The compound described by LiSnP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form distorted LiO5 square pyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and edges with two equivalent Sn(1)O6 octahedra. Sn(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(7) atoms to form SnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Sn(1)O6 octahedra, and edges with two equivalent Li(1)O5 square pyramids. 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(4) atom to form PO4 tetrahedra that share corners with three equivalent Sn(1)O6 octahedra, corners with three equivalent Li(1)O5 square pyramids, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-53°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Sn(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-54°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), 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(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Sn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Sn(1) and one P(2) atom. is represented by the CIF card [CIF]
data_LiSnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.794
_cell_length_b   7.304
_cell_length_c   9.225
_cell_angle_alpha   67.151
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   546.016
_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  0.952  0.288  0.827  1.0
  Li  Li1  1  0.452  0.712  0.673  1.0
  Li  Li2  1  0.548  0.288  0.327  1.0
  Li  Li3  1  0.048  0.712  0.173  1.0
  Sn  Sn4  1  0.578  0.251  0.882  1.0
  Sn  Sn5  1  0.078  0.749  0.618  1.0
  Sn  Sn6  1  0.922  0.251  0.382  1.0
  Sn  Sn7  1  0.422  0.749  0.118  1.0
  P  P8  1  0.726  0.536  0.530  1.0
  P  P9  1  0.226  0.464  0.970  1.0
  P  P10  1  0.740  0.933  0.248  1.0
  P  P11  1  0.240  0.067  0.252  1.0
  P  P12  1  0.760  0.933  0.748  1.0
  P  P13  1  0.260  0.067  0.752  1.0
  P  P14  1  0.774  0.536  0.030  1.0
  P  P15  1  0.274  0.464  0.470  1.0
  O  O16  1  0.593  0.494  0.648  1.0
  O  O17  1  0.880  0.541  0.604  1.0
  O  O18  1  0.775  0.388  0.947  1.0
  O  O19  1  0.275  0.612  0.553  1.0
  O  O20  1  0.380  0.459  0.896  1.0
  O  O21  1  0.677  0.750  0.401  1.0
  O  O22  1  0.093  0.506  0.852  1.0
  O  O23  1  0.240  0.887  0.203  1.0
  O  O24  1  0.887  0.881  0.194  1.0
  O  O25  1  0.603  0.971  0.126  1.0
  O  O26  1  0.823  0.750  0.901  1.0
  O  O27  1  0.103  0.029  0.374  1.0
  O  O28  1  0.260  0.887  0.703  1.0
  O  O29  1  0.613  0.881  0.694  1.0
  O  O30  1  0.387  0.119  0.306  1.0
  O  O31  1  0.740  0.113  0.297  1.0
  O  O32  1  0.897  0.971  0.626  1.0
  O  O33  1  0.177  0.250  0.099  1.0
  O  O34  1  0.397  0.029  0.874  1.0
  O  O35  1  0.113  0.119  0.806  1.0
  O  O36  1  0.760  0.113  0.797  1.0
  O  O37  1  0.907  0.494  0.148  1.0
  O  O38  1  0.323  0.250  0.599  1.0
  O  O39  1  0.620  0.541  0.104  1.0
  O  O40  1  0.725  0.388  0.447  1.0
  O  O41  1  0.225  0.612  0.053  1.0
  O  O42  1  0.120  0.459  0.396  1.0
  O  O43  1  0.407  0.506  0.352  1.0
[/CIF]
.
The compound described by LiSnP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form distorted LiO5 square pyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and edges with two equivalent Sn(1)O6 octahedra. Sn(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(7) atoms to form SnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Sn(1)O6 octahedra, and edges with two equivalent Li(1)O5 square pyramids. 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(4) atom to form PO4 tetrahedra that share corners with three equivalent Sn(1)O6 octahedra, corners with three equivalent Li(1)O5 square pyramids, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-53°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Sn(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-54°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), 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(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Sn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Sn(1) and one P(2) atom. is represented by the CIF card [CIF]
data_LiSnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.794
_cell_length_b   7.304
_cell_length_c   9.225
_cell_angle_alpha   67.151
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   546.016
_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  0.952  0.288  0.827  1.0
  Li  Li1  1  0.452  0.712  0.673  1.0
  Li  Li2  1  0.548  0.288  0.327  1.0
  Li  Li3  1  0.048  0.712  0.173  1.0
  Sn  Sn4  1  0.578  0.251  0.882  1.0
  Sn  Sn5  1  0.078  0.749  0.618  1.0
  Sn  Sn6  1  0.922  0.251  0.382  1.0
  Sn  Sn7  1  0.422  0.749  0.118  1.0
  P  P8  1  0.726  0.536  0.530  1.0
  P  P9  1  0.226  0.464  0.970  1.0
  P  P10  1  0.740  0.933  0.248  1.0
  P  P11  1  0.240  0.067  0.252  1.0
  P  P12  1  0.760  0.933  0.748  1.0
  P  P13  1  0.260  0.067  0.752  1.0
  P  P14  1  0.774  0.536  0.030  1.0
  P  P15  1  0.274  0.464  0.470  1.0
  O  O16  1  0.593  0.494  0.648  1.0
  O  O17  1  0.880  0.541  0.604  1.0
  O  O18  1  0.775  0.388  0.947  1.0
  O  O19  1  0.275  0.612  0.553  1.0
  O  O20  1  0.380  0.459  0.896  1.0
  O  O21  1  0.677  0.750  0.401  1.0
  O  O22  1  0.093  0.506  0.852  1.0
  O  O23  1  0.240  0.887  0.203  1.0
  O  O24  1  0.887  0.881  0.194  1.0
  O  O25  1  0.603  0.971  0.126  1.0
  O  O26  1  0.823  0.750  0.901  1.0
  O  O27  1  0.103  0.029  0.374  1.0
  O  O28  1  0.260  0.887  0.703  1.0
  O  O29  1  0.613  0.881  0.694  1.0
  O  O30  1  0.387  0.119  0.306  1.0
  O  O31  1  0.740  0.113  0.297  1.0
  O  O32  1  0.897  0.971  0.626  1.0
  O  O33  1  0.177  0.250  0.099  1.0
  O  O34  1  0.397  0.029  0.874  1.0
  O  O35  1  0.113  0.119  0.806  1.0
  O  O36  1  0.760  0.113  0.797  1.0
  O  O37  1  0.907  0.494  0.148  1.0
  O  O38  1  0.323  0.250  0.599  1.0
  O  O39  1  0.620  0.541  0.104  1.0
  O  O40  1  0.725  0.388  0.447  1.0
  O  O41  1  0.225  0.612  0.053  1.0
  O  O42  1  0.120  0.459  0.396  1.0
  O  O43  1  0.407  0.506  0.352  1.0
[/CIF]
.