The material described by Li3Sn2P5O16 crystallizes in the monoclinic P2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(8) atoms to form LiO5 trigonal bipyramids that share corners with three equivalent Sn(1)O5 square pyramids, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded in a see-saw-like geometry to two equivalent O(2) and two equivalent O(5) atoms. Sn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted SnO5 square pyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with three equivalent Li(1)O5 trigonal bipyramids. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Sn(1)O5 square pyramids,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to two equivalent O(2) and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with two equivalent Sn(1)O5 square pyramids and corners with two equivalent P(3)O4 tetrahedra. In the third P site, P(3) is bonded to one O(3), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent Li(1)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one P(3) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one P(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Sn(1), and one P(2) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one P(3) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one P(1) atom. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Sn(1), and one P(1) atom. In the seventh O site, O(6) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the eighth O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Sn2P5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.524
_cell_length_b   5.260
_cell_length_c   18.705
_cell_angle_alpha   84.536
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   736.852
_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  0.629  0.205  0.459  1.0
  Li  Li1  1  0.371  0.795  0.541  1.0
  Li  Li2  1  0.371  0.205  0.959  1.0
  Li  Li3  1  0.629  0.795  0.041  1.0
  Li  Li4  1  0.966  0.500  0.750  1.0
  Li  Li5  1  0.034  0.500  0.250  1.0
  Sn  Sn6  1  0.855  0.270  0.921  1.0
  Sn  Sn7  1  0.145  0.270  0.421  1.0
  Sn  Sn8  1  0.145  0.730  0.079  1.0
  Sn  Sn9  1  0.855  0.730  0.579  1.0
  P  P10  1  0.156  0.723  0.906  1.0
  P  P11  1  0.249  0.000  0.250  1.0
  P  P12  1  0.844  0.277  0.094  1.0
  P  P13  1  0.844  0.723  0.406  1.0
  P  P14  1  0.524  0.268  0.624  1.0
  P  P15  1  0.156  0.277  0.594  1.0
  P  P16  1  0.524  0.732  0.876  1.0
  P  P17  1  0.476  0.268  0.124  1.0
  P  P18  1  0.476  0.732  0.376  1.0
  P  P19  1  0.751  0.000  0.750  1.0
  O  O20  1  0.795  0.484  0.033  1.0
  O  O21  1  0.147  0.191  0.289  1.0
  O  O22  1  0.427  0.547  0.108  1.0
  O  O23  1  0.855  0.012  0.067  1.0
  O  O24  1  0.145  0.012  0.567  1.0
  O  O25  1  0.996  0.640  0.862  1.0
  O  O26  1  0.385  0.158  0.198  1.0
  O  O27  1  0.147  0.809  0.211  1.0
  O  O28  1  0.996  0.360  0.638  1.0
  O  O29  1  0.573  0.547  0.608  1.0
  O  O30  1  0.145  0.988  0.933  1.0
  O  O31  1  0.322  0.259  0.652  1.0
  O  O32  1  0.795  0.516  0.467  1.0
  O  O33  1  0.427  0.453  0.392  1.0
  O  O34  1  0.004  0.640  0.362  1.0
  O  O35  1  0.205  0.484  0.533  1.0
  O  O36  1  0.853  0.191  0.789  1.0
  O  O37  1  0.615  0.842  0.802  1.0
  O  O38  1  0.615  0.158  0.698  1.0
  O  O39  1  0.385  0.842  0.302  1.0
  O  O40  1  0.678  0.741  0.348  1.0
  O  O41  1  0.205  0.516  0.967  1.0
  O  O42  1  0.573  0.453  0.892  1.0
  O  O43  1  0.557  0.096  0.566  1.0
  O  O44  1  0.557  0.904  0.934  1.0
  O  O45  1  0.443  0.096  0.066  1.0
  O  O46  1  0.322  0.741  0.848  1.0
  O  O47  1  0.853  0.809  0.711  1.0
  O  O48  1  0.004  0.360  0.138  1.0
  O  O49  1  0.855  0.988  0.433  1.0
  O  O50  1  0.443  0.904  0.434  1.0
  O  O51  1  0.678  0.259  0.152  1.0
[/CIF]
.
