The material structure described by Li3InB2O6 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(2), one O(3), one O(4), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(2)O5 trigonal bipyramid, corners with three equivalent In(1)O5 trigonal bipyramids, corners with two equivalent Li(3)O4 trigonal pyramids, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), 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)O4 trigonal pyramids,  an edgeedge with one Li(1)O4 tetrahedra, edges with two equivalent In(1)O5 trigonal bipyramids, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the third Li site, Li(3) is bonded to one O(1), one O(6), and two equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, corners with two equivalent In(1)O5 trigonal bipyramids,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. In(1) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form InO5 trigonal bipyramids that share corners with three equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 trigonal pyramids, 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(5), 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(3), and one O(4) atom. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one In(1), and one B(1) atom. In the second O site, O(1) is bonded to one Li(2), one Li(3), one In(1), and one B(2) atom to form distorted corner-sharing OLi2InB tetrahedra. In the third O site, O(2) 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 three equivalent O(1)Li2InB tetrahedra and  an edgeedge with one O(2)Li4B trigonal bipyramid. In the fourth O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one In(1), and one B(2) atom. In the fifth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one In(1), and one B(2) atom. In the sixth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one In(1), and one B(1) atom. is represented by the CIF file [CIF]
data_Li3In(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.047
_cell_length_b   5.253
_cell_length_c   11.469
_cell_angle_alpha   63.870
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   489.383
_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  0.525  0.515  0.827  1.0
  Li  Li1  1  0.843  0.449  0.882  1.0
  Li  Li2  1  0.475  0.485  0.173  1.0
  Li  Li3  1  0.025  0.485  0.673  1.0
  Li  Li4  1  0.486  0.078  0.596  1.0
  Li  Li5  1  0.157  0.551  0.118  1.0
  Li  Li6  1  0.986  0.922  0.904  1.0
  Li  Li7  1  0.657  0.449  0.382  1.0
  Li  Li8  1  0.975  0.515  0.327  1.0
  Li  Li9  1  0.514  0.922  0.404  1.0
  Li  Li10  1  0.014  0.078  0.096  1.0
  Li  Li11  1  0.343  0.551  0.618  1.0
  In  In12  1  0.172  0.973  0.377  1.0
  In  In13  1  0.328  0.973  0.877  1.0
  In  In14  1  0.828  0.027  0.623  1.0
  In  In15  1  0.672  0.027  0.123  1.0
  B  B16  1  0.673  0.544  0.619  1.0
  B  B17  1  0.331  0.035  0.131  1.0
  B  B18  1  0.669  0.965  0.869  1.0
  B  B19  1  0.827  0.544  0.119  1.0
  B  B20  1  0.831  0.965  0.369  1.0
  B  B21  1  0.327  0.456  0.381  1.0
  B  B22  1  0.173  0.456  0.881  1.0
  B  B23  1  0.169  0.035  0.631  1.0
  O  O24  1  0.800  0.870  0.836  1.0
  O  O25  1  0.052  0.296  0.881  1.0
  O  O26  1  0.039  0.161  0.641  1.0
  O  O27  1  0.670  0.181  0.909  1.0
  O  O28  1  0.830  0.181  0.409  1.0
  O  O29  1  0.815  0.601  0.651  1.0
  O  O30  1  0.300  0.130  0.664  1.0
  O  O31  1  0.700  0.870  0.336  1.0
  O  O32  1  0.961  0.839  0.359  1.0
  O  O33  1  0.552  0.704  0.619  1.0
  O  O34  1  0.200  0.130  0.164  1.0
  O  O35  1  0.685  0.601  0.151  1.0
  O  O36  1  0.185  0.399  0.349  1.0
  O  O37  1  0.539  0.839  0.859  1.0
  O  O38  1  0.155  0.682  0.912  1.0
  O  O39  1  0.315  0.399  0.849  1.0
  O  O40  1  0.345  0.682  0.412  1.0
  O  O41  1  0.448  0.296  0.381  1.0
  O  O42  1  0.330  0.819  0.091  1.0
  O  O43  1  0.461  0.161  0.141  1.0
  O  O44  1  0.948  0.704  0.119  1.0
  O  O45  1  0.170  0.819  0.591  1.0
  O  O46  1  0.655  0.318  0.588  1.0
  O  O47  1  0.845  0.318  0.088  1.0
[/CIF]
.
