The crystal structure described by Li3Sn2(PO4)3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(6), one O(9), and two equivalent O(3) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(5), one O(7), and two equivalent O(2) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form distorted SnO6 octahedra that share corners with six equivalent P(2)O4 tetrahedra and edges with two equivalent Sn(2)O6 octahedra. In the second Sn site, Sn(2) is bonded to one O(7), one O(8), two equivalent O(1), and two equivalent O(2) atoms to form SnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Sn(1)O6 octahedra. In the third Sn site, Sn(3) is bonded to two equivalent O(9) and four equivalent O(3) atoms to form SnO6 octahedra that share corners with six equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(6), one O(8), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. In the second P site, P(2) is bonded to one O(4), one O(7), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with three equivalent Sn(1)O6 octahedra and corners with three equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. In the third P site, P(3) is bonded to one O(5), one O(9), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with three equivalent Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sn(1), one Sn(2), and one P(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Sn(2), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Sn(3), and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Sn(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one P(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(3), one Sn(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Sn(2) and one P(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one Sn(3), and one P(3) atom. is represented by the CIF card [CIF]
data_Li3Sn2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.054
_cell_length_b   5.054
_cell_length_c   20.424
_cell_angle_alpha   89.815
_cell_angle_beta   89.815
_cell_angle_gamma   66.373
_symmetry_Int_Tables_number   1
_cell_volume   478.017
_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  0.994  0.994  0.649  1.0
  Li  Li1  1  0.664  0.664  0.412  1.0
  Li  Li2  1  0.667  0.667  0.726  1.0
  Li  Li3  1  0.333  0.333  0.274  1.0
  Li  Li4  1  0.006  0.006  0.351  1.0
  Li  Li5  1  0.336  0.336  0.588  1.0
  Sn  Sn6  1  0.000  0.000  0.000  1.0
  Sn  Sn7  1  0.999  0.999  0.820  1.0
  Sn  Sn8  1  0.001  0.001  0.180  1.0
  Sn  Sn9  1  0.000  0.000  0.500  1.0
  P  P10  1  0.653  0.653  0.255  1.0
  P  P11  1  0.642  0.642  0.896  1.0
  P  P12  1  0.641  0.641  0.586  1.0
  P  P13  1  0.358  0.358  0.104  1.0
  P  P14  1  0.359  0.359  0.414  1.0
  P  P15  1  0.347  0.347  0.745  1.0
  O  O16  1  0.300  0.765  0.893  1.0
  O  O17  1  0.309  0.759  0.251  1.0
  O  O18  1  0.305  0.752  0.593  1.0
  O  O19  1  0.235  0.700  0.107  1.0
  O  O20  1  0.248  0.695  0.407  1.0
  O  O21  1  0.241  0.691  0.749  1.0
  O  O22  1  0.271  0.271  0.039  1.0
  O  O23  1  0.239  0.239  0.358  1.0
  O  O24  1  0.253  0.253  0.683  1.0
  O  O25  1  0.751  0.751  0.834  1.0
  O  O26  1  0.729  0.729  0.961  1.0
  O  O27  1  0.760  0.760  0.193  1.0
  O  O28  1  0.240  0.240  0.807  1.0
  O  O29  1  0.249  0.249  0.166  1.0
  O  O30  1  0.747  0.747  0.317  1.0
  O  O31  1  0.282  0.282  0.483  1.0
  O  O32  1  0.718  0.718  0.517  1.0
  O  O33  1  0.761  0.761  0.642  1.0
  O  O34  1  0.700  0.235  0.107  1.0
  O  O35  1  0.691  0.241  0.749  1.0
  O  O36  1  0.695  0.248  0.407  1.0
  O  O37  1  0.765  0.300  0.893  1.0
  O  O38  1  0.752  0.305  0.593  1.0
  O  O39  1  0.759  0.309  0.251  1.0
[/CIF]
.
