The compound described by SnP2O7 crystallizes in the triclinic P-1 space group. Sn(1) is bonded to one O(1), one O(3), one O(5), one O(7), and two equivalent O(6) atoms to form SnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Sn(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Sn(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-47°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Sn(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-59°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one P(2) 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 bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Sn(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.473
_cell_length_b   6.536
_cell_length_c   7.032
_cell_angle_alpha   88.391
_cell_angle_beta   114.005
_cell_angle_gamma   95.119
_symmetry_Int_Tables_number   1
_cell_volume   270.687
_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
  Sn  Sn0  1  0.095  0.343  0.216  1.0
  Sn  Sn1  1  0.905  0.657  0.784  1.0
  P  P2  1  0.339  0.613  0.650  1.0
  P  P3  1  0.661  0.387  0.350  1.0
  P  P4  1  0.227  0.864  0.247  1.0
  P  P5  1  0.773  0.136  0.753  1.0
  O  O6  1  0.408  0.393  0.210  1.0
  O  O7  1  0.586  0.089  0.819  1.0
  O  O8  1  0.414  0.911  0.181  1.0
  O  O9  1  0.930  0.966  0.762  1.0
  O  O10  1  0.310  0.792  0.486  1.0
  O  O11  1  0.222  0.660  0.790  1.0
  O  O12  1  0.052  0.668  0.120  1.0
  O  O13  1  0.592  0.607  0.790  1.0
  O  O14  1  0.690  0.208  0.514  1.0
  O  O15  1  0.235  0.411  0.526  1.0
  O  O16  1  0.070  0.034  0.238  1.0
  O  O17  1  0.948  0.332  0.880  1.0
  O  O18  1  0.778  0.340  0.210  1.0
  O  O19  1  0.765  0.589  0.474  1.0
[/CIF]
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The compound described by SnP2O7 crystallizes in the triclinic P-1 space group. Sn(1) is bonded to one O(1), one O(3), one O(5), one O(7), and two equivalent O(6) atoms to form SnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Sn(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Sn(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-47°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Sn(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-59°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one P(2) 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 bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Sn(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.473
_cell_length_b   6.536
_cell_length_c   7.032
_cell_angle_alpha   88.391
_cell_angle_beta   114.005
_cell_angle_gamma   95.119
_symmetry_Int_Tables_number   1
_cell_volume   270.687
_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
  Sn  Sn0  1  0.095  0.343  0.216  1.0
  Sn  Sn1  1  0.905  0.657  0.784  1.0
  P  P2  1  0.339  0.613  0.650  1.0
  P  P3  1  0.661  0.387  0.350  1.0
  P  P4  1  0.227  0.864  0.247  1.0
  P  P5  1  0.773  0.136  0.753  1.0
  O  O6  1  0.408  0.393  0.210  1.0
  O  O7  1  0.586  0.089  0.819  1.0
  O  O8  1  0.414  0.911  0.181  1.0
  O  O9  1  0.930  0.966  0.762  1.0
  O  O10  1  0.310  0.792  0.486  1.0
  O  O11  1  0.222  0.660  0.790  1.0
  O  O12  1  0.052  0.668  0.120  1.0
  O  O13  1  0.592  0.607  0.790  1.0
  O  O14  1  0.690  0.208  0.514  1.0
  O  O15  1  0.235  0.411  0.526  1.0
  O  O16  1  0.070  0.034  0.238  1.0
  O  O17  1  0.948  0.332  0.880  1.0
  O  O18  1  0.778  0.340  0.210  1.0
  O  O19  1  0.765  0.589  0.474  1.0
[/CIF]
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