The crystal structure described by Li3Sb2(PO4)3 crystallizes in the trigonal R-3 space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 69-70°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form distorted SbO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra and corners with six equivalent P(1)O4 tetrahedra. In the second Sb site, Sb(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form SbO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with six equivalent P(1)O4 tetrahedra, and edges with three equivalent Li(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(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Sb(2), and one P(1) atom to form distorted corner-sharing OLi2SbP tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Sb(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Sb(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(1) atom. is represented by the CIF file [CIF]
data_Li3Sb2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.658
_cell_length_b   9.658
_cell_length_c   9.658
_cell_angle_alpha   54.799
_cell_angle_beta   54.799
_cell_angle_gamma   54.799
_symmetry_Int_Tables_number   1
_cell_volume   559.786
_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  0.670  0.257  0.933  1.0
  Li  Li1  1  0.257  0.933  0.670  1.0
  Li  Li2  1  0.933  0.670  0.257  1.0
  Li  Li3  1  0.067  0.330  0.743  1.0
  Li  Li4  1  0.743  0.067  0.330  1.0
  Li  Li5  1  0.330  0.743  0.067  1.0
  Sb  Sb6  1  0.843  0.843  0.843  1.0
  Sb  Sb7  1  0.157  0.157  0.157  1.0
  Sb  Sb8  1  0.651  0.651  0.651  1.0
  Sb  Sb9  1  0.349  0.349  0.349  1.0
  P  P10  1  0.258  0.552  0.953  1.0
  P  P11  1  0.953  0.258  0.552  1.0
  P  P12  1  0.552  0.953  0.258  1.0
  P  P13  1  0.448  0.047  0.742  1.0
  P  P14  1  0.047  0.742  0.448  1.0
  P  P15  1  0.742  0.448  0.047  1.0
  O  O16  1  0.798  0.423  0.871  1.0
  O  O17  1  0.423  0.871  0.798  1.0
  O  O18  1  0.871  0.798  0.423  1.0
  O  O19  1  0.472  0.487  0.859  1.0
  O  O20  1  0.169  0.736  0.826  1.0
  O  O21  1  0.195  0.406  0.010  1.0
  O  O22  1  0.826  0.169  0.736  1.0
  O  O23  1  0.859  0.472  0.487  1.0
  O  O24  1  0.487  0.859  0.472  1.0
  O  O25  1  0.594  0.990  0.805  1.0
  O  O26  1  0.264  0.174  0.831  1.0
  O  O27  1  0.990  0.805  0.594  1.0
  O  O28  1  0.010  0.195  0.406  1.0
  O  O29  1  0.736  0.826  0.169  1.0
  O  O30  1  0.406  0.010  0.195  1.0
  O  O31  1  0.513  0.141  0.528  1.0
  O  O32  1  0.141  0.528  0.513  1.0
  O  O33  1  0.174  0.831  0.264  1.0
  O  O34  1  0.805  0.594  0.990  1.0
  O  O35  1  0.831  0.264  0.174  1.0
  O  O36  1  0.528  0.513  0.141  1.0
  O  O37  1  0.129  0.202  0.577  1.0
  O  O38  1  0.577  0.129  0.202  1.0
  O  O39  1  0.202  0.577  0.129  1.0
[/CIF]
.
The crystal structure described by Li3Sb2(PO4)3 crystallizes in the trigonal R-3 space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 69-70°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form distorted SbO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra and corners with six equivalent P(1)O4 tetrahedra. In the second Sb site, Sb(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form SbO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with six equivalent P(1)O4 tetrahedra, and edges with three equivalent Li(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(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Sb(2), and one P(1) atom to form distorted corner-sharing OLi2SbP tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Sb(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Sb(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(1) atom. is represented by the CIF file [CIF]
data_Li3Sb2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.658
_cell_length_b   9.658
_cell_length_c   9.658
_cell_angle_alpha   54.799
_cell_angle_beta   54.799
_cell_angle_gamma   54.799
_symmetry_Int_Tables_number   1
_cell_volume   559.786
_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  0.670  0.257  0.933  1.0
  Li  Li1  1  0.257  0.933  0.670  1.0
  Li  Li2  1  0.933  0.670  0.257  1.0
  Li  Li3  1  0.067  0.330  0.743  1.0
  Li  Li4  1  0.743  0.067  0.330  1.0
  Li  Li5  1  0.330  0.743  0.067  1.0
  Sb  Sb6  1  0.843  0.843  0.843  1.0
  Sb  Sb7  1  0.157  0.157  0.157  1.0
  Sb  Sb8  1  0.651  0.651  0.651  1.0
  Sb  Sb9  1  0.349  0.349  0.349  1.0
  P  P10  1  0.258  0.552  0.953  1.0
  P  P11  1  0.953  0.258  0.552  1.0
  P  P12  1  0.552  0.953  0.258  1.0
  P  P13  1  0.448  0.047  0.742  1.0
  P  P14  1  0.047  0.742  0.448  1.0
  P  P15  1  0.742  0.448  0.047  1.0
  O  O16  1  0.798  0.423  0.871  1.0
  O  O17  1  0.423  0.871  0.798  1.0
  O  O18  1  0.871  0.798  0.423  1.0
  O  O19  1  0.472  0.487  0.859  1.0
  O  O20  1  0.169  0.736  0.826  1.0
  O  O21  1  0.195  0.406  0.010  1.0
  O  O22  1  0.826  0.169  0.736  1.0
  O  O23  1  0.859  0.472  0.487  1.0
  O  O24  1  0.487  0.859  0.472  1.0
  O  O25  1  0.594  0.990  0.805  1.0
  O  O26  1  0.264  0.174  0.831  1.0
  O  O27  1  0.990  0.805  0.594  1.0
  O  O28  1  0.010  0.195  0.406  1.0
  O  O29  1  0.736  0.826  0.169  1.0
  O  O30  1  0.406  0.010  0.195  1.0
  O  O31  1  0.513  0.141  0.528  1.0
  O  O32  1  0.141  0.528  0.513  1.0
  O  O33  1  0.174  0.831  0.264  1.0
  O  O34  1  0.805  0.594  0.990  1.0
  O  O35  1  0.831  0.264  0.174  1.0
  O  O36  1  0.528  0.513  0.141  1.0
  O  O37  1  0.129  0.202  0.577  1.0
  O  O38  1  0.577  0.129  0.202  1.0
  O  O39  1  0.202  0.577  0.129  1.0
[/CIF]
.