The material described by Li3Co(BO3)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(5), one O(6), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Co(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with three equivalent Co(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. Co(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form CoO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with three equivalent Li(3)O4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a tetrahedral geometry to one Li(2), one Li(3), one Co(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(1), and one B(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Li(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Co(1), and one B(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one B(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Co(1), and one B(2) atom. is represented by the CIF file [CIF]
data_Li3Co(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.005
_cell_length_b   6.316
_cell_length_c   8.010
_cell_angle_alpha   74.579
_cell_angle_beta   89.348
_cell_angle_gamma   88.944
_symmetry_Int_Tables_number   1
_cell_volume   244.056
_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  0.174  0.897  0.926  1.0
  Li  Li1  1  0.326  0.026  0.259  1.0
  Li  Li2  1  0.332  0.740  0.609  1.0
  Li  Li3  1  0.668  0.260  0.391  1.0
  Li  Li4  1  0.674  0.974  0.741  1.0
  Li  Li5  1  0.826  0.103  0.074  1.0
  Co  Co6  1  0.154  0.550  0.270  1.0
  Co  Co7  1  0.846  0.450  0.730  1.0
  B  B8  1  0.157  0.170  0.574  1.0
  B  B9  1  0.332  0.323  0.910  1.0
  B  B10  1  0.668  0.677  0.090  1.0
  B  B11  1  0.843  0.830  0.426  1.0
  O  O12  1  0.110  0.771  0.397  1.0
  O  O13  1  0.203  0.488  0.783  1.0
  O  O14  1  0.202  0.166  0.029  1.0
  O  O15  1  0.273  0.278  0.413  1.0
  O  O16  1  0.292  0.008  0.687  1.0
  O  O17  1  0.387  0.678  0.096  1.0
  O  O18  1  0.613  0.322  0.904  1.0
  O  O19  1  0.708  0.992  0.313  1.0
  O  O20  1  0.727  0.722  0.587  1.0
  O  O21  1  0.798  0.834  0.971  1.0
  O  O22  1  0.797  0.512  0.217  1.0
  O  O23  1  0.890  0.229  0.603  1.0
[/CIF]
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The material described by Li3Co(BO3)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(5), one O(6), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Co(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with three equivalent Co(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. Co(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form CoO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with three equivalent Li(3)O4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a tetrahedral geometry to one Li(2), one Li(3), one Co(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(1), and one B(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Li(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Co(1), and one B(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one B(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Co(1), and one B(2) atom. is represented by the CIF file [CIF]
data_Li3Co(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.005
_cell_length_b   6.316
_cell_length_c   8.010
_cell_angle_alpha   74.579
_cell_angle_beta   89.348
_cell_angle_gamma   88.944
_symmetry_Int_Tables_number   1
_cell_volume   244.056
_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  0.174  0.897  0.926  1.0
  Li  Li1  1  0.326  0.026  0.259  1.0
  Li  Li2  1  0.332  0.740  0.609  1.0
  Li  Li3  1  0.668  0.260  0.391  1.0
  Li  Li4  1  0.674  0.974  0.741  1.0
  Li  Li5  1  0.826  0.103  0.074  1.0
  Co  Co6  1  0.154  0.550  0.270  1.0
  Co  Co7  1  0.846  0.450  0.730  1.0
  B  B8  1  0.157  0.170  0.574  1.0
  B  B9  1  0.332  0.323  0.910  1.0
  B  B10  1  0.668  0.677  0.090  1.0
  B  B11  1  0.843  0.830  0.426  1.0
  O  O12  1  0.110  0.771  0.397  1.0
  O  O13  1  0.203  0.488  0.783  1.0
  O  O14  1  0.202  0.166  0.029  1.0
  O  O15  1  0.273  0.278  0.413  1.0
  O  O16  1  0.292  0.008  0.687  1.0
  O  O17  1  0.387  0.678  0.096  1.0
  O  O18  1  0.613  0.322  0.904  1.0
  O  O19  1  0.708  0.992  0.313  1.0
  O  O20  1  0.727  0.722  0.587  1.0
  O  O21  1  0.798  0.834  0.971  1.0
  O  O22  1  0.797  0.512  0.217  1.0
  O  O23  1  0.890  0.229  0.603  1.0
[/CIF]
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