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 in a distorted rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. Sn(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), 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(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with two equivalent Li(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent Li(2)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Li(2) and one P(2) atom. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), and one P(1) atom to form distorted OLi3P trigonal pyramids that share corners with three equivalent O(5)Li2SnP tetrahedra and  an edgeedge with one O(2)Li3P trigonal pyramid. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one Sn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(2), one Sn(1), and one P(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Sn(1), and one P(2) atom to form distorted corner-sharing OLi2SnP tetrahedra. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Sn(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2SnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.371
_cell_length_b   7.020
_cell_length_c   8.946
_cell_angle_alpha   108.198
_cell_angle_beta   93.246
_cell_angle_gamma   110.703
_symmetry_Int_Tables_number   1
_cell_volume   294.404
_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  0.899  0.679  0.997  1.0
  Li  Li1  1  0.357  0.619  0.771  1.0
  Li  Li2  1  0.643  0.381  0.229  1.0
  Li  Li3  1  0.101  0.321  0.003  1.0
  Sn  Sn4  1  0.135  0.124  0.352  1.0
  Sn  Sn5  1  0.865  0.876  0.648  1.0
  P  P6  1  0.480  0.843  0.145  1.0
  P  P7  1  0.764  0.385  0.644  1.0
  P  P8  1  0.236  0.615  0.356  1.0
  P  P9  1  0.520  0.157  0.855  1.0
  O  O10  1  0.021  0.356  0.692  1.0
  O  O11  1  0.701  0.363  0.994  1.0
  O  O12  1  0.367  0.022  0.169  1.0
  O  O13  1  0.675  0.341  0.468  1.0
  O  O14  1  0.979  0.644  0.308  1.0
  O  O15  1  0.765  0.609  0.756  1.0
  O  O16  1  0.483  0.794  0.312  1.0
  O  O17  1  0.299  0.637  0.006  1.0
  O  O18  1  0.235  0.391  0.244  1.0
  O  O19  1  0.517  0.206  0.688  1.0
  O  O20  1  0.781  0.922  0.132  1.0
  O  O21  1  0.325  0.659  0.532  1.0
  O  O22  1  0.633  0.978  0.831  1.0
  O  O23  1  0.219  0.078  0.868  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 in a distorted rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. Sn(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), 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(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with two equivalent Li(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent Li(2)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Li(2) and one P(2) atom. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), and one P(1) atom to form distorted OLi3P trigonal pyramids that share corners with three equivalent O(5)Li2SnP tetrahedra and  an edgeedge with one O(2)Li3P trigonal pyramid. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one Sn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(2), one Sn(1), and one P(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Sn(1), and one P(2) atom to form distorted corner-sharing OLi2SnP tetrahedra. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Sn(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2SnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.371
_cell_length_b   7.020
_cell_length_c   8.946
_cell_angle_alpha   108.198
_cell_angle_beta   93.246
_cell_angle_gamma   110.703
_symmetry_Int_Tables_number   1
_cell_volume   294.404
_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  0.899  0.679  0.997  1.0
  Li  Li1  1  0.357  0.619  0.771  1.0
  Li  Li2  1  0.643  0.381  0.229  1.0
  Li  Li3  1  0.101  0.321  0.003  1.0
  Sn  Sn4  1  0.135  0.124  0.352  1.0
  Sn  Sn5  1  0.865  0.876  0.648  1.0
  P  P6  1  0.480  0.843  0.145  1.0
  P  P7  1  0.764  0.385  0.644  1.0
  P  P8  1  0.236  0.615  0.356  1.0
  P  P9  1  0.520  0.157  0.855  1.0
  O  O10  1  0.021  0.356  0.692  1.0
  O  O11  1  0.701  0.363  0.994  1.0
  O  O12  1  0.367  0.022  0.169  1.0
  O  O13  1  0.675  0.341  0.468  1.0
  O  O14  1  0.979  0.644  0.308  1.0
  O  O15  1  0.765  0.609  0.756  1.0
  O  O16  1  0.483  0.794  0.312  1.0
  O  O17  1  0.299  0.637  0.006  1.0
  O  O18  1  0.235  0.391  0.244  1.0
  O  O19  1  0.517  0.206  0.688  1.0
  O  O20  1  0.781  0.922  0.132  1.0
  O  O21  1  0.325  0.659  0.532  1.0
  O  O22  1  0.633  0.978  0.831  1.0
  O  O23  1  0.219  0.078  0.868  1.0
[/CIF]
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