The structure described by PbCuP2O7 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted CuO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. Pb(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(7), and two equivalent O(1) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with two equivalent Cu(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent Cu(1)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Pb(1), and one P(2) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to one Cu(1), one Pb(1), and one P(2) atom. In the third O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Pb(1), and one P(2) atom. In the fourth O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(1) atom. In the fifth O site, O(2) is bonded in a 2-coordinate geometry to one Cu(1), one Pb(1), and one P(1) atom. In the sixth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cu(1), one Pb(1), and one P(1) atom. In the seventh O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF file [CIF]
data_CuP2PbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.283
_cell_length_b   5.538
_cell_length_c   13.774
_cell_angle_alpha   67.172
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   582.360
_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
  Cu  Cu0  1  0.644  0.672  0.113  1.0
  Cu  Cu1  1  0.144  0.328  0.387  1.0
  Cu  Cu2  1  0.356  0.328  0.887  1.0
  Cu  Cu3  1  0.856  0.672  0.613  1.0
  P  P4  1  0.963  0.406  0.839  1.0
  P  P5  1  0.463  0.594  0.661  1.0
  P  P6  1  0.037  0.594  0.161  1.0
  P  P7  1  0.537  0.406  0.339  1.0
  P  P8  1  0.695  0.333  0.988  1.0
  P  P9  1  0.195  0.667  0.512  1.0
  P  P10  1  0.305  0.667  0.012  1.0
  P  P11  1  0.805  0.333  0.488  1.0
  Pb  Pb12  1  0.831  0.014  0.277  1.0
  Pb  Pb13  1  0.331  0.986  0.223  1.0
  Pb  Pb14  1  0.169  0.986  0.723  1.0
  Pb  Pb15  1  0.669  0.014  0.777  1.0
  O  O16  1  0.942  0.175  0.805  1.0
  O  O17  1  0.442  0.825  0.695  1.0
  O  O18  1  0.058  0.825  0.195  1.0
  O  O19  1  0.558  0.175  0.305  1.0
  O  O20  1  0.878  0.659  0.763  1.0
  O  O21  1  0.378  0.341  0.737  1.0
  O  O22  1  0.122  0.341  0.237  1.0
  O  O23  1  0.622  0.659  0.263  1.0
  O  O24  1  0.139  0.477  0.849  1.0
  O  O25  1  0.639  0.523  0.651  1.0
  O  O26  1  0.861  0.523  0.151  1.0
  O  O27  1  0.361  0.477  0.349  1.0
  O  O28  1  0.883  0.327  0.953  1.0
  O  O29  1  0.383  0.673  0.547  1.0
  O  O30  1  0.117  0.673  0.047  1.0
  O  O31  1  0.617  0.327  0.453  1.0
  O  O32  1  0.836  0.616  0.480  1.0
  O  O33  1  0.336  0.384  0.020  1.0
  O  O34  1  0.164  0.384  0.520  1.0
  O  O35  1  0.664  0.616  0.980  1.0
  O  O36  1  0.817  0.119  0.597  1.0
  O  O37  1  0.317  0.881  0.903  1.0
  O  O38  1  0.183  0.881  0.403  1.0
  O  O39  1  0.683  0.119  0.097  1.0
  O  O40  1  0.906  0.280  0.403  1.0
  O  O41  1  0.406  0.720  0.097  1.0
  O  O42  1  0.094  0.720  0.597  1.0
  O  O43  1  0.594  0.280  0.903  1.0
[/CIF]
.
The structure described by PbCuP2O7 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted CuO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. Pb(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(7), and two equivalent O(1) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with two equivalent Cu(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent Cu(1)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Pb(1), and one P(2) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to one Cu(1), one Pb(1), and one P(2) atom. In the third O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Pb(1), and one P(2) atom. In the fourth O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(1) atom. In the fifth O site, O(2) is bonded in a 2-coordinate geometry to one Cu(1), one Pb(1), and one P(1) atom. In the sixth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cu(1), one Pb(1), and one P(1) atom. In the seventh O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF file [CIF]
data_CuP2PbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.283
_cell_length_b   5.538
_cell_length_c   13.774
_cell_angle_alpha   67.172
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   582.360
_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
  Cu  Cu0  1  0.644  0.672  0.113  1.0
  Cu  Cu1  1  0.144  0.328  0.387  1.0
  Cu  Cu2  1  0.356  0.328  0.887  1.0
  Cu  Cu3  1  0.856  0.672  0.613  1.0
  P  P4  1  0.963  0.406  0.839  1.0
  P  P5  1  0.463  0.594  0.661  1.0
  P  P6  1  0.037  0.594  0.161  1.0
  P  P7  1  0.537  0.406  0.339  1.0
  P  P8  1  0.695  0.333  0.988  1.0
  P  P9  1  0.195  0.667  0.512  1.0
  P  P10  1  0.305  0.667  0.012  1.0
  P  P11  1  0.805  0.333  0.488  1.0
  Pb  Pb12  1  0.831  0.014  0.277  1.0
  Pb  Pb13  1  0.331  0.986  0.223  1.0
  Pb  Pb14  1  0.169  0.986  0.723  1.0
  Pb  Pb15  1  0.669  0.014  0.777  1.0
  O  O16  1  0.942  0.175  0.805  1.0
  O  O17  1  0.442  0.825  0.695  1.0
  O  O18  1  0.058  0.825  0.195  1.0
  O  O19  1  0.558  0.175  0.305  1.0
  O  O20  1  0.878  0.659  0.763  1.0
  O  O21  1  0.378  0.341  0.737  1.0
  O  O22  1  0.122  0.341  0.237  1.0
  O  O23  1  0.622  0.659  0.263  1.0
  O  O24  1  0.139  0.477  0.849  1.0
  O  O25  1  0.639  0.523  0.651  1.0
  O  O26  1  0.861  0.523  0.151  1.0
  O  O27  1  0.361  0.477  0.349  1.0
  O  O28  1  0.883  0.327  0.953  1.0
  O  O29  1  0.383  0.673  0.547  1.0
  O  O30  1  0.117  0.673  0.047  1.0
  O  O31  1  0.617  0.327  0.453  1.0
  O  O32  1  0.836  0.616  0.480  1.0
  O  O33  1  0.336  0.384  0.020  1.0
  O  O34  1  0.164  0.384  0.520  1.0
  O  O35  1  0.664  0.616  0.980  1.0
  O  O36  1  0.817  0.119  0.597  1.0
  O  O37  1  0.317  0.881  0.903  1.0
  O  O38  1  0.183  0.881  0.403  1.0
  O  O39  1  0.683  0.119  0.097  1.0
  O  O40  1  0.906  0.280  0.403  1.0
  O  O41  1  0.406  0.720  0.097  1.0
  O  O42  1  0.094  0.720  0.597  1.0
  O  O43  1  0.594  0.280  0.903  1.0
[/CIF]
.