The compound described by Li3Cr(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 in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, edges with two equivalent Cr(1)O6 octahedra, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 14°. In the third Li site, Li(3) is bonded to one O(3), one O(5), one O(6), and two equivalent O(2) atoms to form LiO5 trigonal bipyramids that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, edges with two equivalent Cr(1)O6 octahedra,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 72°. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(3)O5 trigonal bipyramid, edges with two equivalent Li(2)O5 trigonal bipyramids, and edges with two equivalent Li(3)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(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Cr(1), and one B(2) atom to form distorted corner-sharing OLi2CrB tetrahedra. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), two equivalent Li(3), one Cr(1), and one B(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Cr(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(1), and one B(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Cr(1), and one B(2) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Cr(1), and one B(2) atom to form distorted corner-sharing OLi2CrB trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Cr(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.706
_cell_length_b   5.263
_cell_length_c   10.771
_cell_angle_alpha   63.556
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   441.864
_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  0.958  0.523  0.853  1.0
  Li  Li1  1  0.652  0.441  0.876  1.0
  Li  Li2  1  0.152  0.559  0.624  1.0
  Li  Li3  1  0.969  0.923  0.387  1.0
  Li  Li4  1  0.458  0.477  0.647  1.0
  Li  Li5  1  0.469  0.077  0.113  1.0
  Li  Li6  1  0.531  0.923  0.887  1.0
  Li  Li7  1  0.542  0.523  0.353  1.0
  Li  Li8  1  0.031  0.077  0.613  1.0
  Li  Li9  1  0.848  0.441  0.376  1.0
  Li  Li10  1  0.348  0.559  0.124  1.0
  Li  Li11  1  0.042  0.477  0.147  1.0
  Cr  Cr12  1  0.290  0.014  0.376  1.0
  Cr  Cr13  1  0.210  0.014  0.876  1.0
  Cr  Cr14  1  0.790  0.986  0.124  1.0
  Cr  Cr15  1  0.710  0.986  0.624  1.0
  B  B16  1  0.305  0.451  0.882  1.0
  B  B17  1  0.643  0.970  0.365  1.0
  B  B18  1  0.805  0.549  0.618  1.0
  B  B19  1  0.143  0.030  0.135  1.0
  B  B20  1  0.857  0.970  0.865  1.0
  B  B21  1  0.195  0.451  0.382  1.0
  B  B22  1  0.357  0.030  0.635  1.0
  B  B23  1  0.695  0.549  0.118  1.0
  O  O24  1  0.325  0.834  0.585  1.0
  O  O25  1  0.911  0.758  0.607  1.0
  O  O26  1  0.656  0.327  0.090  1.0
  O  O27  1  0.659  0.592  0.657  1.0
  O  O28  1  0.262  0.167  0.168  1.0
  O  O29  1  0.159  0.408  0.843  1.0
  O  O30  1  0.997  0.108  0.153  1.0
  O  O31  1  0.497  0.892  0.347  1.0
  O  O32  1  0.411  0.242  0.893  1.0
  O  O33  1  0.762  0.833  0.332  1.0
  O  O34  1  0.825  0.166  0.915  1.0
  O  O35  1  0.156  0.673  0.410  1.0
  O  O36  1  0.844  0.327  0.590  1.0
  O  O37  1  0.175  0.834  0.085  1.0
  O  O38  1  0.238  0.167  0.668  1.0
  O  O39  1  0.589  0.758  0.107  1.0
  O  O40  1  0.503  0.108  0.653  1.0
  O  O41  1  0.003  0.892  0.847  1.0
  O  O42  1  0.841  0.592  0.157  1.0
  O  O43  1  0.738  0.833  0.832  1.0
  O  O44  1  0.341  0.408  0.343  1.0
  O  O45  1  0.344  0.673  0.910  1.0
  O  O46  1  0.089  0.242  0.393  1.0
  O  O47  1  0.675  0.166  0.415  1.0
[/CIF]
.
