The structure described by LiSnPO4 crystallizes in the trigonal R3 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 one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Sn(1)O4 tetrahedra, corners with two equivalent Sn(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Sn(1)O4 tetrahedra, corners with two equivalent Sn(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form SnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Sn site, Sn(2) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form distorted SnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. 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(5) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Sn(1)O4 tetrahedra, and corners with two equivalent Sn(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Sn(1)O4 tetrahedra, and corners with two equivalent Sn(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Sn(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Sn(2), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(1), one Sn(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Sn(1), and one P(2) atom. In the fifth 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 sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Sn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Sn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Sn(2), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.035
_cell_length_b   9.035
_cell_length_c   9.035
_cell_angle_alpha   107.281
_cell_angle_beta   107.281
_cell_angle_gamma   107.281
_symmetry_Int_Tables_number   1
_cell_volume   609.563
_cell_formula_units_Z   6
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  0.888  0.132  0.722  1.0
  Li  Li1  1  0.419  0.216  0.612  1.0
  Li  Li2  1  0.612  0.419  0.216  1.0
  Li  Li3  1  0.132  0.722  0.888  1.0
  Li  Li4  1  0.216  0.612  0.419  1.0
  Li  Li5  1  0.722  0.888  0.132  1.0
  Sn  Sn6  1  0.446  0.055  0.223  1.0
  Sn  Sn7  1  0.774  0.542  0.939  1.0
  Sn  Sn8  1  0.055  0.223  0.446  1.0
  Sn  Sn9  1  0.939  0.774  0.542  1.0
  Sn  Sn10  1  0.223  0.446  0.055  1.0
  Sn  Sn11  1  0.542  0.939  0.774  1.0
  P  P12  1  0.278  0.106  0.862  1.0
  P  P13  1  0.786  0.381  0.583  1.0
  P  P14  1  0.862  0.278  0.106  1.0
  P  P15  1  0.381  0.583  0.786  1.0
  P  P16  1  0.583  0.786  0.381  1.0
  P  P17  1  0.106  0.862  0.278  1.0
  O  O18  1  0.902  0.256  0.946  1.0
  O  O19  1  0.389  0.106  0.758  1.0
  O  O20  1  0.103  0.100  0.760  1.0
  O  O21  1  0.895  0.275  0.590  1.0
  O  O22  1  0.273  0.036  0.375  1.0
  O  O23  1  0.760  0.103  0.100  1.0
  O  O24  1  0.661  0.328  0.664  1.0
  O  O25  1  0.682  0.343  0.395  1.0
  O  O26  1  0.343  0.395  0.682  1.0
  O  O27  1  0.906  0.575  0.691  1.0
  O  O28  1  0.758  0.389  0.106  1.0
  O  O29  1  0.575  0.691  0.906  1.0
  O  O30  1  0.375  0.273  0.036  1.0
  O  O31  1  0.275  0.590  0.895  1.0
  O  O32  1  0.036  0.375  0.273  1.0
  O  O33  1  0.664  0.661  0.328  1.0
  O  O34  1  0.328  0.664  0.661  1.0
  O  O35  1  0.395  0.682  0.343  1.0
  O  O36  1  0.691  0.906  0.575  1.0
  O  O37  1  0.256  0.946  0.902  1.0
  O  O38  1  0.946  0.902  0.256  1.0
  O  O39  1  0.106  0.758  0.389  1.0
  O  O40  1  0.590  0.895  0.275  1.0
  O  O41  1  0.100  0.760  0.103  1.0
[/CIF]
.
The structure described by LiSnPO4 crystallizes in the trigonal R3 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 one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Sn(1)O4 tetrahedra, corners with two equivalent Sn(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Sn(1)O4 tetrahedra, corners with two equivalent Sn(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form SnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Sn site, Sn(2) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form distorted SnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. 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(5) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Sn(1)O4 tetrahedra, and corners with two equivalent Sn(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Sn(1)O4 tetrahedra, and corners with two equivalent Sn(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Sn(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Sn(2), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(1), one Sn(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Sn(1), and one P(2) atom. In the fifth 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 sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Sn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Sn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Sn(2), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.035
_cell_length_b   9.035
_cell_length_c   9.035
_cell_angle_alpha   107.281
_cell_angle_beta   107.281
_cell_angle_gamma   107.281
_symmetry_Int_Tables_number   1
_cell_volume   609.563
_cell_formula_units_Z   6
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  0.888  0.132  0.722  1.0
  Li  Li1  1  0.419  0.216  0.612  1.0
  Li  Li2  1  0.612  0.419  0.216  1.0
  Li  Li3  1  0.132  0.722  0.888  1.0
  Li  Li4  1  0.216  0.612  0.419  1.0
  Li  Li5  1  0.722  0.888  0.132  1.0
  Sn  Sn6  1  0.446  0.055  0.223  1.0
  Sn  Sn7  1  0.774  0.542  0.939  1.0
  Sn  Sn8  1  0.055  0.223  0.446  1.0
  Sn  Sn9  1  0.939  0.774  0.542  1.0
  Sn  Sn10  1  0.223  0.446  0.055  1.0
  Sn  Sn11  1  0.542  0.939  0.774  1.0
  P  P12  1  0.278  0.106  0.862  1.0
  P  P13  1  0.786  0.381  0.583  1.0
  P  P14  1  0.862  0.278  0.106  1.0
  P  P15  1  0.381  0.583  0.786  1.0
  P  P16  1  0.583  0.786  0.381  1.0
  P  P17  1  0.106  0.862  0.278  1.0
  O  O18  1  0.902  0.256  0.946  1.0
  O  O19  1  0.389  0.106  0.758  1.0
  O  O20  1  0.103  0.100  0.760  1.0
  O  O21  1  0.895  0.275  0.590  1.0
  O  O22  1  0.273  0.036  0.375  1.0
  O  O23  1  0.760  0.103  0.100  1.0
  O  O24  1  0.661  0.328  0.664  1.0
  O  O25  1  0.682  0.343  0.395  1.0
  O  O26  1  0.343  0.395  0.682  1.0
  O  O27  1  0.906  0.575  0.691  1.0
  O  O28  1  0.758  0.389  0.106  1.0
  O  O29  1  0.575  0.691  0.906  1.0
  O  O30  1  0.375  0.273  0.036  1.0
  O  O31  1  0.275  0.590  0.895  1.0
  O  O32  1  0.036  0.375  0.273  1.0
  O  O33  1  0.664  0.661  0.328  1.0
  O  O34  1  0.328  0.664  0.661  1.0
  O  O35  1  0.395  0.682  0.343  1.0
  O  O36  1  0.691  0.906  0.575  1.0
  O  O37  1  0.256  0.946  0.902  1.0
  O  O38  1  0.946  0.902  0.256  1.0
  O  O39  1  0.106  0.758  0.389  1.0
  O  O40  1  0.590  0.895  0.275  1.0
  O  O41  1  0.100  0.760  0.103  1.0
[/CIF]
.