The material structure described by Li3InB2O6 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(2), one O(3), one O(4), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(2)O5 trigonal bipyramid, corners with three equivalent In(1)O5 trigonal bipyramids, corners with two equivalent Li(3)O4 trigonal pyramids, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), 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)O4 trigonal pyramids,  an edgeedge with one Li(1)O4 tetrahedra, edges with two equivalent In(1)O5 trigonal bipyramids, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the third Li site, Li(3) is bonded to one O(1), one O(6), and two equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, corners with two equivalent In(1)O5 trigonal bipyramids,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. In(1) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form InO5 trigonal bipyramids that share corners with three equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 trigonal pyramids, 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(5), 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(3), and one O(4) atom. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one In(1), and one B(1) atom. In the second O site, O(1) is bonded to one Li(2), one Li(3), one In(1), and one B(2) atom to form distorted corner-sharing OLi2InB tetrahedra. In the third O site, O(2) 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 three equivalent O(1)Li2InB tetrahedra and  an edgeedge with one O(2)Li4B trigonal bipyramid. In the fourth O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one In(1), and one B(2) atom. In the fifth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one In(1), and one B(2) atom. In the sixth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one In(1), and one B(1) atom. is represented by the CIF file [CIF]
data_Li3In(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.047
_cell_length_b   5.253
_cell_length_c   11.469
_cell_angle_alpha   63.870
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   489.383
_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  0.525  0.515  0.827  1.0
  Li  Li1  1  0.843  0.449  0.882  1.0
  Li  Li2  1  0.475  0.485  0.173  1.0
  Li  Li3  1  0.025  0.485  0.673  1.0
  Li  Li4  1  0.486  0.078  0.596  1.0
  Li  Li5  1  0.157  0.551  0.118  1.0
  Li  Li6  1  0.986  0.922  0.904  1.0
  Li  Li7  1  0.657  0.449  0.382  1.0
  Li  Li8  1  0.975  0.515  0.327  1.0
  Li  Li9  1  0.514  0.922  0.404  1.0
  Li  Li10  1  0.014  0.078  0.096  1.0
  Li  Li11  1  0.343  0.551  0.618  1.0
  In  In12  1  0.172  0.973  0.377  1.0
  In  In13  1  0.328  0.973  0.877  1.0
  In  In14  1  0.828  0.027  0.623  1.0
  In  In15  1  0.672  0.027  0.123  1.0
  B  B16  1  0.673  0.544  0.619  1.0
  B  B17  1  0.331  0.035  0.131  1.0
  B  B18  1  0.669  0.965  0.869  1.0
  B  B19  1  0.827  0.544  0.119  1.0
  B  B20  1  0.831  0.965  0.369  1.0
  B  B21  1  0.327  0.456  0.381  1.0
  B  B22  1  0.173  0.456  0.881  1.0
  B  B23  1  0.169  0.035  0.631  1.0
  O  O24  1  0.800  0.870  0.836  1.0
  O  O25  1  0.052  0.296  0.881  1.0
  O  O26  1  0.039  0.161  0.641  1.0
  O  O27  1  0.670  0.181  0.909  1.0
  O  O28  1  0.830  0.181  0.409  1.0
  O  O29  1  0.815  0.601  0.651  1.0
  O  O30  1  0.300  0.130  0.664  1.0
  O  O31  1  0.700  0.870  0.336  1.0
  O  O32  1  0.961  0.839  0.359  1.0
  O  O33  1  0.552  0.704  0.619  1.0
  O  O34  1  0.200  0.130  0.164  1.0
  O  O35  1  0.685  0.601  0.151  1.0
  O  O36  1  0.185  0.399  0.349  1.0
  O  O37  1  0.539  0.839  0.859  1.0
  O  O38  1  0.155  0.682  0.912  1.0
  O  O39  1  0.315  0.399  0.849  1.0
  O  O40  1  0.345  0.682  0.412  1.0
  O  O41  1  0.448  0.296  0.381  1.0
  O  O42  1  0.330  0.819  0.091  1.0
  O  O43  1  0.461  0.161  0.141  1.0
  O  O44  1  0.948  0.704  0.119  1.0
  O  O45  1  0.170  0.819  0.591  1.0
  O  O46  1  0.655  0.318  0.588  1.0
  O  O47  1  0.845  0.318  0.088  1.0
[/CIF]
.