The structure described by Li3Ni(BO3)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(3)O5 trigonal bipyramid, corners with three equivalent Ni(1)O5 trigonal bipyramids,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O5 trigonal bipyramid, and edges with two equivalent Ni(1)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Ni(1)O5 trigonal bipyramid, corners with two equivalent Li(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. Ni(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form NiO5 trigonal bipyramids that share corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, and edges with two equivalent Li(2)O5 trigonal bipyramids. 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(6) 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(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Ni(1), and one B(2) atom to form distorted OLi2NiB tetrahedra that share corners with three equivalent O(5)Li2NiB tetrahedra, corners with two equivalent O(3)Li4B trigonal bipyramids, corners with three equivalent O(4)Li2NiB trigonal pyramids, and corners with three equivalent O(6)Li2NiB trigonal pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Ni(1), and one B(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), two equivalent Li(3), and one B(1) atom to form distorted OLi4B trigonal bipyramids that share corners with two equivalent O(1)Li2NiB tetrahedra, corners with three equivalent O(5)Li2NiB tetrahedra,  a cornercorner with one O(4)Li2NiB trigonal pyramid,  a cornercorner with one O(6)Li2NiB trigonal pyramid,  an edgeedge with one O(3)Li4B trigonal bipyramid,  an edgeedge with one O(4)Li2NiB trigonal pyramid, and  an edgeedge with one O(6)Li2NiB trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Ni(1), and one B(2) atom to form distorted OLi2NiB trigonal pyramids that share  a cornercorner with one O(5)Li2NiB tetrahedra, corners with three equivalent O(1)Li2NiB tetrahedra,  a cornercorner with one O(3)Li4B trigonal bipyramid, corners with two equivalent O(6)Li2NiB trigonal pyramids,  an edgeedge with one O(5)Li2NiB tetrahedra, and  an edgeedge with one O(3)Li4B trigonal bipyramid. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Ni(1), and one B(2) atom to form distorted OLi2NiB tetrahedra that share corners with three equivalent O(1)Li2NiB tetrahedra, corners with three equivalent O(3)Li4B trigonal bipyramids,  a cornercorner with one O(4)Li2NiB trigonal pyramid,  an edgeedge with one O(4)Li2NiB trigonal pyramid, and  an edgeedge with one O(6)Li2NiB trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Ni(1), and one B(1) atom to form distorted OLi2NiB trigonal pyramids that share corners with three equivalent O(1)Li2NiB tetrahedra,  a cornercorner with one O(3)Li4B trigonal bipyramid, corners with two equivalent O(4)Li2NiB trigonal pyramids,  an edgeedge with one O(5)Li2NiB tetrahedra, and  an edgeedge with one O(3)Li4B trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Ni(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.829
_cell_length_b   5.244
_cell_length_c   10.496
_cell_angle_alpha   62.403
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   430.629
_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  0.979  0.504  0.341  1.0
  Li  Li1  1  0.660  0.456  0.377  1.0
  Li  Li2  1  0.991  0.933  0.890  1.0
  Li  Li3  1  0.160  0.544  0.123  1.0
