The material structure described by Li2SnP2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(7), and two equivalent O(6) atoms to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(2), one O(3), and two equivalent O(5) atoms to form LiO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O4 tetrahedra. Sn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(7) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, and corners with three equivalent Li(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. 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(2) atom. In the second O site, O(2) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one Sn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Sn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 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 two equivalent Li(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Sn(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2SnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.212
_cell_length_b   7.576
_cell_length_c   8.663
_cell_angle_alpha   113.486
_cell_angle_beta   91.079
_cell_angle_gamma   90.237
_symmetry_Int_Tables_number   1
_cell_volume   313.642
_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  0.691  0.162  0.591  1.0
  Li  Li1  1  0.699  0.135  0.998  1.0
  Li  Li2  1  0.301  0.865  0.002  1.0
  Li  Li3  1  0.309  0.838  0.409  1.0
  Sn  Sn4  1  0.768  0.728  0.691  1.0
  Sn  Sn5  1  0.232  0.272  0.309  1.0
  P  P6  1  0.804  0.878  0.196  1.0
  P  P7  1  0.775  0.558  0.291  1.0
  P  P8  1  0.225  0.442  0.709  1.0
  P  P9  1  0.196  0.122  0.804  1.0
  O  O10  1  0.969  0.665  0.437  1.0
  O  O11  1  0.907  0.063  0.782  1.0
  O  O12  1  0.849  0.344  0.202  1.0
  O  O13  1  0.808  0.645  0.150  1.0
  O  O14  1  0.683  0.893  0.040  1.0
  O  O15  1  0.650  0.974  0.355  1.0
  O  O16  1  0.502  0.413  0.651  1.0
  O  O17  1  0.498  0.587  0.349  1.0
  O  O18  1  0.350  0.026  0.645  1.0
  O  O19  1  0.317  0.107  0.960  1.0
  O  O20  1  0.192  0.355  0.850  1.0
  O  O21  1  0.151  0.656  0.798  1.0
  O  O22  1  0.093  0.937  0.218  1.0
  O  O23  1  0.031  0.335  0.563  1.0
[/CIF]
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The material structure described by Li2SnP2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(7), and two equivalent O(6) atoms to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(2), one O(3), and two equivalent O(5) atoms to form LiO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O4 tetrahedra. Sn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(7) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, and corners with three equivalent Li(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. 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(2) atom. In the second O site, O(2) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one Sn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Sn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 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 two equivalent Li(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Sn(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2SnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.212
_cell_length_b   7.576
_cell_length_c   8.663
_cell_angle_alpha   113.486
_cell_angle_beta   91.079
_cell_angle_gamma   90.237
_symmetry_Int_Tables_number   1
_cell_volume   313.642
_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  0.691  0.162  0.591  1.0
  Li  Li1  1  0.699  0.135  0.998  1.0
  Li  Li2  1  0.301  0.865  0.002  1.0
  Li  Li3  1  0.309  0.838  0.409  1.0
  Sn  Sn4  1  0.768  0.728  0.691  1.0
  Sn  Sn5  1  0.232  0.272  0.309  1.0
  P  P6  1  0.804  0.878  0.196  1.0
  P  P7  1  0.775  0.558  0.291  1.0
  P  P8  1  0.225  0.442  0.709  1.0
  P  P9  1  0.196  0.122  0.804  1.0
  O  O10  1  0.969  0.665  0.437  1.0
  O  O11  1  0.907  0.063  0.782  1.0
  O  O12  1  0.849  0.344  0.202  1.0
  O  O13  1  0.808  0.645  0.150  1.0
  O  O14  1  0.683  0.893  0.040  1.0
  O  O15  1  0.650  0.974  0.355  1.0
  O  O16  1  0.502  0.413  0.651  1.0
  O  O17  1  0.498  0.587  0.349  1.0
  O  O18  1  0.350  0.026  0.645  1.0
  O  O19  1  0.317  0.107  0.960  1.0
  O  O20  1  0.192  0.355  0.850  1.0
  O  O21  1  0.151  0.656  0.798  1.0
  O  O22  1  0.093  0.937  0.218  1.0
  O  O23  1  0.031  0.335  0.563  1.0
[/CIF]
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