The material described by Sn2P2O7 crystallizes in the triclinic P-1 space group. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one O(10), one O(12), and one O(9) atom. In the second Sn site, Sn(2) is bonded in a distorted T-shaped geometry to one O(13), one O(4), and one O(7) atom. In the third Sn site, Sn(3) is bonded in a distorted T-shaped geometry to one O(11), one O(5), and one O(8) atom. In the fourth Sn site, Sn(4) is bonded in a distorted T-shaped geometry to one O(1), one O(3), and one O(6) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(14), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(14), one O(3), one O(7), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(11), one O(12), one O(13), and one O(2) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sn(4) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Sn(4) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Sn(2) and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sn(3) and one P(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Sn(4) and one P(4) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Sn(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Sn(3) and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Sn(1) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Sn(3) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Sn(2) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sn2P2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.288
_cell_length_b   11.526
_cell_length_c   11.657
_cell_angle_alpha   101.647
_cell_angle_beta   99.078
_cell_angle_gamma   98.646
_symmetry_Int_Tables_number   1
_cell_volume   674.741
_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
  Sn  Sn0  1  0.267  0.500  0.141  1.0
  Sn  Sn1  1  0.827  0.152  0.022  1.0
  Sn  Sn2  1  0.733  0.500  0.859  1.0
  Sn  Sn3  1  0.173  0.848  0.978  1.0
  Sn  Sn4  1  0.234  0.366  0.469  1.0
  Sn  Sn5  1  0.686  0.946  0.369  1.0
  Sn  Sn6  1  0.314  0.054  0.631  1.0
  Sn  Sn7  1  0.766  0.634  0.531  1.0
  P  P8  1  0.824  0.280  0.649  1.0
  P  P9  1  0.794  0.730  0.146  1.0
  P  P10  1  0.309  0.673  0.743  1.0
  P  P11  1  0.691  0.327  0.257  1.0
  P  P12  1  0.716  0.884  0.746  1.0
  P  P13  1  0.284  0.116  0.254  1.0
  P  P14  1  0.176  0.720  0.351  1.0
  P  P15  1  0.206  0.270  0.854  1.0
  O  O16  1  0.585  0.185  0.585  1.0
  O  O17  1  0.438  0.812  0.757  1.0
  O  O18  1  0.347  0.174  0.799  1.0
  O  O19  1  0.890  0.915  0.869  1.0
  O  O20  1  0.415  0.815  0.415  1.0
  O  O21  1  0.827  0.807  0.653  1.0
  O  O22  1  0.173  0.193  0.347  1.0
  O  O23  1  0.347  0.002  0.287  1.0
  O  O24  1  0.154  0.254  0.976  1.0
  O  O25  1  0.048  0.271  0.583  1.0
  O  O26  1  0.952  0.729  0.417  1.0
  O  O27  1  0.339  0.396  0.858  1.0
  O  O28  1  0.758  0.405  0.680  1.0
  O  O29  1  0.845  0.374  0.383  1.0
  O  O30  1  0.653  0.826  0.201  1.0
  O  O31  1  0.653  0.998  0.713  1.0
  O  O32  1  0.532  0.607  0.764  1.0
  O  O33  1  0.661  0.604  0.142  1.0
  O  O34  1  0.139  0.681  0.838  1.0
  O  O35  1  0.861  0.319  0.162  1.0
  O  O36  1  0.242  0.595  0.320  1.0
  O  O37  1  0.918  0.247  0.775  1.0
  O  O38  1  0.562  0.188  0.243  1.0
  O  O39  1  0.082  0.753  0.225  1.0
  O  O40  1  0.110  0.085  0.131  1.0
  O  O41  1  0.155  0.626  0.617  1.0
  O  O42  1  0.468  0.393  0.236  1.0
  O  O43  1  0.846  0.746  0.024  1.0
[/CIF]
.
The material described by Sn2P2O7 crystallizes in the triclinic P-1 space group. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one O(10), one O(12), and one O(9) atom. In the second Sn site, Sn(2) is bonded in a distorted T-shaped geometry to one O(13), one O(4), and one O(7) atom. In the third Sn site, Sn(3) is bonded in a distorted T-shaped geometry to one O(11), one O(5), and one O(8) atom. In the fourth Sn site, Sn(4) is bonded in a distorted T-shaped geometry to one O(1), one O(3), and one O(6) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(14), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(14), one O(3), one O(7), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(11), one O(12), one O(13), and one O(2) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sn(4) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Sn(4) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Sn(2) and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sn(3) and one P(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Sn(4) and one P(4) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Sn(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Sn(3) and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Sn(1) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Sn(3) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Sn(2) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sn2P2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.288
_cell_length_b   11.526
_cell_length_c   11.657
_cell_angle_alpha   101.647
_cell_angle_beta   99.078
_cell_angle_gamma   98.646
_symmetry_Int_Tables_number   1
_cell_volume   674.741
_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
  Sn  Sn0  1  0.267  0.500  0.141  1.0
  Sn  Sn1  1  0.827  0.152  0.022  1.0
  Sn  Sn2  1  0.733  0.500  0.859  1.0
  Sn  Sn3  1  0.173  0.848  0.978  1.0
  Sn  Sn4  1  0.234  0.366  0.469  1.0
  Sn  Sn5  1  0.686  0.946  0.369  1.0
  Sn  Sn6  1  0.314  0.054  0.631  1.0
  Sn  Sn7  1  0.766  0.634  0.531  1.0
  P  P8  1  0.824  0.280  0.649  1.0
  P  P9  1  0.794  0.730  0.146  1.0
  P  P10  1  0.309  0.673  0.743  1.0
  P  P11  1  0.691  0.327  0.257  1.0
  P  P12  1  0.716  0.884  0.746  1.0
  P  P13  1  0.284  0.116  0.254  1.0
  P  P14  1  0.176  0.720  0.351  1.0
  P  P15  1  0.206  0.270  0.854  1.0
  O  O16  1  0.585  0.185  0.585  1.0
  O  O17  1  0.438  0.812  0.757  1.0
  O  O18  1  0.347  0.174  0.799  1.0
  O  O19  1  0.890  0.915  0.869  1.0
  O  O20  1  0.415  0.815  0.415  1.0
  O  O21  1  0.827  0.807  0.653  1.0
  O  O22  1  0.173  0.193  0.347  1.0
  O  O23  1  0.347  0.002  0.287  1.0
  O  O24  1  0.154  0.254  0.976  1.0
  O  O25  1  0.048  0.271  0.583  1.0
  O  O26  1  0.952  0.729  0.417  1.0
  O  O27  1  0.339  0.396  0.858  1.0
  O  O28  1  0.758  0.405  0.680  1.0
  O  O29  1  0.845  0.374  0.383  1.0
  O  O30  1  0.653  0.826  0.201  1.0
  O  O31  1  0.653  0.998  0.713  1.0
  O  O32  1  0.532  0.607  0.764  1.0
  O  O33  1  0.661  0.604  0.142  1.0
  O  O34  1  0.139  0.681  0.838  1.0
  O  O35  1  0.861  0.319  0.162  1.0
  O  O36  1  0.242  0.595  0.320  1.0
  O  O37  1  0.918  0.247  0.775  1.0
  O  O38  1  0.562  0.188  0.243  1.0
  O  O39  1  0.082  0.753  0.225  1.0
  O  O40  1  0.110  0.085  0.131  1.0
  O  O41  1  0.155  0.626  0.617  1.0
  O  O42  1  0.468  0.393  0.236  1.0
  O  O43  1  0.846  0.746  0.024  1.0
[/CIF]
.