  Li  Li4  1  0.491  0.067  0.610  1.0
  Li  Li5  1  0.479  0.496  0.159  1.0
  Li  Li6  1  0.521  0.504  0.841  1.0
  Li  Li7  1  0.509  0.933  0.390  1.0
  Li  Li8  1  0.840  0.456  0.877  1.0
  Li  Li9  1  0.009  0.067  0.110  1.0
  Li  Li10  1  0.340  0.544  0.623  1.0
  Li  Li11  1  0.021  0.496  0.659  1.0
  Ni  Ni12  1  0.311  0.982  0.875  1.0
  Ni  Ni13  1  0.811  0.018  0.625  1.0
  Ni  Ni14  1  0.189  0.982  0.375  1.0
  Ni  Ni15  1  0.689  0.018  0.125  1.0
  B  B16  1  0.319  0.446  0.380  1.0
  B  B17  1  0.657  0.967  0.869  1.0
  B  B18  1  0.819  0.554  0.120  1.0
  B  B19  1  0.157  0.033  0.631  1.0
  B  B20  1  0.843  0.967  0.369  1.0
  B  B21  1  0.181  0.446  0.880  1.0
  B  B22  1  0.343  0.033  0.131  1.0
  B  B23  1  0.681  0.554  0.620  1.0
  O  O24  1  0.326  0.831  0.079  1.0
  O  O25  1  0.673  0.321  0.593  1.0
  O  O26  1  0.948  0.700  0.116  1.0
  O  O27  1  0.022  0.139  0.645  1.0
  O  O28  1  0.290  0.123  0.673  1.0
  O  O29  1  0.678  0.632  0.151  1.0
  O  O30  1  0.178  0.368  0.349  1.0
  O  O31  1  0.790  0.877  0.827  1.0
  O  O32  1  0.522  0.861  0.855  1.0
  O  O33  1  0.448  0.300  0.384  1.0
  O  O34  1  0.826  0.169  0.421  1.0
  O  O35  1  0.173  0.679  0.907  1.0
  O  O36  1  0.827  0.321  0.093  1.0
  O  O37  1  0.174  0.831  0.579  1.0
  O  O38  1  0.552  0.700  0.616  1.0
  O  O39  1  0.478  0.139  0.145  1.0
  O  O40  1  0.210  0.123  0.173  1.0
  O  O41  1  0.822  0.632  0.651  1.0
  O  O42  1  0.322  0.368  0.849  1.0
  O  O43  1  0.710  0.877  0.327  1.0
  O  O44  1  0.978  0.861  0.355  1.0
  O  O45  1  0.052  0.300  0.884  1.0
  O  O46  1  0.327  0.679  0.407  1.0
  O  O47  1  0.674  0.169  0.921  1.0
[/CIF]
.
The structure described by Li3Ni(BO3)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(3)O5 trigonal bipyramid, corners with three equivalent Ni(1)O5 trigonal bipyramids,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O5 trigonal bipyramid, and edges with two equivalent Ni(1)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Ni(1)O5 trigonal bipyramid, corners with two equivalent Li(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. Ni(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form NiO5 trigonal bipyramids that share corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, and edges with two equivalent Li(2)O5 trigonal bipyramids. 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(6) 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(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Ni(1), and one B(2) atom to form distorted OLi2NiB tetrahedra that share corners with three equivalent O(5)Li2NiB tetrahedra, corners with two equivalent O(3)Li4B trigonal bipyramids, corners with three equivalent O(4)Li2NiB trigonal pyramids, and corners with three equivalent O(6)Li2NiB trigonal pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Ni(1), and one B(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), two equivalent Li(3), and one B(1) atom to form distorted OLi4B trigonal bipyramids that share corners with two equivalent O(1)Li2NiB tetrahedra, corners with three equivalent O(5)Li2NiB tetrahedra,  a cornercorner with one O(4)Li2NiB trigonal pyramid,  a cornercorner with one O(6)Li2NiB trigonal pyramid,  an edgeedge with one O(3)Li4B trigonal bipyramid,  an edgeedge with one O(4)Li2NiB trigonal pyramid, and  an edgeedge with one O(6)Li2NiB trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Ni(1), and one B(2) atom to form distorted OLi2NiB trigonal pyramids that share  a cornercorner with one O(5)Li2NiB tetrahedra, corners with three equivalent O(1)Li2NiB tetrahedra,  a cornercorner with one O(3)Li4B trigonal bipyramid, corners with two equivalent O(6)Li2NiB trigonal pyramids,  an edgeedge with one O(5)Li2NiB tetrahedra, and  an edgeedge with one O(3)Li4B trigonal bipyramid. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Ni(1), and one B(2) atom to form distorted OLi2NiB tetrahedra that share corners with three equivalent O(1)Li2NiB tetrahedra, corners with three equivalent O(3)Li4B trigonal bipyramids,  a cornercorner with one O(4)Li2NiB trigonal pyramid,  an edgeedge with one O(4)Li2NiB trigonal pyramid, and  an edgeedge with one O(6)Li2NiB trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Ni(1), and one B(1) atom to form distorted OLi2NiB trigonal pyramids that share corners with three equivalent O(1)Li2NiB tetrahedra,  a cornercorner with one O(3)Li4B trigonal bipyramid, corners with two equivalent O(4)Li2NiB trigonal pyramids,  an edgeedge with one O(5)Li2NiB tetrahedra, and  an edgeedge with one O(3)Li4B trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Ni(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.829
_cell_length_b   5.244
_cell_length_c   10.496
_cell_angle_alpha   62.403
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   430.629
_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  0.979  0.504  0.341  1.0
  Li  Li1  1  0.660  0.456  0.377  1.0
  Li  Li2  1  0.991  0.933  0.890  1.0
  Li  Li3  1  0.160  0.544  0.123  1.0
  Li  Li4  1  0.491  0.067  0.610  1.0
  Li  Li5  1  0.479  0.496  0.159  1.0
  Li  Li6  1  0.521  0.504  0.841  1.0
  Li  Li7  1  0.509  0.933  0.390  1.0
  Li  Li8  1  0.840  0.456  0.877  1.0
  Li  Li9  1  0.009  0.067  0.110  1.0
  Li  Li10  1  0.340  0.544  0.623  1.0
  Li  Li11  1  0.021  0.496  0.659  1.0
  Ni  Ni12  1  0.311  0.982  0.875  1.0
  Ni  Ni13  1  0.811  0.018  0.625  1.0
  Ni  Ni14  1  0.189  0.982  0.375  1.0
  Ni  Ni15  1  0.689  0.018  0.125  1.0
  B  B16  1  0.319  0.446  0.380  1.0
  B  B17  1  0.657  0.967  0.869  1.0
  B  B18  1  0.819  0.554  0.120  1.0
  B  B19  1  0.157  0.033  0.631  1.0
  B  B20  1  0.843  0.967  0.369  1.0
  B  B21  1  0.181  0.446  0.880  1.0
  B  B22  1  0.343  0.033  0.131  1.0
  B  B23  1  0.681  0.554  0.620  1.0
  O  O24  1  0.326  0.831  0.079  1.0
  O  O25  1  0.673  0.321  0.593  1.0
  O  O26  1  0.948  0.700  0.116  1.0
  O  O27  1  0.022  0.139  0.645  1.0
  O  O28  1  0.290  0.123  0.673  1.0
  O  O29  1  0.678  0.632  0.151  1.0
  O  O30  1  0.178  0.368  0.349  1.0
  O  O31  1  0.790  0.877  0.827  1.0
  O  O32  1  0.522  0.861  0.855  1.0
  O  O33  1  0.448  0.300  0.384  1.0
  O  O34  1  0.826  0.169  0.421  1.0
  O  O35  1  0.173  0.679  0.907  1.0
  O  O36  1  0.827  0.321  0.093  1.0
  O  O37  1  0.174  0.831  0.579  1.0
  O  O38  1  0.552  0.700  0.616  1.0
  O  O39  1  0.478  0.139  0.145  1.0
  O  O40  1  0.210  0.123  0.173  1.0
  O  O41  1  0.822  0.632  0.651  1.0
  O  O42  1  0.322  0.368  0.849  1.0
  O  O43  1  0.710  0.877  0.327  1.0
  O  O44  1  0.978  0.861  0.355  1.0
  O  O45  1  0.052  0.300  0.884  1.0
  O  O46  1  0.327  0.679  0.407  1.0
  O  O47  1  0.674  0.169  0.921  1.0
[/CIF]
.