The material described by Li3Sn2P5O16 crystallizes in the monoclinic P2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(8) atoms to form LiO5 trigonal bipyramids that share corners with three equivalent Sn(1)O5 square pyramids, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded in a see-saw-like geometry to two equivalent O(2) and two equivalent O(5) atoms. Sn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted SnO5 square pyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with three equivalent Li(1)O5 trigonal bipyramids. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Sn(1)O5 square pyramids,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to two equivalent O(2) and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with two equivalent Sn(1)O5 square pyramids and corners with two equivalent P(3)O4 tetrahedra. In the third P site, P(3) is bonded to one O(3), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent Li(1)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one P(3) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one P(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Sn(1), and one P(2) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one P(3) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one P(1) atom. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Sn(1), and one P(1) atom. In the seventh O site, O(6) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the eighth O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Sn2P5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.524
_cell_length_b   5.260
_cell_length_c   18.705
_cell_angle_alpha   84.536
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   736.852
_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  0.629  0.205  0.459  1.0
  Li  Li1  1  0.371  0.795  0.541  1.0
  Li  Li2  1  0.371  0.205  0.959  1.0
  Li  Li3  1  0.629  0.795  0.041  1.0
  Li  Li4  1  0.966  0.500  0.750  1.0
  Li  Li5  1  0.034  0.500  0.250  1.0
  Sn  Sn6  1  0.855  0.270  0.921  1.0
  Sn  Sn7  1  0.145  0.270  0.421  1.0
  Sn  Sn8  1  0.145  0.730  0.079  1.0
  Sn  Sn9  1  0.855  0.730  0.579  1.0
  P  P10  1  0.156  0.723  0.906  1.0
  P  P11  1  0.249  0.000  0.250  1.0
  P  P12  1  0.844  0.277  0.094  1.0
  P  P13  1  0.844  0.723  0.406  1.0
  P  P14  1  0.524  0.268  0.624  1.0
  P  P15  1  0.156  0.277  0.594  1.0
  P  P16  1  0.524  0.732  0.876  1.0
  P  P17  1  0.476  0.268  0.124  1.0
  P  P18  1  0.476  0.732  0.376  1.0
  P  P19  1  0.751  0.000  0.750  1.0
  O  O20  1  0.795  0.484  0.033  1.0
  O  O21  1  0.147  0.191  0.289  1.0
  O  O22  1  0.427  0.547  0.108  1.0
  O  O23  1  0.855  0.012  0.067  1.0
  O  O24  1  0.145  0.012  0.567  1.0
  O  O25  1  0.996  0.640  0.862  1.0
  O  O26  1  0.385  0.158  0.198  1.0
  O  O27  1  0.147  0.809  0.211  1.0
  O  O28  1  0.996  0.360  0.638  1.0
  O  O29  1  0.573  0.547  0.608  1.0
  O  O30  1  0.145  0.988  0.933  1.0
  O  O31  1  0.322  0.259  0.652  1.0
  O  O32  1  0.795  0.516  0.467  1.0
  O  O33  1  0.427  0.453  0.392  1.0
  O  O34  1  0.004  0.640  0.362  1.0
  O  O35  1  0.205  0.484  0.533  1.0
  O  O36  1  0.853  0.191  0.789  1.0
  O  O37  1  0.615  0.842  0.802  1.0
  O  O38  1  0.615  0.158  0.698  1.0
  O  O39  1  0.385  0.842  0.302  1.0
  O  O40  1  0.678  0.741  0.348  1.0
  O  O41  1  0.205  0.516  0.967  1.0
  O  O42  1  0.573  0.453  0.892  1.0
  O  O43  1  0.557  0.096  0.566  1.0
  O  O44  1  0.557  0.904  0.934  1.0
  O  O45  1  0.443  0.096  0.066  1.0
  O  O46  1  0.322  0.741  0.848  1.0
  O  O47  1  0.853  0.809  0.711  1.0
  O  O48  1  0.004  0.360  0.138  1.0
  O  O49  1  0.855  0.988  0.433  1.0
  O  O50  1  0.443  0.904  0.434  1.0
  O  O51  1  0.678  0.259  0.152  1.0
[/CIF]
.