The structure described by Li3Sb(PO4)2 crystallizes in the trigonal R3 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), and two equivalent O(8) atoms. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(1), one O(5), one O(6), and one O(7) atom. In the third Li site, Li(3) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to three equivalent O(5) and three equivalent O(8) atoms to form distorted LiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Li(5)O6 octahedra. In the fifth Li site, Li(5) is bonded to three equivalent O(3) and three equivalent O(8) atoms to form distorted LiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Li(4)O6 octahedra. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(6) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to three equivalent O(5) and three equivalent O(7) atoms. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, and  a cornercorner with one Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-51°. In the second P site, P(2) is bonded to one O(2), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, and  a cornercorner with one Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-45°. There are eight inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Sb(1), and one P(2) atom. In the second O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Sb(2), and one P(2) atom. In the third O site, O(8) is bonded in a 5-coordinate geometry to one Li(4), one Li(5), two equivalent Li(1), and one P(2) atom. In the fourth O site, O(1) is bonded to one Li(2), one Li(3), one Sb(1), and one P(1) atom to form distorted edge-sharing OLi2SbP trigonal pyramids. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Sb(3), and one P(2) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Li(5), and one P(1) atom. In the seventh O site, O(4) is bonded in a 2-coordinate geometry to one Li(1), one Sb(3), and one P(1) atom. In the eighth O site, O(5) is bonded to one Li(2), one Li(4), one Sb(2), and one P(1) atom to form distorted edge-sharing OLi2SbP trigonal pyramids. is represented by the CIF file [CIF]
data_Li3Sb(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.372
_cell_length_b   8.372
_cell_length_c   8.372
_cell_angle_alpha   68.969
_cell_angle_beta   68.969
_cell_angle_gamma   68.969
_symmetry_Int_Tables_number   1
_cell_volume   493.149
_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  0.839  0.301  0.623  1.0
  Li  Li1  1  0.747  0.353  0.139  1.0
  Li  Li2  1  0.353  0.139  0.747  1.0
  Li  Li3  1  0.997  0.997  0.997  1.0
  Li  Li4  1  0.512  0.512  0.512  1.0
  Li  Li5  1  0.654  0.654  0.654  1.0
  Li  Li6  1  0.623  0.839  0.301  1.0
  Li  Li7  1  0.301  0.623  0.839  1.0
  Li  Li8  1  0.139  0.747  0.353  1.0
  Sb  Sb9  1  0.155  0.155  0.155  1.0
  Sb  Sb10  1  0.342  0.342  0.342  1.0
  Sb  Sb11  1  0.845  0.845  0.845  1.0
  P  P12  1  0.753  0.084  0.422  1.0
  P  P13  1  0.910  0.582  0.245  1.0
  P  P14  1  0.582  0.245  0.910  1.0
  P  P15  1  0.422  0.753  0.084  1.0
  P  P16  1  0.084  0.422  0.753  1.0
  P  P17  1  0.245  0.910  0.582  1.0
  O  O18  1  0.898  0.101  0.233  1.0
  O  O19  1  0.768  0.095  0.895  1.0
  O  O20  1  0.917  0.464  0.696  1.0
  O  O21  1  0.094  0.564  0.821  1.0
  O  O22  1  0.597  0.263  0.394  1.0
  O  O23  1  0.430  0.171  0.931  1.0
  O  O24  1  0.304  0.072  0.563  1.0
  O  O25  1  0.739  0.594  0.397  1.0
  O  O26  1  0.895  0.768  0.095  1.0
  O  O27  1  0.171  0.931  0.430  1.0
  O  O28  1  0.563  0.304  0.072  1.0
  O  O29  1  0.594  0.397  0.739  1.0
  O  O30  1  0.394  0.597  0.263  1.0
  O  O31  1  0.464  0.696  0.917  1.0
  O  O32  1  0.821  0.094  0.564  1.0
  O  O33  1  0.263  0.394  0.597  1.0
  O  O34  1  0.101  0.233  0.898  1.0
  O  O35  1  0.564  0.821  0.094  1.0
  O  O36  1  0.696  0.917  0.464  1.0
  O  O37  1  0.397  0.739  0.594  1.0
  O  O38  1  0.931  0.430  0.171  1.0
  O  O39  1  0.072  0.563  0.304  1.0
  O  O40  1  0.233  0.898  0.101  1.0
  O  O41  1  0.095  0.895  0.768  1.0
[/CIF]
.
