The crystal structure described by LiSnP2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(3), one O(5), and one O(7) atom. In the second Li site, Li(2) is bonded to one O(12), one O(13), one O(8), and one O(9) atom to form LiO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Sn(1)O6 octahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(13), one O(3), one O(4), one O(6), and one O(8) atom to form SnO6 octahedra that share  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(14), one O(5), one O(7), and one O(9) atom. There are four 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(9) atom to form PO4 tetrahedra that share corners with two equivalent Sn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 52°. In the second P site, P(2) is bonded to one O(14), one O(2), one O(5), and one O(7) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(11), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Sn(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 22-40°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(12), and one O(13) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 29°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar 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 Sn(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Li(1), one Sn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one Sn(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate 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 Li(2), one Sn(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Li(1), one Sn(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Li(2), one Sn(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(2), one Sn(1), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Sn(2) 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   5.269
_cell_length_b   8.487
_cell_length_c   14.043
_cell_angle_alpha   75.218
_cell_angle_beta   87.540
_cell_angle_gamma   88.503
_symmetry_Int_Tables_number   1
_cell_volume   606.593
_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  0.251  0.717  0.831  1.0
  Li  Li1  1  0.198  0.655  0.336  1.0
  Li  Li2  1  0.802  0.345  0.664  1.0
  Li  Li3  1  0.749  0.283  0.169  1.0
  Sn  Sn4  1  0.775  0.908  0.355  1.0
  Sn  Sn5  1  0.755  0.390  0.880  1.0
  Sn  Sn6  1  0.245  0.610  0.120  1.0
  Sn  Sn7  1  0.225  0.092  0.645  1.0
  P  P8  1  0.712  0.010  0.790  1.0
  P  P9  1  0.743  0.724  0.956  1.0
  P  P10  1  0.274  0.787  0.514  1.0
  P  P11  1  0.288  0.494  0.686  1.0
  P  P12  1  0.712  0.506  0.314  1.0
  P  P13  1  0.726  0.213  0.486  1.0
  P  P14  1  0.257  0.276  0.044  1.0
  P  P15  1  0.288  0.990  0.210  1.0
  O  O16  1  0.982  0.960  0.756  1.0
  O  O17  1  0.677  0.919  0.903  1.0
  O  O18  1  0.499  0.951  0.732  1.0
  O  O19  1  0.196  0.899  0.579  1.0
  O  O20  1  0.030  0.700  0.948  1.0
  O  O21  1  0.555  0.799  0.477  1.0
  O  O22  1  0.593  0.636  0.894  1.0
  O  O23  1  0.109  0.808  0.423  1.0
  O  O24  1  0.318  0.811  0.220  1.0
  O  O25  1  0.128  0.568  0.755  1.0
  O  O26  1  0.230  0.602  0.572  1.0
  O  O27  1  0.572  0.497  0.696  1.0
  O  O28  1  0.819  0.677  0.318  1.0
  O  O29  1  0.641  0.698  0.062  1.0
  O  O30  1  0.359  0.302  0.938  1.0
  O  O31  1  0.181  0.323  0.682  1.0
  O  O32  1  0.428  0.503  0.304  1.0
  O  O33  1  0.770  0.398  0.428  1.0
  O  O34  1  0.872  0.432  0.245  1.0
  O  O35  1  0.682  0.189  0.780  1.0
  O  O36  1  0.891  0.192  0.577  1.0
  O  O37  1  0.407  0.364  0.106  1.0
  O  O38  1  0.445  0.201  0.523  1.0
  O  O39  1  0.970  0.300  0.052  1.0
  O  O40  1  0.804  0.101  0.421  1.0
  O  O41  1  0.501  0.049  0.268  1.0
  O  O42  1  0.323  0.081  0.097  1.0
  O  O43  1  0.018  0.040  0.244  1.0
[/CIF]
.
The crystal structure described by LiSnP2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(3), one O(5), and one O(7) atom. In the second Li site, Li(2) is bonded to one O(12), one O(13), one O(8), and one O(9) atom to form LiO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Sn(1)O6 octahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(13), one O(3), one O(4), one O(6), and one O(8) atom to form SnO6 octahedra that share  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(14), one O(5), one O(7), and one O(9) atom. There are four 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(9) atom to form PO4 tetrahedra that share corners with two equivalent Sn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 52°. In the second P site, P(2) is bonded to one O(14), one O(2), one O(5), and one O(7) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(11), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Sn(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 22-40°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(12), and one O(13) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 29°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar 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 Sn(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Li(1), one Sn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one Sn(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate 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 Li(2), one Sn(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Li(1), one Sn(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Li(2), one Sn(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(2), one Sn(1), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Sn(2) 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   5.269
_cell_length_b   8.487
_cell_length_c   14.043
_cell_angle_alpha   75.218
_cell_angle_beta   87.540
_cell_angle_gamma   88.503
_symmetry_Int_Tables_number   1
_cell_volume   606.593
_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  0.251  0.717  0.831  1.0
  Li  Li1  1  0.198  0.655  0.336  1.0
  Li  Li2  1  0.802  0.345  0.664  1.0
  Li  Li3  1  0.749  0.283  0.169  1.0
  Sn  Sn4  1  0.775  0.908  0.355  1.0
  Sn  Sn5  1  0.755  0.390  0.880  1.0
  Sn  Sn6  1  0.245  0.610  0.120  1.0
  Sn  Sn7  1  0.225  0.092  0.645  1.0
  P  P8  1  0.712  0.010  0.790  1.0
  P  P9  1  0.743  0.724  0.956  1.0
  P  P10  1  0.274  0.787  0.514  1.0
  P  P11  1  0.288  0.494  0.686  1.0
  P  P12  1  0.712  0.506  0.314  1.0
  P  P13  1  0.726  0.213  0.486  1.0
  P  P14  1  0.257  0.276  0.044  1.0
  P  P15  1  0.288  0.990  0.210  1.0
  O  O16  1  0.982  0.960  0.756  1.0
  O  O17  1  0.677  0.919  0.903  1.0
  O  O18  1  0.499  0.951  0.732  1.0
  O  O19  1  0.196  0.899  0.579  1.0
  O  O20  1  0.030  0.700  0.948  1.0
  O  O21  1  0.555  0.799  0.477  1.0
  O  O22  1  0.593  0.636  0.894  1.0
  O  O23  1  0.109  0.808  0.423  1.0
  O  O24  1  0.318  0.811  0.220  1.0
  O  O25  1  0.128  0.568  0.755  1.0
  O  O26  1  0.230  0.602  0.572  1.0
  O  O27  1  0.572  0.497  0.696  1.0
  O  O28  1  0.819  0.677  0.318  1.0
  O  O29  1  0.641  0.698  0.062  1.0
  O  O30  1  0.359  0.302  0.938  1.0
  O  O31  1  0.181  0.323  0.682  1.0
  O  O32  1  0.428  0.503  0.304  1.0
  O  O33  1  0.770  0.398  0.428  1.0
  O  O34  1  0.872  0.432  0.245  1.0
  O  O35  1  0.682  0.189  0.780  1.0
  O  O36  1  0.891  0.192  0.577  1.0
  O  O37  1  0.407  0.364  0.106  1.0
  O  O38  1  0.445  0.201  0.523  1.0
  O  O39  1  0.970  0.300  0.052  1.0
  O  O40  1  0.804  0.101  0.421  1.0
  O  O41  1  0.501  0.049  0.268  1.0
  O  O42  1  0.323  0.081  0.097  1.0
  O  O43  1  0.018  0.040  0.244  1.0
[/CIF]
.