The compound described by LiCoBO3 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 tetrahedra that share corners with five equivalent Co(1)O4 tetrahedra and  an edgeedge with one Li(1)O4 tetrahedra. Co(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form CoO4 tetrahedra that share corners with five equivalent Li(1)O4 tetrahedra and  an edgeedge with one Co(1)O4 tetrahedra. 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 trigonal planar geometry to one Li(1), one Co(1), and one B(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Co(1), and one B(1) atom to form distorted OLiCo2B tetrahedra that share corners with five equivalent O(3)Li2CoB tetrahedra and  an edgeedge with one O(2)LiCo2B tetrahedra. In the third O site, O(3) is bonded to two equivalent Li(1), one Co(1), and one B(1) atom to form distorted OLi2CoB tetrahedra that share corners with five equivalent O(2)LiCo2B tetrahedra and  an edgeedge with one O(3)Li2CoB tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCoBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.040
_cell_length_b   5.044
_cell_length_c   6.361
_cell_angle_alpha   67.682
_cell_angle_beta   69.071
_cell_angle_gamma   61.527
_symmetry_Int_Tables_number   1
_cell_volume   128.381
_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  0.932  0.071  0.747  1.0
  B  B1  1  0.068  0.930  0.253  1.0
  Co  Co2  1  0.255  0.355  0.825  1.0
  Co  Co3  1  0.746  0.645  0.175  1.0
  Li  Li4  1  0.643  0.757  0.656  1.0
  Li  Li5  1  0.357  0.243  0.344  1.0
  O  O6  1  0.671  0.340  0.732  1.0
  O  O7  1  0.329  0.660  0.268  1.0
  O  O8  1  0.907  0.780  0.820  1.0
  O  O9  1  0.093  0.220  0.180  1.0
  O  O10  1  0.220  0.080  0.691  1.0
  O  O11  1  0.780  0.920  0.309  1.0
[/CIF]
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The compound described by LiCoBO3 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 tetrahedra that share corners with five equivalent Co(1)O4 tetrahedra and  an edgeedge with one Li(1)O4 tetrahedra. Co(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form CoO4 tetrahedra that share corners with five equivalent Li(1)O4 tetrahedra and  an edgeedge with one Co(1)O4 tetrahedra. 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 trigonal planar geometry to one Li(1), one Co(1), and one B(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Co(1), and one B(1) atom to form distorted OLiCo2B tetrahedra that share corners with five equivalent O(3)Li2CoB tetrahedra and  an edgeedge with one O(2)LiCo2B tetrahedra. In the third O site, O(3) is bonded to two equivalent Li(1), one Co(1), and one B(1) atom to form distorted OLi2CoB tetrahedra that share corners with five equivalent O(2)LiCo2B tetrahedra and  an edgeedge with one O(3)Li2CoB tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCoBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.040
_cell_length_b   5.044
_cell_length_c   6.361
_cell_angle_alpha   67.682
_cell_angle_beta   69.071
_cell_angle_gamma   61.527
_symmetry_Int_Tables_number   1
_cell_volume   128.381
_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  0.932  0.071  0.747  1.0
  B  B1  1  0.068  0.930  0.253  1.0
  Co  Co2  1  0.255  0.355  0.825  1.0
  Co  Co3  1  0.746  0.645  0.175  1.0
  Li  Li4  1  0.643  0.757  0.656  1.0
  Li  Li5  1  0.357  0.243  0.344  1.0
  O  O6  1  0.671  0.340  0.732  1.0
  O  O7  1  0.329  0.660  0.268  1.0
  O  O8  1  0.907  0.780  0.820  1.0
  O  O9  1  0.093  0.220  0.180  1.0
  O  O10  1  0.220  0.080  0.691  1.0
  O  O11  1  0.780  0.920  0.309  1.0
[/CIF]
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