The crystal structure described by Li3Sb2(PO4)3 crystallizes in the monoclinic C2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(3), one O(5), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(4) and two equivalent O(7) atoms. In the third Li site, Li(3) is bonded in a distorted see-saw-like geometry to two equivalent O(6) and two equivalent O(8) atoms. In the fourth Li site, Li(4) is bonded in a distorted see-saw-like geometry to one O(10), one O(11), one O(12), and one O(9) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(6), one O(8), and one O(9) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(5), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-45°. In the second P site, P(2) is bonded to two equivalent O(10) and two equivalent O(7) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. In the third P site, P(3) is bonded to two equivalent O(2) and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the fourth P site, P(4) is bonded to one O(1), one O(11), one O(12), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one P(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Sb(1) and one P(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Sb(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Li(2), one Sb(1), and one P(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Sb(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Sb(2), and one P(1) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Sb(1), and one P(2) atom to form a mixture of distorted edge and corner-sharing OLi2SbP trigonal pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Sb(2), and one P(3) atom to form a mixture of distorted edge and corner-sharing OLi2SbP trigonal pyramids. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(4), one Sb(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(4), one Sb(2), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Sb(2), and one P(4) atom to form a mixture of distorted edge and corner-sharing OLi2SbP trigonal pyramids. In the twelfth O site, O(12) is bonded to one Li(1), one Li(4), one Sb(2), and one P(4) atom to form a mixture of distorted edge and corner-sharing OLi2SbP trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Sb2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.507
_cell_length_b   8.507
_cell_length_c   8.542
_cell_angle_alpha   67.210
_cell_angle_beta   67.210
_cell_angle_gamma   66.960
_symmetry_Int_Tables_number   1
_cell_volume   503.821
_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  0.508  0.002  0.235  1.0
  Li  Li1  1  0.359  0.641  0.500  1.0
  Li  Li2  1  0.998  0.492  0.765  1.0
  Li  Li3  1  0.633  0.367  0.000  1.0
  Li  Li4  1  0.253  0.135  0.610  1.0
  Li  Li5  1  0.865  0.747  0.390  1.0
  Sb  Sb6  1  0.341  0.854  0.095  1.0
  Sb  Sb7  1  0.146  0.659  0.905  1.0
  Sb  Sb8  1  0.840  0.341  0.595  1.0
  Sb  Sb9  1  0.659  0.160  0.405  1.0
  P  P10  1  0.751  0.592  0.158  1.0
  P  P11  1  0.408  0.249  0.842  1.0
  P  P12  1  0.083  0.917  0.500  1.0
  P  P13  1  0.916  0.084  0.000  1.0
  P  P14  1  0.577  0.747  0.656  1.0
  P  P15  1  0.253  0.423  0.344  1.0
  O  O16  1  0.201  0.475  0.176  1.0
  O  O17  1  0.933  0.929  0.942  1.0
  O  O18  1  0.594  0.770  0.151  1.0
  O  O19  1  0.440  0.682  0.645  1.0
  O  O20  1  0.905  0.603  0.979  1.0
  O  O21  1  0.685  0.439  0.176  1.0
  O  O22  1  0.397  0.095  0.021  1.0
  O  O23  1  0.230  0.406  0.849  1.0
  O  O24  1  0.100  0.734  0.648  1.0
  O  O25  1  0.071  0.067  0.058  1.0
  O  O26  1  0.732  0.111  0.153  1.0
  O  O27  1  0.525  0.799  0.824  1.0
  O  O28  1  0.432  0.180  0.690  1.0
  O  O29  1  0.266  0.900  0.352  1.0
  O  O30  1  0.932  0.939  0.430  1.0
  O  O31  1  0.889  0.268  0.847  1.0
  O  O32  1  0.765  0.599  0.641  1.0
  O  O33  1  0.610  0.906  0.480  1.0
  O  O34  1  0.318  0.560  0.355  1.0
  O  O35  1  0.094  0.390  0.520  1.0
  O  O36  1  0.561  0.315  0.824  1.0
  O  O37  1  0.401  0.235  0.359  1.0
  O  O38  1  0.061  0.068  0.570  1.0
  O  O39  1  0.820  0.568  0.310  1.0
[/CIF]
.
