The compound described by LiSnP2O7 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(2), one O(3), and one O(4) atom to form LiO4 trigonal pyramids that share corners with two equivalent Sn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 71-84°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(12), one O(5), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-68°. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(8), and one O(9) atom to form SnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the second Sn site, Sn(2) is bonded to one O(11), one O(12), one O(13), one O(4), one O(5), and one O(6) atom to form distorted SnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(14), one O(3), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 51-65°. In the second P site, P(2) is bonded to one O(12), one O(13), one O(2), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and corners with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 37-63°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 25-56°. In the fourth P site, P(4) is bonded to one O(11), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-47°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2), one Sn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Sn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Sn(2), and one P(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(2), one Sn(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Sn(2) and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Sn(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one Sn(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Sn(2) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Li(2), one Sn(2), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(1), one Sn(2), and one P(2) atom. In the fourteenth O site, O(14) 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_LiSnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.185
_cell_length_b   8.929
_cell_length_c   14.440
_cell_angle_alpha   63.938
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   600.574
_cell_formula_units_Z   4
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  0.468  0.505  0.580  1.0
  Li  Li1  1  0.996  0.923  0.702  1.0
  Li  Li2  1  0.532  0.505  0.080  1.0
  Li  Li3  1  0.004  0.923  0.202  1.0
  Sn  Sn4  1  0.003  0.772  0.470  1.0
  Sn  Sn5  1  0.997  0.772  0.970  1.0
  Sn  Sn6  1  0.489  0.225  0.018  1.0
  Sn  Sn7  1  0.511  0.225  0.518  1.0
  P  P8  1  0.511  0.804  0.125  1.0
  P  P9  1  0.489  0.804  0.625  1.0
  P  P10  1  0.978  0.311  0.649  1.0
  P  P11  1  0.512  0.689  0.348  1.0
  P  P12  1  0.010  0.191  0.379  1.0
  P  P13  1  0.022  0.311  0.149  1.0
  P  P14  1  0.990  0.191  0.879  1.0
  P  P15  1  0.488  0.689  0.848  1.0
  O  O16  1  0.200  0.836  0.609  1.0
  O  O17  1  0.099  0.477  0.577  1.0
  O  O18  1  0.604  0.716  0.563  1.0
  O  O19  1  0.483  0.515  0.438  1.0
  O  O20  1  0.643  0.963  0.610  1.0
  O  O21  1  0.299  0.175  0.409  1.0
  O  O22  1  0.357  0.963  0.110  1.0
  O  O23  1  0.997  0.317  0.259  1.0
  O  O24  1  0.003  0.317  0.759  1.0
  O  O25  1  0.211  0.758  0.839  1.0
  O  O26  1  0.110  0.027  0.892  1.0
  O  O27  1  0.800  0.836  0.109  1.0
  O  O28  1  0.396  0.716  0.063  1.0
  O  O29  1  0.690  0.814  0.849  1.0
  O  O30  1  0.145  0.278  0.932  1.0
  O  O31  1  0.880  0.161  0.148  1.0
  O  O32  1  0.682  0.303  0.632  1.0
  O  O33  1  0.901  0.477  0.077  1.0
  O  O34  1  0.890  0.027  0.392  1.0
  O  O35  1  0.460  0.668  0.244  1.0
  O  O36  1  0.517  0.515  0.938  1.0
  O  O37  1  0.789  0.758  0.339  1.0
  O  O38  1  0.540  0.668  0.744  1.0
  O  O39  1  0.310  0.814  0.349  1.0
  O  O40  1  0.120  0.161  0.648  1.0
  O  O41  1  0.855  0.278  0.432  1.0
  O  O42  1  0.701  0.175  0.909  1.0
  O  O43  1  0.318  0.303  0.132  1.0
[/CIF]
.
The compound described by LiSnP2O7 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(2), one O(3), and one O(4) atom to form LiO4 trigonal pyramids that share corners with two equivalent Sn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 71-84°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(12), one O(5), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-68°. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(8), and one O(9) atom to form SnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the second Sn site, Sn(2) is bonded to one O(11), one O(12), one O(13), one O(4), one O(5), and one O(6) atom to form distorted SnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(14), one O(3), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 51-65°. In the second P site, P(2) is bonded to one O(12), one O(13), one O(2), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and corners with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 37-63°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 25-56°. In the fourth P site, P(4) is bonded to one O(11), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-47°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2), one Sn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Sn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Sn(2), and one P(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(2), one Sn(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Sn(2) and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Sn(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one Sn(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Sn(2) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Li(2), one Sn(2), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(1), one Sn(2), and one P(2) atom. In the fourteenth O site, O(14) 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_LiSnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.185
_cell_length_b   8.929
_cell_length_c   14.440
_cell_angle_alpha   63.938
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   600.574
_cell_formula_units_Z   4
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  0.468  0.505  0.580  1.0
  Li  Li1  1  0.996  0.923  0.702  1.0
  Li  Li2  1  0.532  0.505  0.080  1.0
  Li  Li3  1  0.004  0.923  0.202  1.0
  Sn  Sn4  1  0.003  0.772  0.470  1.0
  Sn  Sn5  1  0.997  0.772  0.970  1.0
  Sn  Sn6  1  0.489  0.225  0.018  1.0
  Sn  Sn7  1  0.511  0.225  0.518  1.0
  P  P8  1  0.511  0.804  0.125  1.0
  P  P9  1  0.489  0.804  0.625  1.0
  P  P10  1  0.978  0.311  0.649  1.0
  P  P11  1  0.512  0.689  0.348  1.0
  P  P12  1  0.010  0.191  0.379  1.0
  P  P13  1  0.022  0.311  0.149  1.0
  P  P14  1  0.990  0.191  0.879  1.0
  P  P15  1  0.488  0.689  0.848  1.0
  O  O16  1  0.200  0.836  0.609  1.0
  O  O17  1  0.099  0.477  0.577  1.0
  O  O18  1  0.604  0.716  0.563  1.0
  O  O19  1  0.483  0.515  0.438  1.0
  O  O20  1  0.643  0.963  0.610  1.0
  O  O21  1  0.299  0.175  0.409  1.0
  O  O22  1  0.357  0.963  0.110  1.0
  O  O23  1  0.997  0.317  0.259  1.0
  O  O24  1  0.003  0.317  0.759  1.0
  O  O25  1  0.211  0.758  0.839  1.0
  O  O26  1  0.110  0.027  0.892  1.0
  O  O27  1  0.800  0.836  0.109  1.0
  O  O28  1  0.396  0.716  0.063  1.0
  O  O29  1  0.690  0.814  0.849  1.0
  O  O30  1  0.145  0.278  0.932  1.0
  O  O31  1  0.880  0.161  0.148  1.0
  O  O32  1  0.682  0.303  0.632  1.0
  O  O33  1  0.901  0.477  0.077  1.0
  O  O34  1  0.890  0.027  0.392  1.0
  O  O35  1  0.460  0.668  0.244  1.0
  O  O36  1  0.517  0.515  0.938  1.0
  O  O37  1  0.789  0.758  0.339  1.0
  O  O38  1  0.540  0.668  0.744  1.0
  O  O39  1  0.310  0.814  0.349  1.0
  O  O40  1  0.120  0.161  0.648  1.0
  O  O41  1  0.855  0.278  0.432  1.0
  O  O42  1  0.701  0.175  0.909  1.0
  O  O43  1  0.318  0.303  0.132  1.0
[/CIF]
.