The compound described by CaPdP2O7 crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded to one O(1), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form CaO6 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 Ca(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-64°. 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 Ca(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 10-58°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to one Ca(1), one Pd(1), and one P(1) atom. In the second O site, O(1) is bonded in a linear geometry to one Ca(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 bent 150 degrees geometry to one Ca(1) and one P(1) atom. In the fifth O site, O(4) is bonded in a trigonal planar geometry to one Ca(1), one Pd(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaP2PdO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.967
_cell_length_b   7.297
_cell_length_c   13.127
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   571.544
_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
  Ca  Ca0  1  0.250  0.741  0.244  1.0
  Ca  Ca1  1  0.750  0.259  0.756  1.0
  Ca  Ca2  1  0.750  0.241  0.256  1.0
  Ca  Ca3  1  0.250  0.759  0.744  1.0
  P  P4  1  0.250  0.292  0.125  1.0
  P  P5  1  0.750  0.708  0.875  1.0
  P  P6  1  0.750  0.792  0.375  1.0
  P  P7  1  0.250  0.208  0.625  1.0
  P  P8  1  0.250  0.172  0.405  1.0
  P  P9  1  0.750  0.828  0.595  1.0
  P  P10  1  0.750  0.672  0.095  1.0
  P  P11  1  0.250  0.328  0.905  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  0.016  0.332  1.0
  O  O17  1  0.750  0.984  0.668  1.0
  O  O18  1  0.750  0.516  0.168  1.0
  O  O19  1  0.250  0.484  0.832  1.0
  O  O20  1  0.250  0.409  0.020  1.0
  O  O21  1  0.750  0.591  0.980  1.0
  O  O22  1  0.750  0.909  0.480  1.0
  O  O23  1  0.250  0.091  0.520  1.0
  O  O24  1  0.250  0.427  0.211  1.0
  O  O25  1  0.750  0.573  0.789  1.0
  O  O26  1  0.750  0.927  0.289  1.0
  O  O27  1  0.250  0.073  0.711  1.0
  O  O28  1  0.030  0.287  0.398  1.0
  O  O29  1  0.970  0.713  0.602  1.0
  O  O30  1  0.970  0.787  0.102  1.0
  O  O31  1  0.530  0.713  0.602  1.0
  O  O32  1  0.030  0.213  0.898  1.0
  O  O33  1  0.470  0.287  0.398  1.0
  O  O34  1  0.470  0.213  0.898  1.0
  O  O35  1  0.530  0.787  0.102  1.0
  O  O36  1  0.034  0.171  0.124  1.0
  O  O37  1  0.966  0.829  0.876  1.0
  O  O38  1  0.966  0.671  0.376  1.0
  O  O39  1  0.534  0.829  0.876  1.0
  O  O40  1  0.034  0.329  0.624  1.0
  O  O41  1  0.466  0.171  0.124  1.0
  O  O42  1  0.466  0.329  0.624  1.0
  O  O43  1  0.534  0.671  0.376  1.0
[/CIF]
.
The compound described by CaPdP2O7 crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded to one O(1), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form CaO6 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 Ca(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-64°. 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 Ca(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 10-58°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to one Ca(1), one Pd(1), and one P(1) atom. In the second O site, O(1) is bonded in a linear geometry to one Ca(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 bent 150 degrees geometry to one Ca(1) and one P(1) atom. In the fifth O site, O(4) is bonded in a trigonal planar geometry to one Ca(1), one Pd(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaP2PdO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.967
_cell_length_b   7.297
_cell_length_c   13.127
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   571.544
_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
  Ca  Ca0  1  0.250  0.741  0.244  1.0
  Ca  Ca1  1  0.750  0.259  0.756  1.0
  Ca  Ca2  1  0.750  0.241  0.256  1.0
  Ca  Ca3  1  0.250  0.759  0.744  1.0
  P  P4  1  0.250  0.292  0.125  1.0
  P  P5  1  0.750  0.708  0.875  1.0
  P  P6  1  0.750  0.792  0.375  1.0
  P  P7  1  0.250  0.208  0.625  1.0
  P  P8  1  0.250  0.172  0.405  1.0
  P  P9  1  0.750  0.828  0.595  1.0
  P  P10  1  0.750  0.672  0.095  1.0
  P  P11  1  0.250  0.328  0.905  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  0.016  0.332  1.0
  O  O17  1  0.750  0.984  0.668  1.0
  O  O18  1  0.750  0.516  0.168  1.0
  O  O19  1  0.250  0.484  0.832  1.0
  O  O20  1  0.250  0.409  0.020  1.0
  O  O21  1  0.750  0.591  0.980  1.0
  O  O22  1  0.750  0.909  0.480  1.0
  O  O23  1  0.250  0.091  0.520  1.0
  O  O24  1  0.250  0.427  0.211  1.0
  O  O25  1  0.750  0.573  0.789  1.0
  O  O26  1  0.750  0.927  0.289  1.0
  O  O27  1  0.250  0.073  0.711  1.0
  O  O28  1  0.030  0.287  0.398  1.0
  O  O29  1  0.970  0.713  0.602  1.0
  O  O30  1  0.970  0.787  0.102  1.0
  O  O31  1  0.530  0.713  0.602  1.0
  O  O32  1  0.030  0.213  0.898  1.0
  O  O33  1  0.470  0.287  0.398  1.0
  O  O34  1  0.470  0.213  0.898  1.0
  O  O35  1  0.530  0.787  0.102  1.0
  O  O36  1  0.034  0.171  0.124  1.0
  O  O37  1  0.966  0.829  0.876  1.0
  O  O38  1  0.966  0.671  0.376  1.0
  O  O39  1  0.534  0.829  0.876  1.0
  O  O40  1  0.034  0.329  0.624  1.0
  O  O41  1  0.466  0.171  0.124  1.0
  O  O42  1  0.466  0.329  0.624  1.0
  O  O43  1  0.534  0.671  0.376  1.0
[/CIF]
.