The compound described by CuZnP2O7 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to one O(3), one O(5), one O(6), one O(7), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, and edges with two equivalent Zn(1)O5 trigonal bipyramids. Zn(1) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form ZnO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Cu(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Cu(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-57°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Cu(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with three equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-51°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Zn(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1), one Zn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cu(1), one Zn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Cu(1), one Zn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Cu(1), one Zn(1), and one P(1) atom. is represented by the CIF card [CIF]
data_ZnCuP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.294
_cell_length_b   6.991
_cell_length_c   9.340
_cell_angle_alpha   70.449
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   510.330
_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
  Zn  Zn0  1  0.940  0.311  0.814  1.0
  Zn  Zn1  1  0.440  0.689  0.686  1.0
  Zn  Zn2  1  0.560  0.311  0.314  1.0
  Zn  Zn3  1  0.060  0.689  0.186  1.0
  Cu  Cu4  1  0.068  0.766  0.610  1.0
  Cu  Cu5  1  0.932  0.234  0.390  1.0
  Cu  Cu6  1  0.568  0.234  0.890  1.0
  Cu  Cu7  1  0.432  0.766  0.110  1.0
  P  P8  1  0.733  0.930  0.246  1.0
  P  P9  1  0.232  0.463  0.974  1.0
  P  P10  1  0.767  0.930  0.746  1.0
  P  P11  1  0.268  0.463  0.474  1.0
  P  P12  1  0.233  0.070  0.254  1.0
  P  P13  1  0.732  0.537  0.526  1.0
  P  P14  1  0.768  0.537  0.026  1.0
  P  P15  1  0.267  0.070  0.754  1.0
  O  O16  1  0.187  0.253  0.101  1.0
  O  O17  1  0.609  0.885  0.685  1.0
  O  O18  1  0.891  0.885  0.185  1.0
  O  O19  1  0.394  0.447  0.896  1.0
  O  O20  1  0.813  0.747  0.899  1.0
  O  O21  1  0.091  0.047  0.364  1.0
  O  O22  1  0.606  0.553  0.104  1.0
  O  O23  1  0.092  0.504  0.863  1.0
  O  O24  1  0.255  0.625  0.553  1.0
  O  O25  1  0.909  0.953  0.636  1.0
  O  O26  1  0.409  0.047  0.864  1.0
  O  O27  1  0.758  0.119  0.796  1.0
  O  O28  1  0.258  0.881  0.704  1.0
  O  O29  1  0.313  0.253  0.601  1.0
  O  O30  1  0.591  0.953  0.136  1.0
  O  O31  1  0.109  0.115  0.815  1.0
  O  O32  1  0.242  0.881  0.204  1.0
  O  O33  1  0.908  0.496  0.137  1.0
  O  O34  1  0.245  0.625  0.053  1.0
  O  O35  1  0.755  0.375  0.947  1.0
  O  O36  1  0.894  0.553  0.604  1.0
  O  O37  1  0.408  0.504  0.363  1.0
  O  O38  1  0.592  0.496  0.637  1.0
  O  O39  1  0.391  0.115  0.315  1.0
  O  O40  1  0.742  0.119  0.296  1.0
  O  O41  1  0.106  0.447  0.396  1.0
  O  O42  1  0.745  0.375  0.447  1.0
  O  O43  1  0.687  0.747  0.399  1.0
[/CIF]
.
The compound described by CuZnP2O7 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to one O(3), one O(5), one O(6), one O(7), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, and edges with two equivalent Zn(1)O5 trigonal bipyramids. Zn(1) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form ZnO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Cu(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Cu(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-57°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Cu(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with three equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-51°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Zn(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1), one Zn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cu(1), one Zn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Cu(1), one Zn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Cu(1), one Zn(1), and one P(1) atom. is represented by the CIF card [CIF]
data_ZnCuP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.294
_cell_length_b   6.991
_cell_length_c   9.340
_cell_angle_alpha   70.449
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   510.330
_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
  Zn  Zn0  1  0.940  0.311  0.814  1.0
  Zn  Zn1  1  0.440  0.689  0.686  1.0
  Zn  Zn2  1  0.560  0.311  0.314  1.0
  Zn  Zn3  1  0.060  0.689  0.186  1.0
  Cu  Cu4  1  0.068  0.766  0.610  1.0
  Cu  Cu5  1  0.932  0.234  0.390  1.0
  Cu  Cu6  1  0.568  0.234  0.890  1.0
  Cu  Cu7  1  0.432  0.766  0.110  1.0
  P  P8  1  0.733  0.930  0.246  1.0
  P  P9  1  0.232  0.463  0.974  1.0
  P  P10  1  0.767  0.930  0.746  1.0
  P  P11  1  0.268  0.463  0.474  1.0
  P  P12  1  0.233  0.070  0.254  1.0
  P  P13  1  0.732  0.537  0.526  1.0
  P  P14  1  0.768  0.537  0.026  1.0
  P  P15  1  0.267  0.070  0.754  1.0
  O  O16  1  0.187  0.253  0.101  1.0
  O  O17  1  0.609  0.885  0.685  1.0
  O  O18  1  0.891  0.885  0.185  1.0
  O  O19  1  0.394  0.447  0.896  1.0
  O  O20  1  0.813  0.747  0.899  1.0
  O  O21  1  0.091  0.047  0.364  1.0
  O  O22  1  0.606  0.553  0.104  1.0
  O  O23  1  0.092  0.504  0.863  1.0
  O  O24  1  0.255  0.625  0.553  1.0
  O  O25  1  0.909  0.953  0.636  1.0
  O  O26  1  0.409  0.047  0.864  1.0
  O  O27  1  0.758  0.119  0.796  1.0
  O  O28  1  0.258  0.881  0.704  1.0
  O  O29  1  0.313  0.253  0.601  1.0
  O  O30  1  0.591  0.953  0.136  1.0
  O  O31  1  0.109  0.115  0.815  1.0
  O  O32  1  0.242  0.881  0.204  1.0
  O  O33  1  0.908  0.496  0.137  1.0
  O  O34  1  0.245  0.625  0.053  1.0
  O  O35  1  0.755  0.375  0.947  1.0
  O  O36  1  0.894  0.553  0.604  1.0
  O  O37  1  0.408  0.504  0.363  1.0
  O  O38  1  0.592  0.496  0.637  1.0
  O  O39  1  0.391  0.115  0.315  1.0
  O  O40  1  0.742  0.119  0.296  1.0
  O  O41  1  0.106  0.447  0.396  1.0
  O  O42  1  0.745  0.375  0.447  1.0
  O  O43  1  0.687  0.747  0.399  1.0
[/CIF]
.