The material described by BaPdP2O7 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded to one O(1), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted BaO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. Pd(1) is bonded in a square co-planar geometry to two equivalent O(4) and two equivalent O(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with three equivalent Ba(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-67°. In the second P site, P(2) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with three equivalent Ba(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 9-58°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to one Ba(1), one Pd(1), and one P(1) atom. In the second O site, O(1) is bonded in a distorted linear geometry to one Ba(1) and one P(2) atom. In the third O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1) and one P(1) atom. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ba(1), one Pd(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaP2PdO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.271
_cell_length_b   7.614
_cell_length_c   14.019
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   669.383
_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
  Ba  Ba0  1  0.250  0.747  0.239  1.0
  Ba  Ba1  1  0.750  0.253  0.761  1.0
  Ba  Ba2  1  0.750  0.247  0.261  1.0
  Ba  Ba3  1  0.250  0.753  0.739  1.0
  P  P4  1  0.250  0.278  0.119  1.0
  P  P5  1  0.750  0.722  0.881  1.0
  P  P6  1  0.750  0.778  0.381  1.0
  P  P7  1  0.250  0.222  0.619  1.0
  P  P8  1  0.250  0.183  0.415  1.0
  P  P9  1  0.750  0.817  0.585  1.0
  P  P10  1  0.750  0.683  0.085  1.0
  P  P11  1  0.250  0.317  0.915  1.0
  Pd  Pd12  1  0.000  0.000  0.000  1.0
  Pd  Pd13  1  0.000  0.500  0.500  1.0
  Pd  Pd14  1  0.500  0.000  0.000  1.0
  Pd  Pd15  1  0.500  0.500  0.500  1.0
  O  O16  1  0.250  0.037  0.344  1.0
  O  O17  1  0.750  0.963  0.656  1.0
  O  O18  1  0.750  0.537  0.156  1.0
  O  O19  1  0.250  0.463  0.844  1.0
  O  O20  1  0.250  0.399  0.023  1.0
  O  O21  1  0.750  0.601  0.977  1.0
  O  O22  1  0.750  0.899  0.477  1.0
  O  O23  1  0.250  0.101  0.523  1.0
  O  O24  1  0.250  0.397  0.204  1.0
  O  O25  1  0.750  0.603  0.796  1.0
  O  O26  1  0.750  0.897  0.296  1.0
  O  O27  1  0.250  0.103  0.704  1.0
  O  O28  1  0.043  0.295  0.408  1.0
  O  O29  1  0.957  0.705  0.592  1.0
  O  O30  1  0.957  0.795  0.092  1.0
  O  O31  1  0.543  0.705  0.592  1.0
  O  O32  1  0.043  0.205  0.908  1.0
  O  O33  1  0.457  0.295  0.408  1.0
  O  O34  1  0.457  0.205  0.908  1.0
  O  O35  1  0.543  0.795  0.092  1.0
  O  O36  1  0.045  0.162  0.116  1.0
  O  O37  1  0.955  0.838  0.884  1.0
  O  O38  1  0.955  0.662  0.384  1.0
  O  O39  1  0.545  0.838  0.884  1.0
  O  O40  1  0.045  0.338  0.616  1.0
  O  O41  1  0.455  0.162  0.116  1.0
  O  O42  1  0.455  0.338  0.616  1.0
  O  O43  1  0.545  0.662  0.384  1.0
[/CIF]
.
The material described by BaPdP2O7 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded to one O(1), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted BaO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. Pd(1) is bonded in a square co-planar geometry to two equivalent O(4) and two equivalent O(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with three equivalent Ba(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-67°. In the second P site, P(2) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with three equivalent Ba(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 9-58°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to one Ba(1), one Pd(1), and one P(1) atom. In the second O site, O(1) is bonded in a distorted linear geometry to one Ba(1) and one P(2) atom. In the third O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1) and one P(1) atom. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ba(1), one Pd(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaP2PdO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.271
_cell_length_b   7.614
_cell_length_c   14.019
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   669.383
_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
  Ba  Ba0  1  0.250  0.747  0.239  1.0
  Ba  Ba1  1  0.750  0.253  0.761  1.0
  Ba  Ba2  1  0.750  0.247  0.261  1.0
  Ba  Ba3  1  0.250  0.753  0.739  1.0
  P  P4  1  0.250  0.278  0.119  1.0
  P  P5  1  0.750  0.722  0.881  1.0
  P  P6  1  0.750  0.778  0.381  1.0
  P  P7  1  0.250  0.222  0.619  1.0
  P  P8  1  0.250  0.183  0.415  1.0
  P  P9  1  0.750  0.817  0.585  1.0
  P  P10  1  0.750  0.683  0.085  1.0
  P  P11  1  0.250  0.317  0.915  1.0
  Pd  Pd12  1  0.000  0.000  0.000  1.0
  Pd  Pd13  1  0.000  0.500  0.500  1.0
  Pd  Pd14  1  0.500  0.000  0.000  1.0
  Pd  Pd15  1  0.500  0.500  0.500  1.0
  O  O16  1  0.250  0.037  0.344  1.0
  O  O17  1  0.750  0.963  0.656  1.0
  O  O18  1  0.750  0.537  0.156  1.0
  O  O19  1  0.250  0.463  0.844  1.0
  O  O20  1  0.250  0.399  0.023  1.0
  O  O21  1  0.750  0.601  0.977  1.0
  O  O22  1  0.750  0.899  0.477  1.0
  O  O23  1  0.250  0.101  0.523  1.0
  O  O24  1  0.250  0.397  0.204  1.0
  O  O25  1  0.750  0.603  0.796  1.0
  O  O26  1  0.750  0.897  0.296  1.0
  O  O27  1  0.250  0.103  0.704  1.0
  O  O28  1  0.043  0.295  0.408  1.0
  O  O29  1  0.957  0.705  0.592  1.0
  O  O30  1  0.957  0.795  0.092  1.0
  O  O31  1  0.543  0.705  0.592  1.0
  O  O32  1  0.043  0.205  0.908  1.0
  O  O33  1  0.457  0.295  0.408  1.0
  O  O34  1  0.457  0.205  0.908  1.0
  O  O35  1  0.543  0.795  0.092  1.0
  O  O36  1  0.045  0.162  0.116  1.0
  O  O37  1  0.955  0.838  0.884  1.0
  O  O38  1  0.955  0.662  0.384  1.0
  O  O39  1  0.545  0.838  0.884  1.0
  O  O40  1  0.045  0.338  0.616  1.0
  O  O41  1  0.455  0.162  0.116  1.0
  O  O42  1  0.455  0.338  0.616  1.0
  O  O43  1  0.545  0.662  0.384  1.0
[/CIF]
.