The crystal structure described by Pd2P2O7 crystallizes in the monoclinic C2/c space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. In the second Pd site, Pd(2) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. 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 bent 120 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Pd(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Pd(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Pd(1), one Pd(2), and one P(1) atom. is represented by the CIF file [CIF]
data_P2Pd2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.102
_cell_length_b   7.102
_cell_length_c   8.029
_cell_angle_alpha   82.907
_cell_angle_beta   82.907
_cell_angle_gamma   43.682
_symmetry_Int_Tables_number   1
_cell_volume   277.178
_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
  P  P0  1  0.268  0.513  0.268  1.0
  P  P1  1  0.732  0.487  0.732  1.0
  P  P2  1  0.487  0.732  0.232  1.0
  P  P3  1  0.513  0.268  0.768  1.0
  Pd  Pd4  1  0.000  0.500  0.000  1.0
  Pd  Pd5  1  0.500  0.000  0.500  1.0
  Pd  Pd6  1  0.000  0.000  0.500  1.0
  Pd  Pd7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.515  0.485  0.250  1.0
  O  O9  1  0.388  0.232  0.288  1.0
  O  O10  1  0.485  0.515  0.750  1.0
  O  O11  1  0.699  0.076  0.909  1.0
  O  O12  1  0.859  0.364  0.909  1.0
  O  O13  1  0.924  0.301  0.591  1.0
  O  O14  1  0.301  0.924  0.091  1.0
  O  O15  1  0.364  0.859  0.409  1.0
  O  O16  1  0.141  0.636  0.091  1.0
  O  O17  1  0.232  0.388  0.788  1.0
  O  O18  1  0.612  0.768  0.712  1.0
  O  O19  1  0.636  0.141  0.591  1.0
  O  O20  1  0.768  0.612  0.212  1.0
  O  O21  1  0.076  0.699  0.409  1.0
[/CIF]
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The crystal structure described by Pd2P2O7 crystallizes in the monoclinic C2/c space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. In the second Pd site, Pd(2) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. 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 bent 120 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Pd(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Pd(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Pd(1), one Pd(2), and one P(1) atom. is represented by the CIF file [CIF]
data_P2Pd2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.102
_cell_length_b   7.102
_cell_length_c   8.029
_cell_angle_alpha   82.907
_cell_angle_beta   82.907
_cell_angle_gamma   43.682
_symmetry_Int_Tables_number   1
_cell_volume   277.178
_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
  P  P0  1  0.268  0.513  0.268  1.0
  P  P1  1  0.732  0.487  0.732  1.0
  P  P2  1  0.487  0.732  0.232  1.0
  P  P3  1  0.513  0.268  0.768  1.0
  Pd  Pd4  1  0.000  0.500  0.000  1.0
  Pd  Pd5  1  0.500  0.000  0.500  1.0
  Pd  Pd6  1  0.000  0.000  0.500  1.0
  Pd  Pd7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.515  0.485  0.250  1.0
  O  O9  1  0.388  0.232  0.288  1.0
  O  O10  1  0.485  0.515  0.750  1.0
  O  O11  1  0.699  0.076  0.909  1.0
  O  O12  1  0.859  0.364  0.909  1.0
  O  O13  1  0.924  0.301  0.591  1.0
  O  O14  1  0.301  0.924  0.091  1.0
  O  O15  1  0.364  0.859  0.409  1.0
  O  O16  1  0.141  0.636  0.091  1.0
  O  O17  1  0.232  0.388  0.788  1.0
  O  O18  1  0.612  0.768  0.712  1.0
  O  O19  1  0.636  0.141  0.591  1.0
  O  O20  1  0.768  0.612  0.212  1.0
  O  O21  1  0.076  0.699  0.409  1.0
[/CIF]
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