The crystal structure described by Li3B7O12 crystallizes in the triclinic P-1 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(10), one O(11), one O(3), one O(4), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(2), one O(5), one O(6), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one B(3)O4 tetrahedra,  a cornercorner with one B(4)O4 tetrahedra, and  an edgeedge with one B(6)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(4), one O(7), and one O(9) atom to form LiO4 trigonal pyramids that share  a cornercorner with one B(3)O4 tetrahedra,  a cornercorner with one B(6)O4 tetrahedra, and corners with two equivalent B(4)O4 tetrahedra. There are seven inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(10), one O(4), and one O(8) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(6), and one O(7) atom. In the third B site, B(3) is bonded to one O(10), one O(11), one O(2), and one O(9) atom to form BO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra and  a cornercorner with one Li(3)O4 trigonal pyramid. In the fourth B site, B(4) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form BO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one B(6)O4 tetrahedra, and corners with two equivalent Li(3)O4 trigonal pyramids. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(12), one O(5), and one O(9) atom. In the sixth B site, B(6) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form BO4 tetrahedra that share  a cornercorner with one B(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, and  an edgeedge with one Li(2)O4 tetrahedra. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(1), one O(11), and one O(12) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(3), one B(4), and one B(7) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one B(2), and one B(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one B(4), and one B(6) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one B(1), and one B(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(2), one B(4), and one B(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one B(2), and one B(6) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(3), one B(2), and one B(4) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one B(1), and one B(6) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(3), one B(3), and one B(5) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one B(1), and one B(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one B(3), and one B(7) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one B(5) and one B(7) atom. is represented by the CIF card [CIF]
data_Li3B7O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.490
_cell_length_b   7.815
_cell_length_c   8.511
_cell_angle_alpha   92.077
_cell_angle_beta   104.946
_cell_angle_gamma   99.488
_symmetry_Int_Tables_number   1
_cell_volume   409.987
_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  0.782  0.201  0.970  1.0
  Li  Li1  1  0.218  0.799  0.030  1.0
  Li  Li2  1  0.488  0.925  0.693  1.0
  Li  Li3  1  0.512  0.075  0.307  1.0
  Li  Li4  1  0.018  0.306  0.687  1.0
  Li  Li5  1  0.982  0.694  0.313  1.0
  B  B6  1  0.749  0.867  0.035  1.0
  B  B7  1  0.251  0.133  0.965  1.0
  B  B8  1  0.786  0.865  0.505  1.0
  B  B9  1  0.214  0.135  0.495  1.0
  B  B10  1  0.444  0.276  0.777  1.0
  B  B11  1  0.556  0.724  0.223  1.0
  B  B12  1  0.045  0.711  0.685  1.0
  B  B13  1  0.955  0.289  0.315  1.0
  B  B14  1  0.387  0.575  0.711  1.0
  B  B15  1  0.613  0.425  0.289  1.0
  B  B16  1  0.907  0.966  0.798  1.0
  B  B17  1  0.093  0.034  0.202  1.0
  B  B18  1  0.735  0.497  0.726  1.0
  B  B19  1  0.265  0.503  0.274  1.0
  O  O20  1  0.063  0.467  0.295  1.0
  O  O21  1  0.937  0.533  0.705  1.0
  O  O22  1  0.639  0.865  0.356  1.0
  O  O23  1  0.361  0.135  0.644  1.0
  O  O24  1  0.037  0.831  0.817  1.0
  O  O25  1  0.963  0.169  0.183  1.0
  O  O26  1  0.052  0.139  0.856  1.0
  O  O27  1  0.948  0.861  0.144  1.0
  O  O28  1  0.273  0.707  0.689  1.0
  O  O29  1  0.727  0.293  0.311  1.0
  O  O30  1  0.775  0.974  0.631  1.0
  O  O31  1  0.225  0.026  0.369  1.0
  O  O32  1  0.942  0.764  0.524  1.0
  O  O33  1  0.058  0.236  0.476  1.0
  O  O34  1  0.738  0.945  0.892  1.0
  O  O35  1  0.262  0.055  0.108  1.0
  O  O36  1  0.318  0.416  0.757  1.0
  O  O37  1  0.682  0.584  0.243  1.0
  O  O38  1  0.442  0.200  0.932  1.0
  O  O39  1  0.558  0.800  0.068  1.0
  O  O40  1  0.674  0.342  0.788  1.0
  O  O41  1  0.326  0.658  0.212  1.0
  O  O42  1  0.592  0.611  0.684  1.0
  O  O43  1  0.408  0.389  0.316  1.0
[/CIF]
.
