The crystal structure described by PdZnP2O7 crystallizes in the orthorhombic Pnma space group. Pd(1) is bonded in a square co-planar geometry to two equivalent O(4) and two equivalent O(5) atoms. Zn(1) is bonded to one O(1), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form ZnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. 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 Zn(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-56°. 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 Zn(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-58°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a trigonal planar geometry to one Pd(1), one Zn(1), and one P(1) atom. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one Zn(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 bent 150 degrees geometry to one Zn(1) and one P(1) atom. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Pd(1), one Zn(1), and one P(2) atom. is represented by the CIF card [CIF]
data_ZnP2PdO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.956
_cell_length_b   6.858
_cell_length_c   7.727
_cell_angle_alpha   116.345
_cell_angle_beta   112.667
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   255.353
_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
  O  O0  1  0.549  0.315  0.598  1.0
  O  O1  1  0.451  0.685  0.402  1.0
  O  O2  1  0.951  0.717  0.402  1.0
  O  O3  1  0.049  0.283  0.598  1.0
  O  O4  1  0.250  0.443  0.000  1.0
  O  O5  1  0.750  0.557  0.000  1.0
  O  O6  1  0.413  0.673  0.764  1.0
  O  O7  1  0.587  0.327  0.236  1.0
  O  O8  1  0.087  0.910  0.236  1.0
  O  O9  1  0.149  0.327  0.236  1.0
  O  O10  1  0.913  0.090  0.764  1.0
  O  O11  1  0.851  0.673  0.764  1.0
  O  O12  1  0.351  0.090  0.764  1.0
  O  O13  1  0.649  0.910  0.236  1.0
  P  P14  1  0.365  0.447  0.229  1.0
  P  P15  1  0.635  0.553  0.771  1.0
  P  P16  1  0.135  0.218  0.771  1.0
  P  P17  1  0.865  0.782  0.229  1.0
  Pd  Pd18  1  0.000  0.000  0.000  1.0
  Pd  Pd19  1  0.500  0.000  0.000  1.0
  Zn  Zn20  1  0.500  1.000  0.500  1.0
  Zn  Zn21  1  1.000  0.500  0.500  1.0
[/CIF]
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The crystal structure described by PdZnP2O7 crystallizes in the orthorhombic Pnma space group. Pd(1) is bonded in a square co-planar geometry to two equivalent O(4) and two equivalent O(5) atoms. Zn(1) is bonded to one O(1), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form ZnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. 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 Zn(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-56°. 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 Zn(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-58°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a trigonal planar geometry to one Pd(1), one Zn(1), and one P(1) atom. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one Zn(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 bent 150 degrees geometry to one Zn(1) and one P(1) atom. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Pd(1), one Zn(1), and one P(2) atom. is represented by the CIF card [CIF]
data_ZnP2PdO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.956
_cell_length_b   6.858
_cell_length_c   7.727
_cell_angle_alpha   116.345
_cell_angle_beta   112.667
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   255.353
_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
  O  O0  1  0.549  0.315  0.598  1.0
  O  O1  1  0.451  0.685  0.402  1.0
  O  O2  1  0.951  0.717  0.402  1.0
  O  O3  1  0.049  0.283  0.598  1.0
  O  O4  1  0.250  0.443  0.000  1.0
  O  O5  1  0.750  0.557  0.000  1.0
  O  O6  1  0.413  0.673  0.764  1.0
  O  O7  1  0.587  0.327  0.236  1.0
  O  O8  1  0.087  0.910  0.236  1.0
  O  O9  1  0.149  0.327  0.236  1.0
  O  O10  1  0.913  0.090  0.764  1.0
  O  O11  1  0.851  0.673  0.764  1.0
  O  O12  1  0.351  0.090  0.764  1.0
  O  O13  1  0.649  0.910  0.236  1.0
  P  P14  1  0.365  0.447  0.229  1.0
  P  P15  1  0.635  0.553  0.771  1.0
  P  P16  1  0.135  0.218  0.771  1.0
  P  P17  1  0.865  0.782  0.229  1.0
  Pd  Pd18  1  0.000  0.000  0.000  1.0
  Pd  Pd19  1  0.500  0.000  0.000  1.0
  Zn  Zn20  1  0.500  1.000  0.500  1.0
  Zn  Zn21  1  1.000  0.500  0.500  1.0
[/CIF]
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