The compound described by Li3Cr(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 in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, edges with two equivalent Cr(1)O6 octahedra, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 14°. In the third Li site, Li(3) is bonded to one O(3), one O(5), one O(6), and two equivalent O(2) atoms to form LiO5 trigonal bipyramids that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, edges with two equivalent Cr(1)O6 octahedra,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 72°. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(3)O5 trigonal bipyramid, edges with two equivalent Li(2)O5 trigonal bipyramids, and edges with two equivalent Li(3)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(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Cr(1), and one B(2) atom to form distorted corner-sharing OLi2CrB tetrahedra. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), two equivalent Li(3), one Cr(1), and one B(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Cr(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(1), and one B(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Cr(1), and one B(2) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Cr(1), and one B(2) atom to form distorted corner-sharing OLi2CrB trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Cr(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.706
_cell_length_b   5.263
_cell_length_c   10.771
_cell_angle_alpha   63.556
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   441.864
_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  0.958  0.523  0.853  1.0
  Li  Li1  1  0.652  0.441  0.876  1.0
  Li  Li2  1  0.152  0.559  0.624  1.0
  Li  Li3  1  0.969  0.923  0.387  1.0
  Li  Li4  1  0.458  0.477  0.647  1.0
  Li  Li5  1  0.469  0.077  0.113  1.0
  Li  Li6  1  0.531  0.923  0.887  1.0
  Li  Li7  1  0.542  0.523  0.353  1.0
  Li  Li8  1  0.031  0.077  0.613  1.0
  Li  Li9  1  0.848  0.441  0.376  1.0
  Li  Li10  1  0.348  0.559  0.124  1.0
  Li  Li11  1  0.042  0.477  0.147  1.0
  Cr  Cr12  1  0.290  0.014  0.376  1.0
  Cr  Cr13  1  0.210  0.014  0.876  1.0
  Cr  Cr14  1  0.790  0.986  0.124  1.0
  Cr  Cr15  1  0.710  0.986  0.624  1.0
  B  B16  1  0.305  0.451  0.882  1.0
  B  B17  1  0.643  0.970  0.365  1.0
  B  B18  1  0.805  0.549  0.618  1.0
  B  B19  1  0.143  0.030  0.135  1.0
  B  B20  1  0.857  0.970  0.865  1.0
  B  B21  1  0.195  0.451  0.382  1.0
  B  B22  1  0.357  0.030  0.635  1.0
  B  B23  1  0.695  0.549  0.118  1.0
  O  O24  1  0.325  0.834  0.585  1.0
  O  O25  1  0.911  0.758  0.607  1.0
  O  O26  1  0.656  0.327  0.090  1.0
  O  O27  1  0.659  0.592  0.657  1.0
  O  O28  1  0.262  0.167  0.168  1.0
  O  O29  1  0.159  0.408  0.843  1.0
  O  O30  1  0.997  0.108  0.153  1.0
  O  O31  1  0.497  0.892  0.347  1.0
  O  O32  1  0.411  0.242  0.893  1.0
  O  O33  1  0.762  0.833  0.332  1.0
  O  O34  1  0.825  0.166  0.915  1.0
  O  O35  1  0.156  0.673  0.410  1.0
  O  O36  1  0.844  0.327  0.590  1.0
  O  O37  1  0.175  0.834  0.085  1.0
  O  O38  1  0.238  0.167  0.668  1.0
  O  O39  1  0.589  0.758  0.107  1.0
  O  O40  1  0.503  0.108  0.653  1.0
  O  O41  1  0.003  0.892  0.847  1.0
  O  O42  1  0.841  0.592  0.157  1.0
  O  O43  1  0.738  0.833  0.832  1.0
  O  O44  1  0.341  0.408  0.343  1.0
  O  O45  1  0.344  0.673  0.910  1.0
  O  O46  1  0.089  0.242  0.393  1.0
  O  O47  1  0.675  0.166  0.415  1.0
[/CIF]
.