The crystal structure described by Li3Sb2(PO4)3 crystallizes in the monoclinic C2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(3), one O(5), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(4) and two equivalent O(7) atoms. In the third Li site, Li(3) is bonded in a distorted see-saw-like geometry to two equivalent O(6) and two equivalent O(8) atoms. In the fourth Li site, Li(4) is bonded in a distorted see-saw-like geometry to one O(10), one O(11), one O(12), and one O(9) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(6), one O(8), and one O(9) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(5), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-45°. In the second P site, P(2) is bonded to two equivalent O(10) and two equivalent O(7) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. In the third P site, P(3) is bonded to two equivalent O(2) and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the fourth P site, P(4) is bonded to one O(1), one O(11), one O(12), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one P(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Sb(1) and one P(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Sb(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Li(2), one Sb(1), and one P(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Sb(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Sb(2), and one P(1) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Sb(1), and one P(2) atom to form a mixture of distorted edge and corner-sharing OLi2SbP trigonal pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Sb(2), and one P(3) atom to form a mixture of distorted edge and corner-sharing OLi2SbP trigonal pyramids. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(4), one Sb(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(4), one Sb(2), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Sb(2), and one P(4) atom to form a mixture of distorted edge and corner-sharing OLi2SbP trigonal pyramids. In the twelfth O site, O(12) is bonded to one Li(1), one Li(4), one Sb(2), and one P(4) atom to form a mixture of distorted edge and corner-sharing OLi2SbP trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Sb2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.507
_cell_length_b   8.507
_cell_length_c   8.542
_cell_angle_alpha   67.210
_cell_angle_beta   67.210
_cell_angle_gamma   66.960
_symmetry_Int_Tables_number   1
_cell_volume   503.821
_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  0.508  0.002  0.235  1.0
  Li  Li1  1  0.359  0.641  0.500  1.0
  Li  Li2  1  0.998  0.492  0.765  1.0
  Li  Li3  1  0.633  0.367  0.000  1.0
  Li  Li4  1  0.253  0.135  0.610  1.0
  Li  Li5  1  0.865  0.747  0.390  1.0
  Sb  Sb6  1  0.341  0.854  0.095  1.0
  Sb  Sb7  1  0.146  0.659  0.905  1.0
  Sb  Sb8  1  0.840  0.341  0.595  1.0
  Sb  Sb9  1  0.659  0.160  0.405  1.0
  P  P10  1  0.751  0.592  0.158  1.0
  P  P11  1  0.408  0.249  0.842  1.0
  P  P12  1  0.083  0.917  0.500  1.0
  P  P13  1  0.916  0.084  0.000  1.0
  P  P14  1  0.577  0.747  0.656  1.0
  P  P15  1  0.253  0.423  0.344  1.0
  O  O16  1  0.201  0.475  0.176  1.0
  O  O17  1  0.933  0.929  0.942  1.0
  O  O18  1  0.594  0.770  0.151  1.0
  O  O19  1  0.440  0.682  0.645  1.0
  O  O20  1  0.905  0.603  0.979  1.0
  O  O21  1  0.685  0.439  0.176  1.0
  O  O22  1  0.397  0.095  0.021  1.0
  O  O23  1  0.230  0.406  0.849  1.0
  O  O24  1  0.100  0.734  0.648  1.0
  O  O25  1  0.071  0.067  0.058  1.0
  O  O26  1  0.732  0.111  0.153  1.0
  O  O27  1  0.525  0.799  0.824  1.0
  O  O28  1  0.432  0.180  0.690  1.0
  O  O29  1  0.266  0.900  0.352  1.0
  O  O30  1  0.932  0.939  0.430  1.0
  O  O31  1  0.889  0.268  0.847  1.0
  O  O32  1  0.765  0.599  0.641  1.0
  O  O33  1  0.610  0.906  0.480  1.0
  O  O34  1  0.318  0.560  0.355  1.0
  O  O35  1  0.094  0.390  0.520  1.0
  O  O36  1  0.561  0.315  0.824  1.0
  O  O37  1  0.401  0.235  0.359  1.0
  O  O38  1  0.061  0.068  0.570  1.0
  O  O39  1  0.820  0.568  0.310  1.0
[/CIF]
.