The crystal structure described by Li3B7O12 crystallizes in the triclinic P-1 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(10), one O(11), one O(3), one O(4), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(2), one O(5), one O(6), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one B(3)O4 tetrahedra,  a cornercorner with one B(4)O4 tetrahedra, and  an edgeedge with one B(6)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(4), one O(7), and one O(9) atom to form LiO4 trigonal pyramids that share  a cornercorner with one B(3)O4 tetrahedra,  a cornercorner with one B(6)O4 tetrahedra, and corners with two equivalent B(4)O4 tetrahedra. There are seven inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(10), one O(4), and one O(8) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(6), and one O(7) atom. In the third B site, B(3) is bonded to one O(10), one O(11), one O(2), and one O(9) atom to form BO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra and  a cornercorner with one Li(3)O4 trigonal pyramid. In the fourth B site, B(4) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form BO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one B(6)O4 tetrahedra, and corners with two equivalent Li(3)O4 trigonal pyramids. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(12), one O(5), and one O(9) atom. In the sixth B site, B(6) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form BO4 tetrahedra that share  a cornercorner with one B(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, and  an edgeedge with one Li(2)O4 tetrahedra. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(1), one O(11), and one O(12) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(3), one B(4), and one B(7) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one B(2), and one B(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one B(4), and one B(6) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one B(1), and one B(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(2), one B(4), and one B(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one B(2), and one B(6) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(3), one B(2), and one B(4) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one B(1), and one B(6) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(3), one B(3), and one B(5) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one B(1), and one B(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one B(3), and one B(7) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one B(5) and one B(7) atom. is represented by the CIF card [CIF]
data_Li3B7O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.490
_cell_length_b   7.815
_cell_length_c   8.511
_cell_angle_alpha   92.077
_cell_angle_beta   104.946
_cell_angle_gamma   99.488
_symmetry_Int_Tables_number   1
_cell_volume   409.987
_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  0.782  0.201  0.970  1.0
  Li  Li1  1  0.218  0.799  0.030  1.0
  Li  Li2  1  0.488  0.925  0.693  1.0
  Li  Li3  1  0.512  0.075  0.307  1.0
  Li  Li4  1  0.018  0.306  0.687  1.0
  Li  Li5  1  0.982  0.694  0.313  1.0
  B  B6  1  0.749  0.867  0.035  1.0
  B  B7  1  0.251  0.133  0.965  1.0
  B  B8  1  0.786  0.865  0.505  1.0
  B  B9  1  0.214  0.135  0.495  1.0
  B  B10  1  0.444  0.276  0.777  1.0
  B  B11  1  0.556  0.724  0.223  1.0
  B  B12  1  0.045  0.711  0.685  1.0
  B  B13  1  0.955  0.289  0.315  1.0
  B  B14  1  0.387  0.575  0.711  1.0
  B  B15  1  0.613  0.425  0.289  1.0
  B  B16  1  0.907  0.966  0.798  1.0
  B  B17  1  0.093  0.034  0.202  1.0
  B  B18  1  0.735  0.497  0.726  1.0
  B  B19  1  0.265  0.503  0.274  1.0
  O  O20  1  0.063  0.467  0.295  1.0
  O  O21  1  0.937  0.533  0.705  1.0
  O  O22  1  0.639  0.865  0.356  1.0
  O  O23  1  0.361  0.135  0.644  1.0
  O  O24  1  0.037  0.831  0.817  1.0
  O  O25  1  0.963  0.169  0.183  1.0
  O  O26  1  0.052  0.139  0.856  1.0
  O  O27  1  0.948  0.861  0.144  1.0
  O  O28  1  0.273  0.707  0.689  1.0
  O  O29  1  0.727  0.293  0.311  1.0
  O  O30  1  0.775  0.974  0.631  1.0
  O  O31  1  0.225  0.026  0.369  1.0
  O  O32  1  0.942  0.764  0.524  1.0
  O  O33  1  0.058  0.236  0.476  1.0
  O  O34  1  0.738  0.945  0.892  1.0
  O  O35  1  0.262  0.055  0.108  1.0
  O  O36  1  0.318  0.416  0.757  1.0
  O  O37  1  0.682  0.584  0.243  1.0
  O  O38  1  0.442  0.200  0.932  1.0
  O  O39  1  0.558  0.800  0.068  1.0
  O  O40  1  0.674  0.342  0.788  1.0
  O  O41  1  0.326  0.658  0.212  1.0
  O  O42  1  0.592  0.611  0.684  1.0
  O  O43  1  0.408  0.389  0.316  1.0
[/CIF]
.