The structure described by Li3Sb2(PO4)3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form distorted LiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(5) atom. 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(6) atom. There are two inequivalent P sites. In the first P site, 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 Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. In the second P site, P(2) is bonded to two equivalent O(5) and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(2), one Sb(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Sb(1), and one P(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Sb(1), and one P(1) atom to form distorted corner-sharing OLi2SbP trigonal pyramids. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Li(2), one Sb(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Sb(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Sb2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.578
_cell_length_b   8.578
_cell_length_c   8.545
_cell_angle_alpha   66.279
_cell_angle_beta   66.279
_cell_angle_gamma   67.182
_symmetry_Int_Tables_number   1
_cell_volume   507.552
_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  0.000  0.500  0.000  1.0
  Li  Li1  1  0.863  0.784  0.622  1.0
  Li  Li2  1  0.784  0.863  0.122  1.0
  Li  Li3  1  0.500  0.000  0.500  1.0
  Li  Li4  1  0.216  0.137  0.878  1.0
  Li  Li5  1  0.137  0.216  0.378  1.0
  Sb  Sb6  1  0.163  0.639  0.160  1.0
  Sb  Sb7  1  0.361  0.837  0.340  1.0
  Sb  Sb8  1  0.639  0.163  0.660  1.0
  Sb  Sb9  1  0.837  0.361  0.840  1.0
  P  P10  1  0.756  0.598  0.430  1.0
  P  P11  1  0.910  0.090  0.250  1.0
  P  P12  1  0.598  0.756  0.930  1.0
  P  P13  1  0.402  0.244  0.070  1.0
  P  P14  1  0.090  0.910  0.750  1.0
  P  P15  1  0.244  0.402  0.570  1.0
  O  O16  1  0.611  0.831  0.058  1.0
  O  O17  1  0.306  0.566  0.507  1.0
  O  O18  1  0.898  0.606  0.239  1.0
  O  O19  1  0.831  0.611  0.558  1.0
  O  O20  1  0.775  0.600  0.900  1.0
  O  O21  1  0.065  0.070  0.309  1.0
  O  O22  1  0.930  0.935  0.191  1.0
  O  O23  1  0.600  0.775  0.400  1.0
  O  O24  1  0.733  0.103  0.411  1.0
  O  O25  1  0.897  0.267  0.089  1.0
  O  O26  1  0.606  0.898  0.739  1.0
  O  O27  1  0.434  0.694  0.993  1.0
  O  O28  1  0.566  0.306  0.007  1.0
  O  O29  1  0.394  0.102  0.261  1.0
  O  O30  1  0.267  0.897  0.589  1.0
  O  O31  1  0.103  0.733  0.911  1.0
  O  O32  1  0.400  0.225  0.600  1.0
  O  O33  1  0.070  0.065  0.809  1.0
  O  O34  1  0.935  0.930  0.691  1.0
  O  O35  1  0.225  0.400  0.100  1.0
  O  O36  1  0.169  0.389  0.442  1.0
  O  O37  1  0.102  0.394  0.761  1.0
  O  O38  1  0.694  0.434  0.493  1.0
  O  O39  1  0.389  0.169  0.942  1.0
[/CIF]
.
The structure described by Li3Sb2(PO4)3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form distorted LiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(5) atom. 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(6) atom. There are two inequivalent P sites. In the first P site, 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 Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. In the second P site, P(2) is bonded to two equivalent O(5) and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(2), one Sb(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Sb(1), and one P(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Sb(1), and one P(1) atom to form distorted corner-sharing OLi2SbP trigonal pyramids. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Li(2), one Sb(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Sb(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Sb2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.578
_cell_length_b   8.578
_cell_length_c   8.545
_cell_angle_alpha   66.279
_cell_angle_beta   66.279
_cell_angle_gamma   67.182
_symmetry_Int_Tables_number   1
_cell_volume   507.552
_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  0.000  0.500  0.000  1.0
  Li  Li1  1  0.863  0.784  0.622  1.0
  Li  Li2  1  0.784  0.863  0.122  1.0
  Li  Li3  1  0.500  0.000  0.500  1.0
  Li  Li4  1  0.216  0.137  0.878  1.0
  Li  Li5  1  0.137  0.216  0.378  1.0
  Sb  Sb6  1  0.163  0.639  0.160  1.0
  Sb  Sb7  1  0.361  0.837  0.340  1.0
  Sb  Sb8  1  0.639  0.163  0.660  1.0
  Sb  Sb9  1  0.837  0.361  0.840  1.0
  P  P10  1  0.756  0.598  0.430  1.0
  P  P11  1  0.910  0.090  0.250  1.0
  P  P12  1  0.598  0.756  0.930  1.0
  P  P13  1  0.402  0.244  0.070  1.0
  P  P14  1  0.090  0.910  0.750  1.0
  P  P15  1  0.244  0.402  0.570  1.0
  O  O16  1  0.611  0.831  0.058  1.0
  O  O17  1  0.306  0.566  0.507  1.0
  O  O18  1  0.898  0.606  0.239  1.0
  O  O19  1  0.831  0.611  0.558  1.0
  O  O20  1  0.775  0.600  0.900  1.0
  O  O21  1  0.065  0.070  0.309  1.0
  O  O22  1  0.930  0.935  0.191  1.0
  O  O23  1  0.600  0.775  0.400  1.0
  O  O24  1  0.733  0.103  0.411  1.0
  O  O25  1  0.897  0.267  0.089  1.0
  O  O26  1  0.606  0.898  0.739  1.0
  O  O27  1  0.434  0.694  0.993  1.0
  O  O28  1  0.566  0.306  0.007  1.0
  O  O29  1  0.394  0.102  0.261  1.0
  O  O30  1  0.267  0.897  0.589  1.0
  O  O31  1  0.103  0.733  0.911  1.0
  O  O32  1  0.400  0.225  0.600  1.0
  O  O33  1  0.070  0.065  0.809  1.0
  O  O34  1  0.935  0.930  0.691  1.0
  O  O35  1  0.225  0.400  0.100  1.0
  O  O36  1  0.169  0.389  0.442  1.0
  O  O37  1  0.102  0.394  0.761  1.0
  O  O38  1  0.694  0.434  0.493  1.0
  O  O39  1  0.389  0.169  0.942  1.0
[/CIF]
.