The material structure described by Li3Sb(PO4)2 crystallizes in the trigonal P-3 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(1), one O(4), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. In the third Li site, Li(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(1) atoms. In the second Sb site, Sb(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form distorted SbO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Sb(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(3), two equivalent Li(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Sb(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(1), one Sb(2), and one P(1) atom. is represented by the CIF card [CIF]
data_Li3Sb(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.747
_cell_length_b   8.747
_cell_length_c   7.230
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   479.030
_cell_formula_units_Z   3
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  0.365  0.052  0.158  1.0
  Li  Li1  1  0.948  0.313  0.158  1.0
  Li  Li2  1  0.000  0.000  0.000  1.0
  Li  Li3  1  0.333  0.667  0.024  1.0
  Li  Li4  1  0.313  0.365  0.842  1.0
  Li  Li5  1  0.687  0.635  0.158  1.0
  Li  Li6  1  0.667  0.333  0.976  1.0
  Li  Li7  1  0.052  0.687  0.842  1.0
  Li  Li8  1  0.635  0.948  0.842  1.0
  Sb  Sb9  1  0.000  0.000  0.500  1.0
  Sb  Sb10  1  0.333  0.667  0.545  1.0
  Sb  Sb11  1  0.667  0.333  0.455  1.0
  P  P12  1  0.025  0.689  0.257  1.0
  P  P13  1  0.311  0.336  0.257  1.0
  P  P14  1  0.664  0.975  0.257  1.0
  P  P15  1  0.336  0.025  0.743  1.0
  P  P16  1  0.689  0.664  0.743  1.0
  P  P17  1  0.975  0.311  0.743  1.0
  O  O18  1  0.132  0.929  0.767  1.0
  O  O19  1  0.156  0.730  0.097  1.0
  O  O20  1  0.119  0.735  0.447  1.0
  O  O21  1  0.394  0.878  0.755  1.0
  O  O22  1  0.122  0.515  0.755  1.0
  O  O23  1  0.071  0.203  0.767  1.0
  O  O24  1  0.616  0.881  0.447  1.0
  O  O25  1  0.203  0.132  0.233  1.0
  O  O26  1  0.265  0.384  0.447  1.0
  O  O27  1  0.270  0.426  0.097  1.0
  O  O28  1  0.574  0.844  0.097  1.0
  O  O29  1  0.485  0.606  0.755  1.0
  O  O30  1  0.515  0.394  0.245  1.0
  O  O31  1  0.426  0.156  0.903  1.0
  O  O32  1  0.730  0.574  0.903  1.0
  O  O33  1  0.735  0.616  0.553  1.0
  O  O34  1  0.797  0.868  0.767  1.0
  O  O35  1  0.384  0.119  0.553  1.0
  O  O36  1  0.929  0.797  0.233  1.0
  O  O37  1  0.878  0.485  0.245  1.0
  O  O38  1  0.606  0.122  0.245  1.0
  O  O39  1  0.881  0.265  0.553  1.0
  O  O40  1  0.844  0.270  0.903  1.0
  O  O41  1  0.868  0.071  0.233  1.0
[/CIF]
.
The material structure described by Li3Sb(PO4)2 crystallizes in the trigonal P-3 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(1), one O(4), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. In the third Li site, Li(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(1) atoms. In the second Sb site, Sb(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form distorted SbO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Sb(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(3), two equivalent Li(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Sb(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(1), one Sb(2), and one P(1) atom. is represented by the CIF card [CIF]
data_Li3Sb(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.747
_cell_length_b   8.747
_cell_length_c   7.230
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   479.030
_cell_formula_units_Z   3
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  0.365  0.052  0.158  1.0
  Li  Li1  1  0.948  0.313  0.158  1.0
  Li  Li2  1  0.000  0.000  0.000  1.0
  Li  Li3  1  0.333  0.667  0.024  1.0
  Li  Li4  1  0.313  0.365  0.842  1.0
  Li  Li5  1  0.687  0.635  0.158  1.0
  Li  Li6  1  0.667  0.333  0.976  1.0
  Li  Li7  1  0.052  0.687  0.842  1.0
  Li  Li8  1  0.635  0.948  0.842  1.0
  Sb  Sb9  1  0.000  0.000  0.500  1.0
  Sb  Sb10  1  0.333  0.667  0.545  1.0
  Sb  Sb11  1  0.667  0.333  0.455  1.0
  P  P12  1  0.025  0.689  0.257  1.0
  P  P13  1  0.311  0.336  0.257  1.0
  P  P14  1  0.664  0.975  0.257  1.0
  P  P15  1  0.336  0.025  0.743  1.0
  P  P16  1  0.689  0.664  0.743  1.0
  P  P17  1  0.975  0.311  0.743  1.0
  O  O18  1  0.132  0.929  0.767  1.0
  O  O19  1  0.156  0.730  0.097  1.0
  O  O20  1  0.119  0.735  0.447  1.0
  O  O21  1  0.394  0.878  0.755  1.0
  O  O22  1  0.122  0.515  0.755  1.0
  O  O23  1  0.071  0.203  0.767  1.0
  O  O24  1  0.616  0.881  0.447  1.0
  O  O25  1  0.203  0.132  0.233  1.0
  O  O26  1  0.265  0.384  0.447  1.0
  O  O27  1  0.270  0.426  0.097  1.0
  O  O28  1  0.574  0.844  0.097  1.0
  O  O29  1  0.485  0.606  0.755  1.0
  O  O30  1  0.515  0.394  0.245  1.0
  O  O31  1  0.426  0.156  0.903  1.0
  O  O32  1  0.730  0.574  0.903  1.0
  O  O33  1  0.735  0.616  0.553  1.0
  O  O34  1  0.797  0.868  0.767  1.0
  O  O35  1  0.384  0.119  0.553  1.0
  O  O36  1  0.929  0.797  0.233  1.0
  O  O37  1  0.878  0.485  0.245  1.0
  O  O38  1  0.606  0.122  0.245  1.0
  O  O39  1  0.881  0.265  0.553  1.0
  O  O40  1  0.844  0.270  0.903  1.0
  O  O41  1  0.868  0.071  0.233  1.0
[/CIF]
.