The material structure described by LiCoBO3 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(6), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Co(2)O5 trigonal bipyramids, corners with two equivalent Li(1)O4 trigonal pyramids, and edges with two equivalent Co(1)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(3), one O(5), and two equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Co(1)O5 trigonal bipyramids, corners with two equivalent Li(2)O4 trigonal pyramids, and edges with two equivalent Co(2)O5 trigonal bipyramids. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), two equivalent O(4), and two equivalent O(5) atoms to form distorted CoO5 trigonal bipyramids that share corners with two equivalent Li(2)O4 trigonal pyramids, edges with two equivalent Co(1)O5 trigonal bipyramids, and edges with two equivalent Li(1)O4 trigonal pyramids. In the second Co site, Co(2) is bonded to one O(2), two equivalent O(3), and two equivalent O(6) atoms to form distorted CoO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Co(2)O5 trigonal bipyramids, and edges with two equivalent Li(2)O4 trigonal pyramids. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Co(1), and one B(2) atom to form distorted OLi2CoB trigonal pyramids that share corners with two equivalent O(5)LiCo2B tetrahedra, corners with three equivalent O(6)LiCo2B tetrahedra,  a cornercorner with one O(4)LiCo2B trigonal pyramid, corners with two equivalent O(1)Li2CoB trigonal pyramids, and edges with two equivalent O(4)LiCo2B trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Li(2), one Co(2), and one B(1) atom to form distorted OLi2CoB trigonal pyramids that share corners with two equivalent O(6)LiCo2B tetrahedra, corners with three equivalent O(5)LiCo2B tetrahedra,  a cornercorner with one O(3)LiCo2B trigonal pyramid, corners with two equivalent O(2)Li2CoB trigonal pyramids, and edges with two equivalent O(3)LiCo2B trigonal pyramids. In the third O site, O(3) is bonded to one Li(2), two equivalent Co(2), and one B(1) atom to form distorted OLiCo2B trigonal pyramids that share corners with two equivalent O(6)LiCo2B tetrahedra,  a cornercorner with one O(2)Li2CoB trigonal pyramid, corners with two equivalent O(3)LiCo2B trigonal pyramids,  an edgeedge with one O(5)LiCo2B tetrahedra,  an edgeedge with one O(6)LiCo2B tetrahedra, and edges with two equivalent O(2)Li2CoB trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Co(1), and one B(2) atom to form distorted OLiCo2B trigonal pyramids that share corners with two equivalent O(5)LiCo2B tetrahedra,  a cornercorner with one O(1)Li2CoB trigonal pyramid, corners with two equivalent O(4)LiCo2B trigonal pyramids,  an edgeedge with one O(5)LiCo2B tetrahedra,  an edgeedge with one O(6)LiCo2B tetrahedra, and edges with two equivalent O(1)Li2CoB trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Co(1), and one B(1) atom to form distorted OLiCo2B tetrahedra that share corners with two equivalent O(5)LiCo2B tetrahedra, corners with two equivalent O(1)Li2CoB trigonal pyramids, corners with two equivalent O(4)LiCo2B trigonal pyramids, corners with three equivalent O(2)Li2CoB trigonal pyramids,  an edgeedge with one O(3)LiCo2B trigonal pyramid, and  an edgeedge with one O(4)LiCo2B trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(1), two equivalent Co(2), and one B(2) atom to form distorted OLiCo2B tetrahedra that share corners with two equivalent O(6)LiCo2B tetrahedra, corners with two equivalent O(2)Li2CoB trigonal pyramids, corners with two equivalent O(3)LiCo2B trigonal pyramids, corners with three equivalent O(1)Li2CoB trigonal pyramids,  an edgeedge with one O(3)LiCo2B trigonal pyramid, and  an edgeedge with one O(4)LiCo2B trigonal pyramid. is represented by the CIF file [CIF]
data_LiCoBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.119
_cell_length_b   9.103
_cell_length_c   9.445
_cell_angle_alpha   90.000
_cell_angle_beta   90.004
_cell_angle_gamma   89.670
_symmetry_Int_Tables_number   1
_cell_volume   268.115
_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  0.258  0.133  0.701  1.0
  Li  Li1  1  0.245  0.367  0.202  1.0
  Li  Li2  1  0.758  0.633  0.799  1.0
  Li  Li3  1  0.745  0.867  0.298  1.0
  Co  Co4  1  0.743  0.206  0.940  1.0
  Co  Co5  1  0.243  0.706  0.560  1.0
  Co  Co6  1  0.751  0.294  0.440  1.0
  Co  Co7  1  0.251  0.794  0.060  1.0
  B  B8  1  0.244  0.104  0.210  1.0
  B  B9  1  0.257  0.396  0.710  1.0
  B  B10  1  0.744  0.604  0.290  1.0
  B  B11  1  0.757  0.896  0.790  1.0
  O  O12  1  0.762  0.047  0.786  1.0
  O  O13  1  0.744  0.453  0.286  1.0
  O  O14  1  0.262  0.547  0.714  1.0
  O  O15  1  0.243  0.953  0.214  1.0
  O  O16  1  0.248  0.186  0.334  1.0
  O  O17  1  0.255  0.314  0.834  1.0
  O  O18  1  0.748  0.686  0.166  1.0
  O  O19  1  0.754  0.814  0.666  1.0
  O  O20  1  0.242  0.183  0.082  1.0
  O  O21  1  0.252  0.317  0.582  1.0
  O  O22  1  0.742  0.683  0.418  1.0
  O  O23  1  0.752  0.817  0.918  1.0
[/CIF]
.
