The crystal structure described by Cu3(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 in a 5-coordinate geometry to one O(2), one O(5), one O(6), and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CuO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Cu(2)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-62°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF card [CIF]
data_Cu3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.513
_cell_length_b   6.996
_cell_length_c   9.428
_cell_angle_alpha   69.941
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   527.487
_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
  Cu  Cu0  1  0.871  0.193  0.983  1.0
  Cu  Cu1  1  0.371  0.807  0.517  1.0
  Cu  Cu2  1  0.629  0.193  0.483  1.0
  Cu  Cu3  1  0.129  0.807  0.017  1.0
  Cu  Cu4  1  0.000  0.000  0.500  1.0
  Cu  Cu5  1  0.500  0.000  0.000  1.0
  P  P6  1  0.488  0.605  0.294  1.0
  P  P7  1  0.271  0.087  0.700  1.0
  P  P8  1  0.012  0.605  0.794  1.0
  P  P9  1  0.771  0.913  0.800  1.0
  P  P10  1  0.512  0.395  0.706  1.0
  P  P11  1  0.229  0.087  0.200  1.0
  P  P12  1  0.729  0.913  0.300  1.0
  P  P13  1  0.988  0.395  0.206  1.0
  O  O14  1  0.932  0.285  0.367  1.0
  O  O15  1  0.870  0.374  0.087  1.0
  O  O16  1  0.107  0.998  0.118  1.0
  O  O17  1  0.108  0.113  0.634  1.0
  O  O18  1  0.773  0.017  0.624  1.0
  O  O19  1  0.892  0.887  0.366  1.0
  O  O20  1  0.568  0.285  0.867  1.0
  O  O21  1  0.607  0.002  0.382  1.0
  O  O22  1  0.273  0.983  0.876  1.0
  O  O23  1  0.370  0.626  0.413  1.0
  O  O24  1  0.893  0.002  0.882  1.0
  O  O25  1  0.985  0.377  0.821  1.0
  O  O26  1  0.727  0.017  0.124  1.0
  O  O27  1  0.158  0.308  0.182  1.0
  O  O28  1  0.342  0.308  0.682  1.0
  O  O29  1  0.485  0.623  0.679  1.0
  O  O30  1  0.608  0.887  0.866  1.0
  O  O31  1  0.393  0.998  0.618  1.0
  O  O32  1  0.130  0.626  0.913  1.0
  O  O33  1  0.515  0.377  0.321  1.0
  O  O34  1  0.392  0.113  0.134  1.0
  O  O35  1  0.015  0.623  0.179  1.0
  O  O36  1  0.227  0.983  0.376  1.0
  O  O37  1  0.068  0.715  0.633  1.0
  O  O38  1  0.842  0.692  0.818  1.0
  O  O39  1  0.630  0.374  0.587  1.0
  O  O40  1  0.432  0.715  0.133  1.0
  O  O41  1  0.658  0.692  0.318  1.0
[/CIF]
.
The crystal structure described by Cu3(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 in a 5-coordinate geometry to one O(2), one O(5), one O(6), and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CuO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Cu(2)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-62°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF card [CIF]
data_Cu3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.513
_cell_length_b   6.996
_cell_length_c   9.428
_cell_angle_alpha   69.941
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   527.487
_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
  Cu  Cu0  1  0.871  0.193  0.983  1.0
  Cu  Cu1  1  0.371  0.807  0.517  1.0
  Cu  Cu2  1  0.629  0.193  0.483  1.0
  Cu  Cu3  1  0.129  0.807  0.017  1.0
  Cu  Cu4  1  0.000  0.000  0.500  1.0
  Cu  Cu5  1  0.500  0.000  0.000  1.0
  P  P6  1  0.488  0.605  0.294  1.0
  P  P7  1  0.271  0.087  0.700  1.0
  P  P8  1  0.012  0.605  0.794  1.0
  P  P9  1  0.771  0.913  0.800  1.0
  P  P10  1  0.512  0.395  0.706  1.0
  P  P11  1  0.229  0.087  0.200  1.0
  P  P12  1  0.729  0.913  0.300  1.0
  P  P13  1  0.988  0.395  0.206  1.0
  O  O14  1  0.932  0.285  0.367  1.0
  O  O15  1  0.870  0.374  0.087  1.0
  O  O16  1  0.107  0.998  0.118  1.0
  O  O17  1  0.108  0.113  0.634  1.0
  O  O18  1  0.773  0.017  0.624  1.0
  O  O19  1  0.892  0.887  0.366  1.0
  O  O20  1  0.568  0.285  0.867  1.0
  O  O21  1  0.607  0.002  0.382  1.0
  O  O22  1  0.273  0.983  0.876  1.0
  O  O23  1  0.370  0.626  0.413  1.0
  O  O24  1  0.893  0.002  0.882  1.0
  O  O25  1  0.985  0.377  0.821  1.0
  O  O26  1  0.727  0.017  0.124  1.0
  O  O27  1  0.158  0.308  0.182  1.0
  O  O28  1  0.342  0.308  0.682  1.0
  O  O29  1  0.485  0.623  0.679  1.0
  O  O30  1  0.608  0.887  0.866  1.0
  O  O31  1  0.393  0.998  0.618  1.0
  O  O32  1  0.130  0.626  0.913  1.0
  O  O33  1  0.515  0.377  0.321  1.0
  O  O34  1  0.392  0.113  0.134  1.0
  O  O35  1  0.015  0.623  0.179  1.0
  O  O36  1  0.227  0.983  0.376  1.0
  O  O37  1  0.068  0.715  0.633  1.0
  O  O38  1  0.842  0.692  0.818  1.0
  O  O39  1  0.630  0.374  0.587  1.0
  O  O40  1  0.432  0.715  0.133  1.0
  O  O41  1  0.658  0.692  0.318  1.0
[/CIF]
.