The crystal structure described by Li3Sn(PO4)2 crystallizes in the trigonal P3 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Sn(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the second Li site, Li(2) is bonded in a trigonal non-coplanar geometry to three equivalent O(5) atoms. In the third Li site, Li(3) is bonded in a trigonal non-coplanar geometry to three equivalent O(2) atoms. In the fourth Li site, Li(4) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(4) atom. In the fifth Li site, Li(5) is bonded in a trigonal non-coplanar geometry to three equivalent O(7) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. In the second Sn site, Sn(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form SnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the third Sn site, Sn(3) is bonded to three equivalent O(6) and three equivalent O(8) atoms to form SnO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one Sn(3)O6 octahedra, and corners with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one Sn(3)O6 octahedra, and  a cornercorner with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-51°. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Sn(3) and one P(2) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(4), one Sn(1), and one P(2) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(4), and one P(1) atom. In the fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Sn(2) and one P(1) atom. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(4), one Sn(2), and one P(2) atom. In the sixth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one P(1) atom. In the seventh O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Sn(3), and one P(1) atom. In the eighth O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Li(5), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Sn(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.519
_cell_length_b   8.519
_cell_length_c   7.709
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   484.513
_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  0.350  0.008  0.640  1.0
  Li  Li1  1  0.992  0.342  0.640  1.0
  Li  Li2  1  0.000  0.000  0.601  1.0
  Li  Li3  1  0.333  0.667  0.529  1.0
  Li  Li4  1  0.307  0.348  0.355  1.0
  Li  Li5  1  0.658  0.650  0.640  1.0
  Li  Li6  1  0.667  0.333  0.499  1.0
  Li  Li7  1  0.042  0.693  0.355  1.0
  Li  Li8  1  0.652  0.958  0.355  1.0
  Sn  Sn9  1  0.000  0.000  0.050  1.0
  Sn  Sn10  1  0.333  0.667  0.027  1.0
  Sn  Sn11  1  0.667  0.333  0.946  1.0
  P  P12  1  0.022  0.685  0.748  1.0
  P  P13  1  0.315  0.336  0.748  1.0
  P  P14  1  0.664  0.978  0.748  1.0
  P  P15  1  0.370  0.038  0.245  1.0
  P  P16  1  0.667  0.630  0.245  1.0
  P  P17  1  0.962  0.333  0.245  1.0
  O  O18  1  0.160  0.939  0.255  1.0
  O  O19  1  0.144  0.709  0.588  1.0
  O  O20  1  0.144  0.769  0.909  1.0
  O  O21  1  0.432  0.894  0.218  1.0
  O  O22  1  0.106  0.538  0.218  1.0
  O  O23  1  0.061  0.220  0.255  1.0
  O  O24  1  0.624  0.856  0.909  1.0
  O  O25  1  0.228  0.133  0.709  1.0
  O  O26  1  0.231  0.376  0.909  1.0
  O  O27  1  0.291  0.434  0.588  1.0
  O  O28  1  0.566  0.856  0.588  1.0
  O  O29  1  0.462  0.568  0.218  1.0
  O  O30  1  0.528  0.417  0.775  1.0
  O  O31  1  0.449  0.137  0.416  1.0
  O  O32  1  0.688  0.551  0.416  1.0
  O  O33  1  0.745  0.567  0.091  1.0
  O  O34  1  0.780  0.840  0.255  1.0
  O  O35  1  0.433  0.177  0.091  1.0
  O  O36  1  0.905  0.772  0.709  1.0
  O  O37  1  0.889  0.472  0.775  1.0
  O  O38  1  0.583  0.111  0.775  1.0
  O  O39  1  0.823  0.255  0.091  1.0
  O  O40  1  0.863  0.312  0.416  1.0
  O  O41  1  0.867  0.095  0.709  1.0
[/CIF]
.
The crystal structure described by Li3Sn(PO4)2 crystallizes in the trigonal P3 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Sn(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the second Li site, Li(2) is bonded in a trigonal non-coplanar geometry to three equivalent O(5) atoms. In the third Li site, Li(3) is bonded in a trigonal non-coplanar geometry to three equivalent O(2) atoms. In the fourth Li site, Li(4) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(4) atom. In the fifth Li site, Li(5) is bonded in a trigonal non-coplanar geometry to three equivalent O(7) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. In the second Sn site, Sn(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form SnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the third Sn site, Sn(3) is bonded to three equivalent O(6) and three equivalent O(8) atoms to form SnO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one Sn(3)O6 octahedra, and corners with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one Sn(3)O6 octahedra, and  a cornercorner with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-51°. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Sn(3) and one P(2) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(4), one Sn(1), and one P(2) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(4), and one P(1) atom. In the fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Sn(2) and one P(1) atom. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(4), one Sn(2), and one P(2) atom. In the sixth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one P(1) atom. In the seventh O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Sn(3), and one P(1) atom. In the eighth O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Li(5), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Sn(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.519
_cell_length_b   8.519
_cell_length_c   7.709
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   484.513
_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  0.350  0.008  0.640  1.0
  Li  Li1  1  0.992  0.342  0.640  1.0
  Li  Li2  1  0.000  0.000  0.601  1.0
  Li  Li3  1  0.333  0.667  0.529  1.0
  Li  Li4  1  0.307  0.348  0.355  1.0
  Li  Li5  1  0.658  0.650  0.640  1.0
  Li  Li6  1  0.667  0.333  0.499  1.0
  Li  Li7  1  0.042  0.693  0.355  1.0
  Li  Li8  1  0.652  0.958  0.355  1.0
  Sn  Sn9  1  0.000  0.000  0.050  1.0
  Sn  Sn10  1  0.333  0.667  0.027  1.0
  Sn  Sn11  1  0.667  0.333  0.946  1.0
  P  P12  1  0.022  0.685  0.748  1.0
  P  P13  1  0.315  0.336  0.748  1.0
  P  P14  1  0.664  0.978  0.748  1.0
  P  P15  1  0.370  0.038  0.245  1.0
  P  P16  1  0.667  0.630  0.245  1.0
  P  P17  1  0.962  0.333  0.245  1.0
  O  O18  1  0.160  0.939  0.255  1.0
  O  O19  1  0.144  0.709  0.588  1.0
  O  O20  1  0.144  0.769  0.909  1.0
  O  O21  1  0.432  0.894  0.218  1.0
  O  O22  1  0.106  0.538  0.218  1.0
  O  O23  1  0.061  0.220  0.255  1.0
  O  O24  1  0.624  0.856  0.909  1.0
  O  O25  1  0.228  0.133  0.709  1.0
  O  O26  1  0.231  0.376  0.909  1.0
  O  O27  1  0.291  0.434  0.588  1.0
  O  O28  1  0.566  0.856  0.588  1.0
  O  O29  1  0.462  0.568  0.218  1.0
  O  O30  1  0.528  0.417  0.775  1.0
  O  O31  1  0.449  0.137  0.416  1.0
  O  O32  1  0.688  0.551  0.416  1.0
  O  O33  1  0.745  0.567  0.091  1.0
  O  O34  1  0.780  0.840  0.255  1.0
  O  O35  1  0.433  0.177  0.091  1.0
  O  O36  1  0.905  0.772  0.709  1.0
  O  O37  1  0.889  0.472  0.775  1.0
  O  O38  1  0.583  0.111  0.775  1.0
  O  O39  1  0.823  0.255  0.091  1.0
  O  O40  1  0.863  0.312  0.416  1.0
  O  O41  1  0.867  0.095  0.709  1.0
[/CIF]
.