The material structure described by LiCoBO3 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(6), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Co(2)O5 trigonal bipyramids, corners with two equivalent Li(1)O4 trigonal pyramids, and edges with two equivalent Co(1)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(3), one O(5), and two equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Co(1)O5 trigonal bipyramids, corners with two equivalent Li(2)O4 trigonal pyramids, and edges with two equivalent Co(2)O5 trigonal bipyramids. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), two equivalent O(4), and two equivalent O(5) atoms to form distorted CoO5 trigonal bipyramids that share corners with two equivalent Li(2)O4 trigonal pyramids, edges with two equivalent Co(1)O5 trigonal bipyramids, and edges with two equivalent Li(1)O4 trigonal pyramids. In the second Co site, Co(2) is bonded to one O(2), two equivalent O(3), and two equivalent O(6) atoms to form distorted CoO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Co(2)O5 trigonal bipyramids, and edges with two equivalent Li(2)O4 trigonal pyramids. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Co(1), and one B(2) atom to form distorted OLi2CoB trigonal pyramids that share corners with two equivalent O(5)LiCo2B tetrahedra, corners with three equivalent O(6)LiCo2B tetrahedra,  a cornercorner with one O(4)LiCo2B trigonal pyramid, corners with two equivalent O(1)Li2CoB trigonal pyramids, and edges with two equivalent O(4)LiCo2B trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Li(2), one Co(2), and one B(1) atom to form distorted OLi2CoB trigonal pyramids that share corners with two equivalent O(6)LiCo2B tetrahedra, corners with three equivalent O(5)LiCo2B tetrahedra,  a cornercorner with one O(3)LiCo2B trigonal pyramid, corners with two equivalent O(2)Li2CoB trigonal pyramids, and edges with two equivalent O(3)LiCo2B trigonal pyramids. In the third O site, O(3) is bonded to one Li(2), two equivalent Co(2), and one B(1) atom to form distorted OLiCo2B trigonal pyramids that share corners with two equivalent O(6)LiCo2B tetrahedra,  a cornercorner with one O(2)Li2CoB trigonal pyramid, corners with two equivalent O(3)LiCo2B trigonal pyramids,  an edgeedge with one O(5)LiCo2B tetrahedra,  an edgeedge with one O(6)LiCo2B tetrahedra, and edges with two equivalent O(2)Li2CoB trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Co(1), and one B(2) atom to form distorted OLiCo2B trigonal pyramids that share corners with two equivalent O(5)LiCo2B tetrahedra,  a cornercorner with one O(1)Li2CoB trigonal pyramid, corners with two equivalent O(4)LiCo2B trigonal pyramids,  an edgeedge with one O(5)LiCo2B tetrahedra,  an edgeedge with one O(6)LiCo2B tetrahedra, and edges with two equivalent O(1)Li2CoB trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Co(1), and one B(1) atom to form distorted OLiCo2B tetrahedra that share corners with two equivalent O(5)LiCo2B tetrahedra, corners with two equivalent O(1)Li2CoB trigonal pyramids, corners with two equivalent O(4)LiCo2B trigonal pyramids, corners with three equivalent O(2)Li2CoB trigonal pyramids,  an edgeedge with one O(3)LiCo2B trigonal pyramid, and  an edgeedge with one O(4)LiCo2B trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(1), two equivalent Co(2), and one B(2) atom to form distorted OLiCo2B tetrahedra that share corners with two equivalent O(6)LiCo2B tetrahedra, corners with two equivalent O(2)Li2CoB trigonal pyramids, corners with two equivalent O(3)LiCo2B trigonal pyramids, corners with three equivalent O(1)Li2CoB trigonal pyramids,  an edgeedge with one O(3)LiCo2B trigonal pyramid, and  an edgeedge with one O(4)LiCo2B trigonal pyramid. is represented by the CIF file [CIF]
data_LiCoBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.119
_cell_length_b   9.103
_cell_length_c   9.445
_cell_angle_alpha   90.000
_cell_angle_beta   90.004
_cell_angle_gamma   89.670
_symmetry_Int_Tables_number   1
_cell_volume   268.115
_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  0.258  0.133  0.701  1.0
  Li  Li1  1  0.245  0.367  0.202  1.0
  Li  Li2  1  0.758  0.633  0.799  1.0
  Li  Li3  1  0.745  0.867  0.298  1.0
  Co  Co4  1  0.743  0.206  0.940  1.0
  Co  Co5  1  0.243  0.706  0.560  1.0
  Co  Co6  1  0.751  0.294  0.440  1.0
  Co  Co7  1  0.251  0.794  0.060  1.0
  B  B8  1  0.244  0.104  0.210  1.0
  B  B9  1  0.257  0.396  0.710  1.0
  B  B10  1  0.744  0.604  0.290  1.0
  B  B11  1  0.757  0.896  0.790  1.0
  O  O12  1  0.762  0.047  0.786  1.0
  O  O13  1  0.744  0.453  0.286  1.0
  O  O14  1  0.262  0.547  0.714  1.0
  O  O15  1  0.243  0.953  0.214  1.0
  O  O16  1  0.248  0.186  0.334  1.0
  O  O17  1  0.255  0.314  0.834  1.0
  O  O18  1  0.748  0.686  0.166  1.0
  O  O19  1  0.754  0.814  0.666  1.0
  O  O20  1  0.242  0.183  0.082  1.0
  O  O21  1  0.252  0.317  0.582  1.0
  O  O22  1  0.742  0.683  0.418  1.0
  O  O23  1  0.752  0.817  0.918  1.0
[/CIF]
.