The material described by Sn2P2O7 crystallizes in the monoclinic P2_1/c space group. Sn(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing PO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Sn(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent P(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sn2P2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.655
_cell_length_b   5.188
_cell_length_c   7.360
_cell_angle_alpha   65.206
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   334.699
_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  0.382  0.353  0.866  1.0
  Sn  Sn1  1  0.882  0.647  0.634  1.0
  Sn  Sn2  1  0.618  0.647  0.134  1.0
  Sn  Sn3  1  0.118  0.353  0.366  1.0
  P  P4  1  0.392  0.882  0.393  1.0
  P  P5  1  0.608  0.118  0.607  1.0
  P  P6  1  0.892  0.118  0.107  1.0
  P  P7  1  0.108  0.882  0.893  1.0
  O  O8  1  0.855  0.417  0.962  1.0
  O  O9  1  0.645  0.417  0.462  1.0
  O  O10  1  0.539  0.105  0.797  1.0
  O  O11  1  0.731  0.917  0.669  1.0
  O  O12  1  0.145  0.583  0.038  1.0
  O  O13  1  0.269  0.083  0.331  1.0
  O  O14  1  0.231  0.083  0.831  1.0
  O  O15  1  0.461  0.895  0.203  1.0
  O  O16  1  0.000  0.000  0.000  1.0
  O  O17  1  0.355  0.583  0.538  1.0
  O  O18  1  0.039  0.895  0.703  1.0
  O  O19  1  0.500  0.000  0.500  1.0
  O  O20  1  0.769  0.917  0.169  1.0
  O  O21  1  0.961  0.105  0.297  1.0
[/CIF]
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The material described by Sn2P2O7 crystallizes in the monoclinic P2_1/c space group. Sn(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing PO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Sn(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent P(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sn2P2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.655
_cell_length_b   5.188
_cell_length_c   7.360
_cell_angle_alpha   65.206
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   334.699
_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  0.382  0.353  0.866  1.0
  Sn  Sn1  1  0.882  0.647  0.634  1.0
  Sn  Sn2  1  0.618  0.647  0.134  1.0
  Sn  Sn3  1  0.118  0.353  0.366  1.0
  P  P4  1  0.392  0.882  0.393  1.0
  P  P5  1  0.608  0.118  0.607  1.0
  P  P6  1  0.892  0.118  0.107  1.0
  P  P7  1  0.108  0.882  0.893  1.0
  O  O8  1  0.855  0.417  0.962  1.0
  O  O9  1  0.645  0.417  0.462  1.0
  O  O10  1  0.539  0.105  0.797  1.0
  O  O11  1  0.731  0.917  0.669  1.0
  O  O12  1  0.145  0.583  0.038  1.0
  O  O13  1  0.269  0.083  0.331  1.0
  O  O14  1  0.231  0.083  0.831  1.0
  O  O15  1  0.461  0.895  0.203  1.0
  O  O16  1  0.000  0.000  0.000  1.0
  O  O17  1  0.355  0.583  0.538  1.0
  O  O18  1  0.039  0.895  0.703  1.0
  O  O19  1  0.500  0.000  0.500  1.0
  O  O20  1  0.769  0.917  0.169  1.0
  O  O21  1  0.961  0.105  0.297  1.0
[/CIF]
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