The structure described by Li3Sb(PO4)2 crystallizes in the trigonal R3 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), and two equivalent O(8) atoms. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(1), one O(5), one O(6), and one O(7) atom. In the third Li site, Li(3) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to three equivalent O(5) and three equivalent O(8) atoms to form distorted LiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Li(5)O6 octahedra. In the fifth Li site, Li(5) is bonded to three equivalent O(3) and three equivalent O(8) atoms to form distorted LiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Li(4)O6 octahedra. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(6) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to three equivalent O(5) and three equivalent O(7) atoms. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, and  a cornercorner with one Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-51°. In the second P site, P(2) is bonded to one O(2), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, and  a cornercorner with one Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-45°. There are eight inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Sb(1), and one P(2) atom. In the second O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Sb(2), and one P(2) atom. In the third O site, O(8) is bonded in a 5-coordinate geometry to one Li(4), one Li(5), two equivalent Li(1), and one P(2) atom. In the fourth O site, O(1) is bonded to one Li(2), one Li(3), one Sb(1), and one P(1) atom to form distorted edge-sharing OLi2SbP trigonal pyramids. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Sb(3), and one P(2) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Li(5), and one P(1) atom. In the seventh O site, O(4) is bonded in a 2-coordinate geometry to one Li(1), one Sb(3), and one P(1) atom. In the eighth O site, O(5) is bonded to one Li(2), one Li(4), one Sb(2), and one P(1) atom to form distorted edge-sharing OLi2SbP trigonal pyramids. is represented by the CIF file [CIF]
data_Li3Sb(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.372
_cell_length_b   8.372
_cell_length_c   8.372
_cell_angle_alpha   68.969
_cell_angle_beta   68.969
_cell_angle_gamma   68.969
_symmetry_Int_Tables_number   1
_cell_volume   493.149
_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  0.839  0.301  0.623  1.0
  Li  Li1  1  0.747  0.353  0.139  1.0
  Li  Li2  1  0.353  0.139  0.747  1.0
  Li  Li3  1  0.997  0.997  0.997  1.0
  Li  Li4  1  0.512  0.512  0.512  1.0
  Li  Li5  1  0.654  0.654  0.654  1.0
  Li  Li6  1  0.623  0.839  0.301  1.0
  Li  Li7  1  0.301  0.623  0.839  1.0
  Li  Li8  1  0.139  0.747  0.353  1.0
  Sb  Sb9  1  0.155  0.155  0.155  1.0
  Sb  Sb10  1  0.342  0.342  0.342  1.0
  Sb  Sb11  1  0.845  0.845  0.845  1.0
  P  P12  1  0.753  0.084  0.422  1.0
  P  P13  1  0.910  0.582  0.245  1.0
  P  P14  1  0.582  0.245  0.910  1.0
  P  P15  1  0.422  0.753  0.084  1.0
  P  P16  1  0.084  0.422  0.753  1.0
  P  P17  1  0.245  0.910  0.582  1.0
  O  O18  1  0.898  0.101  0.233  1.0
  O  O19  1  0.768  0.095  0.895  1.0
  O  O20  1  0.917  0.464  0.696  1.0
  O  O21  1  0.094  0.564  0.821  1.0
  O  O22  1  0.597  0.263  0.394  1.0
  O  O23  1  0.430  0.171  0.931  1.0
  O  O24  1  0.304  0.072  0.563  1.0
  O  O25  1  0.739  0.594  0.397  1.0
  O  O26  1  0.895  0.768  0.095  1.0
  O  O27  1  0.171  0.931  0.430  1.0
  O  O28  1  0.563  0.304  0.072  1.0
  O  O29  1  0.594  0.397  0.739  1.0
  O  O30  1  0.394  0.597  0.263  1.0
  O  O31  1  0.464  0.696  0.917  1.0
  O  O32  1  0.821  0.094  0.564  1.0
  O  O33  1  0.263  0.394  0.597  1.0
  O  O34  1  0.101  0.233  0.898  1.0
  O  O35  1  0.564  0.821  0.094  1.0
  O  O36  1  0.696  0.917  0.464  1.0
  O  O37  1  0.397  0.739  0.594  1.0
  O  O38  1  0.931  0.430  0.171  1.0
  O  O39  1  0.072  0.563  0.304  1.0
  O  O40  1  0.233  0.898  0.101  1.0
  O  O41  1  0.095  0.895  0.768  1.0
[/CIF]
.