The structure described by Li4Sn(PO3)6 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(13), one O(15), one O(16), one O(3), and one O(4) atom to form distorted LiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Li(3)O5 square pyramid. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(11), one O(16), one O(5), and one O(9) atom. In the third Li site, Li(3) is bonded to one O(15), one O(17), one O(3), one O(5), and one O(6) atom to form LiO5 square pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  an edgeedge with one Li(1)O6 octahedra. In the fourth Li site, Li(4) is bonded in a rectangular see-saw-like geometry to one O(13), one O(16), one O(17), and one O(5) atom. Sn(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(8), and one O(9) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(12), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. In the second P site, P(2) is bonded to one O(11), one O(14), one O(17), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the third P site, P(3) is bonded to one O(1), one O(12), one O(2), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 65°. In the fourth P site, P(4) is bonded to one O(1), one O(10), one O(15), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. In the fifth P site, P(5) is bonded to one O(13), one O(14), one O(18), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the sixth P site, P(6) is bonded to one O(16), one O(18), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Sn(1) and one P(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Sn(1), and one P(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(1), one Sn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(4), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Sn(1), and one P(5) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one P(6) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Sn(1) and one P(6) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(2), one Sn(1), and one P(4) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(1), one Li(4), and one P(5) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one P(2) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(4), and one P(6) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Li(4), and one P(2) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one P(5) and one P(6) atom. is represented by the CIF card [CIF]
data_Li4Sn(PO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.304
_cell_length_b   7.494
_cell_length_c   7.586
_cell_angle_alpha   113.770
_cell_angle_beta   104.854
_cell_angle_gamma   97.946
_symmetry_Int_Tables_number   1
_cell_volume   353.315
_cell_formula_units_Z   1
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  0.502  0.502  0.988  1.0
  Li  Li1  1  0.147  0.363  0.590  1.0
  Li  Li2  1  0.857  0.630  0.443  1.0
  Li  Li3  1  0.147  0.724  0.881  1.0
  Sn  Sn4  1  0.921  0.200  0.054  1.0
  P  P5  1  0.758  0.350  0.671  1.0
  P  P6  1  0.231  0.012  0.688  1.0
  P  P7  1  0.505  0.228  0.258  1.0
  P  P8  1  0.761  0.989  0.337  1.0
  P  P9  1  0.229  0.675  0.327  1.0
  P  P10  1  0.494  0.768  0.729  1.0
  O  O11  1  0.556  0.012  0.214  1.0
  O  O12  1  0.289  0.190  0.162  1.0
  O  O13  1  0.652  0.349  0.210  1.0
  O  O14  1  0.723  0.397  0.869  1.0
  O  O15  1  0.929  0.480  0.662  1.0
  O  O16  1  0.067  0.527  0.332  1.0
  O  O17  1  0.442  0.986  0.793  1.0
  O  O18  1  0.711  0.813  0.824  1.0
  O  O19  1  0.932  0.109  0.312  1.0
  O  O20  1  0.773  0.115  0.574  1.0
  O  O21  1  0.256  0.233  0.753  1.0
  O  O22  1  0.556  0.330  0.505  1.0
  O  O23  1  0.246  0.640  0.125  1.0
  O  O24  1  0.211  0.903  0.445  1.0
  O  O25  1  0.738  0.771  0.282  1.0
  O  O26  1  0.359  0.633  0.773  1.0
  O  O27  1  0.072  0.887  0.716  1.0
  O  O28  1  0.435  0.684  0.481  1.0
[/CIF]
.
The structure described by Li4Sn(PO3)6 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(13), one O(15), one O(16), one O(3), and one O(4) atom to form distorted LiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Li(3)O5 square pyramid. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(11), one O(16), one O(5), and one O(9) atom. In the third Li site, Li(3) is bonded to one O(15), one O(17), one O(3), one O(5), and one O(6) atom to form LiO5 square pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  an edgeedge with one Li(1)O6 octahedra. In the fourth Li site, Li(4) is bonded in a rectangular see-saw-like geometry to one O(13), one O(16), one O(17), and one O(5) atom. Sn(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(8), and one O(9) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(12), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. In the second P site, P(2) is bonded to one O(11), one O(14), one O(17), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the third P site, P(3) is bonded to one O(1), one O(12), one O(2), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 65°. In the fourth P site, P(4) is bonded to one O(1), one O(10), one O(15), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. In the fifth P site, P(5) is bonded to one O(13), one O(14), one O(18), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the sixth P site, P(6) is bonded to one O(16), one O(18), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Sn(1) and one P(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Sn(1), and one P(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(1), one Sn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(4), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Sn(1), and one P(5) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one P(6) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Sn(1) and one P(6) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(2), one Sn(1), and one P(4) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(1), one Li(4), and one P(5) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one P(2) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(4), and one P(6) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Li(4), and one P(2) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one P(5) and one P(6) atom. is represented by the CIF card [CIF]
data_Li4Sn(PO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.304
_cell_length_b   7.494
_cell_length_c   7.586
_cell_angle_alpha   113.770
_cell_angle_beta   104.854
_cell_angle_gamma   97.946
_symmetry_Int_Tables_number   1
_cell_volume   353.315
_cell_formula_units_Z   1
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  0.502  0.502  0.988  1.0
  Li  Li1  1  0.147  0.363  0.590  1.0
  Li  Li2  1  0.857  0.630  0.443  1.0
  Li  Li3  1  0.147  0.724  0.881  1.0
  Sn  Sn4  1  0.921  0.200  0.054  1.0
  P  P5  1  0.758  0.350  0.671  1.0
  P  P6  1  0.231  0.012  0.688  1.0
  P  P7  1  0.505  0.228  0.258  1.0
  P  P8  1  0.761  0.989  0.337  1.0
  P  P9  1  0.229  0.675  0.327  1.0
  P  P10  1  0.494  0.768  0.729  1.0
  O  O11  1  0.556  0.012  0.214  1.0
  O  O12  1  0.289  0.190  0.162  1.0
  O  O13  1  0.652  0.349  0.210  1.0
  O  O14  1  0.723  0.397  0.869  1.0
  O  O15  1  0.929  0.480  0.662  1.0
  O  O16  1  0.067  0.527  0.332  1.0
  O  O17  1  0.442  0.986  0.793  1.0
  O  O18  1  0.711  0.813  0.824  1.0
  O  O19  1  0.932  0.109  0.312  1.0
  O  O20  1  0.773  0.115  0.574  1.0
  O  O21  1  0.256  0.233  0.753  1.0
  O  O22  1  0.556  0.330  0.505  1.0
  O  O23  1  0.246  0.640  0.125  1.0
  O  O24  1  0.211  0.903  0.445  1.0
  O  O25  1  0.738  0.771  0.282  1.0
  O  O26  1  0.359  0.633  0.773  1.0
  O  O27  1  0.072  0.887  0.716  1.0
  O  O28  1  0.435  0.684  0.481  1.0
[/CIF]
.