equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Cr(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Cr(1), and one B(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Cr(1), and one B(1) atom to form distorted edge-sharing OLiCr2B tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Cr(1), and one B(1) atom. is represented by the CIF file [CIF]
data_LiCrBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.271
_cell_length_b   5.288
_cell_length_c   5.768
_cell_angle_alpha   91.261
_cell_angle_beta   113.915
_cell_angle_gamma   118.802
_symmetry_Int_Tables_number   1
_cell_volume   123.970
_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
  B  B0  1  0.811  0.077  0.740  1.0
  B  B1  1  0.189  0.923  0.260  1.0
  Cr  Cr2  1  0.163  0.773  0.750  1.0
  Cr  Cr3  1  0.837  0.227  0.250  1.0
  Li  Li4  1  0.453  0.385  0.689  1.0
  Li  Li5  1  0.547  0.615  0.311  1.0
  O  O6  1  0.020  0.293  0.660  1.0
  O  O7  1  0.980  0.707  0.340  1.0
  O  O8  1  0.646  0.150  0.844  1.0
  O  O9  1  0.354  0.850  0.156  1.0
  O  O10  1  0.748  0.790  0.706  1.0
  O  O11  1  0.252  0.210  0.294  1.0
[/CIF]
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The crystal structure described by LiCrBO3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 trigonal pyramids that share corners with four equivalent Cr(1)O5 trigonal bipyramids,  an edgeedge with one Cr(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. Cr(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form CrO5 trigonal bipyramids that share corners with four equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Cr(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Cr(1), and one B(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Cr(1), and one B(1) atom to form distorted edge-sharing OLiCr2B tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Cr(1), and one B(1) atom. is represented by the CIF file [CIF]
data_LiCrBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.271
_cell_length_b   5.288
_cell_length_c   5.768
_cell_angle_alpha   91.261
_cell_angle_beta   113.915
_cell_angle_gamma   118.802
_symmetry_Int_Tables_number   1
_cell_volume   123.970
_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
  B  B0  1  0.811  0.077  0.740  1.0
  B  B1  1  0.189  0.923  0.260  1.0
  Cr  Cr2  1  0.163  0.773  0.750  1.0
  Cr  Cr3  1  0.837  0.227  0.250  1.0
  Li  Li4  1  0.453  0.385  0.689  1.0
  Li  Li5  1  0.547  0.615  0.311  1.0
  O  O6  1  0.020  0.293  0.660  1.0
  O  O7  1  0.980  0.707  0.340  1.0
  O  O8  1  0.646  0.150  0.844  1.0
  O  O9  1  0.354  0.850  0.156  1.0
  O  O10  1  0.748  0.790  0.706  1.0
  O  O11  1  0.252  0.210  0.294  1.0
[/CIF]
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