The crystal structure described by Li3Sn2(PO4)3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(6), one O(9), and two equivalent O(3) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(5), one O(7), and two equivalent O(2) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form distorted SnO6 octahedra that share corners with six equivalent P(2)O4 tetrahedra and edges with two equivalent Sn(2)O6 octahedra. In the second Sn site, Sn(2) is bonded to one O(7), one O(8), two equivalent O(1), and two equivalent O(2) atoms to form SnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Sn(1)O6 octahedra. In the third Sn site, Sn(3) is bonded to two equivalent O(9) and four equivalent O(3) atoms to form SnO6 octahedra that share corners with six equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(6), one O(8), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. In the second P site, P(2) is bonded to one O(4), one O(7), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with three equivalent Sn(1)O6 octahedra and corners with three equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. In the third P site, P(3) is bonded to one O(5), one O(9), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with three equivalent Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sn(1), one Sn(2), and one P(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Sn(2), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Sn(3), and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Sn(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one P(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(3), one Sn(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Sn(2) and one P(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one Sn(3), and one P(3) atom. is represented by the CIF card [CIF]
data_Li3Sn2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.054
_cell_length_b   5.054
_cell_length_c   20.424
_cell_angle_alpha   89.815
_cell_angle_beta   89.815
_cell_angle_gamma   66.373
_symmetry_Int_Tables_number   1
_cell_volume   478.017
_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  0.994  0.994  0.649  1.0
  Li  Li1  1  0.664  0.664  0.412  1.0
  Li  Li2  1  0.667  0.667  0.726  1.0
  Li  Li3  1  0.333  0.333  0.274  1.0
  Li  Li4  1  0.006  0.006  0.351  1.0
  Li  Li5  1  0.336  0.336  0.588  1.0
  Sn  Sn6  1  0.000  0.000  0.000  1.0
  Sn  Sn7  1  0.999  0.999  0.820  1.0
  Sn  Sn8  1  0.001  0.001  0.180  1.0
  Sn  Sn9  1  0.000  0.000  0.500  1.0
  P  P10  1  0.653  0.653  0.255  1.0
  P  P11  1  0.642  0.642  0.896  1.0
  P  P12  1  0.641  0.641  0.586  1.0
  P  P13  1  0.358  0.358  0.104  1.0
  P  P14  1  0.359  0.359  0.414  1.0
  P  P15  1  0.347  0.347  0.745  1.0
  O  O16  1  0.300  0.765  0.893  1.0
  O  O17  1  0.309  0.759  0.251  1.0
  O  O18  1  0.305  0.752  0.593  1.0
  O  O19  1  0.235  0.700  0.107  1.0
  O  O20  1  0.248  0.695  0.407  1.0
  O  O21  1  0.241  0.691  0.749  1.0
  O  O22  1  0.271  0.271  0.039  1.0
  O  O23  1  0.239  0.239  0.358  1.0
  O  O24  1  0.253  0.253  0.683  1.0
  O  O25  1  0.751  0.751  0.834  1.0
  O  O26  1  0.729  0.729  0.961  1.0
  O  O27  1  0.760  0.760  0.193  1.0
  O  O28  1  0.240  0.240  0.807  1.0
  O  O29  1  0.249  0.249  0.166  1.0
  O  O30  1  0.747  0.747  0.317  1.0
  O  O31  1  0.282  0.282  0.483  1.0
  O  O32  1  0.718  0.718  0.517  1.0
  O  O33  1  0.761  0.761  0.642  1.0
  O  O34  1  0.700  0.235  0.107  1.0
  O  O35  1  0.691  0.241  0.749  1.0
  O  O36  1  0.695  0.248  0.407  1.0
  O  O37  1  0.765  0.300  0.893  1.0
  O  O38  1  0.752  0.305  0.593  1.0
  O  O39  1  0.759  0.309  0.251  1.0
[/CIF]
.