The compound described by Cu3Zn(P2O7)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(3), one O(5), one O(6), and two equivalent O(7) atoms to form distorted CuO5 square pyramids that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Cu(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 77°. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form distorted CuO6 octahedra that share corners with two equivalent Cu(1)O5 square pyramids, corners with two equivalent P(1)O4 tetrahedra, and corners with four equivalent P(2)O4 tetrahedra. Zn(1) is bonded in a linear geometry to two equivalent O(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Cu(1)O5 square pyramids, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 66°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent Cu(1)O5 square pyramids, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-56°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one P(1) atom. In the second O site, O(6) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one P(2) atom. In the third O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one P(2) atom. In the fourth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one P(2) atom. In the fifth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cu(2), one Zn(1), and one P(1) atom. In the sixth O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the seventh O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnCu3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.936
_cell_length_b   7.155
_cell_length_c   9.351
_cell_angle_alpha   73.020
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   507.823
_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
  Zn  Zn0  1  0.000  0.500  0.000  1.0
  Zn  Zn1  1  0.500  0.500  0.500  1.0
  Cu  Cu2  1  0.135  0.827  0.502  1.0
  Cu  Cu3  1  0.635  0.173  0.998  1.0
  Cu  Cu4  1  0.865  0.173  0.498  1.0
  Cu  Cu5  1  0.365  0.827  0.002  1.0
  Cu  Cu6  1  0.000  0.000  0.000  1.0
  Cu  Cu7  1  0.500  0.000  0.500  1.0
  P  P8  1  0.958  0.428  0.698  1.0
  P  P9  1  0.458  0.572  0.802  1.0
  P  P10  1  0.042  0.572  0.302  1.0
  P  P11  1  0.542  0.428  0.198  1.0
  P  P12  1  0.212  0.115  0.698  1.0
  P  P13  1  0.712  0.885  0.802  1.0
  P  P14  1  0.788  0.885  0.302  1.0
  P  P15  1  0.288  0.115  0.198  1.0
  O  O16  1  0.387  0.153  0.625  1.0
  O  O17  1  0.887  0.847  0.875  1.0
  O  O18  1  0.613  0.847  0.375  1.0
  O  O19  1  0.113  0.153  0.125  1.0
  O  O20  1  0.426  0.639  0.629  1.0
  O  O21  1  0.926  0.361  0.871  1.0
  O  O22  1  0.574  0.361  0.371  1.0
  O  O23  1  0.074  0.639  0.129  1.0
  O  O24  1  0.817  0.346  0.622  1.0
  O  O25  1  0.317  0.654  0.878  1.0
  O  O26  1  0.183  0.654  0.378  1.0
  O  O27  1  0.683  0.346  0.122  1.0
  O  O28  1  0.135  0.330  0.674  1.0
  O  O29  1  0.635  0.670  0.826  1.0
  O  O30  1  0.865  0.670  0.326  1.0
  O  O31  1  0.365  0.330  0.174  1.0
  O  O32  1  0.513  0.644  0.143  1.0
  O  O33  1  0.013  0.356  0.357  1.0
  O  O34  1  0.487  0.356  0.857  1.0
  O  O35  1  0.987  0.644  0.643  1.0
  O  O36  1  0.789  0.974  0.128  1.0
  O  O37  1  0.289  0.026  0.372  1.0
  O  O38  1  0.211  0.026  0.872  1.0
  O  O39  1  0.711  0.974  0.628  1.0
  O  O40  1  0.406  0.006  0.122  1.0
  O  O41  1  0.906  0.994  0.378  1.0
  O  O42  1  0.594  0.994  0.878  1.0
  O  O43  1  0.094  0.006  0.622  1.0
[/CIF]
.
The compound described by Cu3Zn(P2O7)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(3), one O(5), one O(6), and two equivalent O(7) atoms to form distorted CuO5 square pyramids that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Cu(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 77°. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form distorted CuO6 octahedra that share corners with two equivalent Cu(1)O5 square pyramids, corners with two equivalent P(1)O4 tetrahedra, and corners with four equivalent P(2)O4 tetrahedra. Zn(1) is bonded in a linear geometry to two equivalent O(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Cu(1)O5 square pyramids, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 66°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent Cu(1)O5 square pyramids, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-56°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one P(1) atom. In the second O site, O(6) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one P(2) atom. In the third O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one P(2) atom. In the fourth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one P(2) atom. In the fifth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cu(2), one Zn(1), and one P(1) atom. In the sixth O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the seventh O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnCu3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.936
_cell_length_b   7.155
_cell_length_c   9.351
_cell_angle_alpha   73.020
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   507.823
_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
  Zn  Zn0  1  0.000  0.500  0.000  1.0
  Zn  Zn1  1  0.500  0.500  0.500  1.0
  Cu  Cu2  1  0.135  0.827  0.502  1.0
  Cu  Cu3  1  0.635  0.173  0.998  1.0
  Cu  Cu4  1  0.865  0.173  0.498  1.0
  Cu  Cu5  1  0.365  0.827  0.002  1.0
  Cu  Cu6  1  0.000  0.000  0.000  1.0
  Cu  Cu7  1  0.500  0.000  0.500  1.0
  P  P8  1  0.958  0.428  0.698  1.0
  P  P9  1  0.458  0.572  0.802  1.0
  P  P10  1  0.042  0.572  0.302  1.0
  P  P11  1  0.542  0.428  0.198  1.0
  P  P12  1  0.212  0.115  0.698  1.0
  P  P13  1  0.712  0.885  0.802  1.0
  P  P14  1  0.788  0.885  0.302  1.0
  P  P15  1  0.288  0.115  0.198  1.0
  O  O16  1  0.387  0.153  0.625  1.0
  O  O17  1  0.887  0.847  0.875  1.0
  O  O18  1  0.613  0.847  0.375  1.0
  O  O19  1  0.113  0.153  0.125  1.0
  O  O20  1  0.426  0.639  0.629  1.0
  O  O21  1  0.926  0.361  0.871  1.0
  O  O22  1  0.574  0.361  0.371  1.0
  O  O23  1  0.074  0.639  0.129  1.0
  O  O24  1  0.817  0.346  0.622  1.0
  O  O25  1  0.317  0.654  0.878  1.0
  O  O26  1  0.183  0.654  0.378  1.0
  O  O27  1  0.683  0.346  0.122  1.0
  O  O28  1  0.135  0.330  0.674  1.0
  O  O29  1  0.635  0.670  0.826  1.0
  O  O30  1  0.865  0.670  0.326  1.0
  O  O31  1  0.365  0.330  0.174  1.0
  O  O32  1  0.513  0.644  0.143  1.0
  O  O33  1  0.013  0.356  0.357  1.0
  O  O34  1  0.487  0.356  0.857  1.0
  O  O35  1  0.987  0.644  0.643  1.0
  O  O36  1  0.789  0.974  0.128  1.0
  O  O37  1  0.289  0.026  0.372  1.0
  O  O38  1  0.211  0.026  0.872  1.0
  O  O39  1  0.711  0.974  0.628  1.0
  O  O40  1  0.406  0.006  0.122  1.0
  O  O41  1  0.906  0.994  0.378  1.0
  O  O42  1  0.594  0.994  0.878  1.0
  O  O43  1  0.094  0.006  0.622  1.0
[/CIF]
.