The structure described by Li3B(PO4)2 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 4-coordinate geometry to one O(2), one O(3), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(3), one O(4), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(8), and two equivalent O(4) atoms. B(1) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form BO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra and corners with two equivalent B(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra and corners with three equivalent Li(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one B(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one B(1), and one P(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), and one P(2) atom to form a mixture of distorted edge and corner-sharing OLi3P tetrahedra. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Li(3), and one P(1) atom to form a mixture of distorted edge and corner-sharing OLi3P tetrahedra. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one B(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Li(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one B(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3B(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.250
_cell_length_b   7.500
_cell_length_c   7.832
_cell_angle_alpha   101.162
_cell_angle_beta   105.726
_cell_angle_gamma   90.073
_symmetry_Int_Tables_number   1
_cell_volume   290.739
_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  0.221  0.869  0.691  1.0
  Li  Li1  1  0.779  0.131  0.309  1.0
  Li  Li2  1  0.328  0.516  0.854  1.0
  Li  Li3  1  0.672  0.484  0.146  1.0
  Li  Li4  1  0.859  0.474  0.611  1.0
  Li  Li5  1  0.141  0.526  0.389  1.0
  B  B6  1  0.742  0.038  0.768  1.0
  B  B7  1  0.258  0.962  0.232  1.0
  P  P8  1  0.627  0.785  0.452  1.0
  P  P9  1  0.373  0.215  0.548  1.0
  P  P10  1  0.882  0.749  0.944  1.0
  P  P11  1  0.118  0.251  0.056  1.0
  O  O12  1  0.945  0.185  0.854  1.0
  O  O13  1  0.055  0.815  0.146  1.0
  O  O14  1  0.527  0.888  0.288  1.0
  O  O15  1  0.473  0.112  0.712  1.0
  O  O16  1  0.057  0.693  0.816  1.0
  O  O17  1  0.943  0.307  0.184  1.0
  O  O18  1  0.796  0.631  0.399  1.0
  O  O19  1  0.204  0.369  0.601  1.0
  O  O20  1  0.716  0.917  0.891  1.0
  O  O21  1  0.284  0.083  0.109  1.0
  O  O22  1  0.693  0.597  0.943  1.0
  O  O23  1  0.307  0.403  0.057  1.0
  O  O24  1  0.819  0.936  0.607  1.0
  O  O25  1  0.181  0.064  0.393  1.0
  O  O26  1  0.399  0.725  0.516  1.0
  O  O27  1  0.601  0.275  0.484  1.0
[/CIF]
.
The structure described by Li3B(PO4)2 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 4-coordinate geometry to one O(2), one O(3), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(3), one O(4), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(8), and two equivalent O(4) atoms. B(1) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form BO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra and corners with two equivalent B(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra and corners with three equivalent Li(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one B(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one B(1), and one P(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), and one P(2) atom to form a mixture of distorted edge and corner-sharing OLi3P tetrahedra. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Li(3), and one P(1) atom to form a mixture of distorted edge and corner-sharing OLi3P tetrahedra. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one B(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Li(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one B(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3B(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.250
_cell_length_b   7.500
_cell_length_c   7.832
_cell_angle_alpha   101.162
_cell_angle_beta   105.726
_cell_angle_gamma   90.073
_symmetry_Int_Tables_number   1
_cell_volume   290.739
_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  0.221  0.869  0.691  1.0
  Li  Li1  1  0.779  0.131  0.309  1.0
  Li  Li2  1  0.328  0.516  0.854  1.0
  Li  Li3  1  0.672  0.484  0.146  1.0
  Li  Li4  1  0.859  0.474  0.611  1.0
  Li  Li5  1  0.141  0.526  0.389  1.0
  B  B6  1  0.742  0.038  0.768  1.0
  B  B7  1  0.258  0.962  0.232  1.0
  P  P8  1  0.627  0.785  0.452  1.0
  P  P9  1  0.373  0.215  0.548  1.0
  P  P10  1  0.882  0.749  0.944  1.0
  P  P11  1  0.118  0.251  0.056  1.0
  O  O12  1  0.945  0.185  0.854  1.0
  O  O13  1  0.055  0.815  0.146  1.0
  O  O14  1  0.527  0.888  0.288  1.0
  O  O15  1  0.473  0.112  0.712  1.0
  O  O16  1  0.057  0.693  0.816  1.0
  O  O17  1  0.943  0.307  0.184  1.0
  O  O18  1  0.796  0.631  0.399  1.0
  O  O19  1  0.204  0.369  0.601  1.0
  O  O20  1  0.716  0.917  0.891  1.0
  O  O21  1  0.284  0.083  0.109  1.0
  O  O22  1  0.693  0.597  0.943  1.0
  O  O23  1  0.307  0.403  0.057  1.0
  O  O24  1  0.819  0.936  0.607  1.0
  O  O25  1  0.181  0.064  0.393  1.0
  O  O26  1  0.399  0.725  0.516  1.0
  O  O27  1  0.601  0.275  0.484  1.0
[/CIF]
.