The material described by Li2Cu3(P2O7)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(5), one O(6), and one O(7) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), one O(4), one O(5), one O(7), and two equivalent O(3) 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  an edgeedge with one Cu(2)O6 octahedra. In the second Cu site, Cu(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form CuO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four 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(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with three equivalent Cu(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-60°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent Cu(1)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-61°. 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 4-coordinate geometry to one Li(1), one Cu(1), one Cu(2), 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 to one Li(1), one Cu(1), one Cu(2), and one P(2) atom to form distorted corner-sharing OLiCu2P trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li2Cu3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.043
_cell_length_b   7.241
_cell_length_c   9.292
_cell_angle_alpha   72.343
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   515.676
_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
  Li  Li0  1  0.589  0.298  0.127  1.0
  Li  Li1  1  0.411  0.702  0.873  1.0
  Li  Li2  1  0.089  0.702  0.373  1.0
  Li  Li3  1  0.911  0.298  0.627  1.0
  Cu  Cu4  1  0.622  0.192  0.480  1.0
  Cu  Cu5  1  0.122  0.808  0.020  1.0
  Cu  Cu6  1  0.378  0.808  0.520  1.0
  Cu  Cu7  1  0.878  0.192  0.980  1.0
  Cu  Cu8  1  0.000  0.000  0.500  1.0
  Cu  Cu9  1  0.500  0.000  0.000  1.0
  P  P10  1  0.538  0.406  0.717  1.0
  P  P11  1  0.213  0.108  0.198  1.0
  P  P12  1  0.962  0.406  0.217  1.0
  P  P13  1  0.462  0.594  0.283  1.0
  P  P14  1  0.787  0.892  0.802  1.0
  P  P15  1  0.713  0.892  0.302  1.0
  P  P16  1  0.287  0.108  0.698  1.0
  P  P17  1  0.038  0.594  0.783  1.0
  O  O18  1  0.642  0.683  0.310  1.0
  O  O19  1  0.596  0.303  0.877  1.0
  O  O20  1  0.089  0.015  0.115  1.0
  O  O21  1  0.142  0.317  0.190  1.0
  O  O22  1  0.287  0.991  0.869  1.0
  O  O23  1  0.003  0.620  0.195  1.0
  O  O24  1  0.497  0.620  0.695  1.0
  O  O25  1  0.883  0.858  0.377  1.0
  O  O26  1  0.997  0.380  0.805  1.0
  O  O27  1  0.589  0.985  0.385  1.0
  O  O28  1  0.658  0.375  0.597  1.0
  O  O29  1  0.158  0.625  0.903  1.0
  O  O30  1  0.503  0.380  0.305  1.0
  O  O31  1  0.713  0.009  0.131  1.0
  O  O32  1  0.096  0.697  0.623  1.0
  O  O33  1  0.617  0.858  0.877  1.0
  O  O34  1  0.858  0.683  0.810  1.0
  O  O35  1  0.904  0.303  0.377  1.0
  O  O36  1  0.411  0.015  0.615  1.0
  O  O37  1  0.213  0.991  0.369  1.0
  O  O38  1  0.787  0.009  0.631  1.0
  O  O39  1  0.911  0.985  0.885  1.0
  O  O40  1  0.842  0.375  0.097  1.0
  O  O41  1  0.358  0.317  0.690  1.0
  O  O42  1  0.342  0.625  0.403  1.0
  O  O43  1  0.117  0.142  0.623  1.0
  O  O44  1  0.404  0.697  0.123  1.0
  O  O45  1  0.383  0.142  0.123  1.0
[/CIF]
.
The material described by Li2Cu3(P2O7)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(5), one O(6), and one O(7) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), one O(4), one O(5), one O(7), and two equivalent O(3) 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  an edgeedge with one Cu(2)O6 octahedra. In the second Cu site, Cu(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form CuO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four 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(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with three equivalent Cu(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-60°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent Cu(1)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-61°. 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 4-coordinate geometry to one Li(1), one Cu(1), one Cu(2), 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 to one Li(1), one Cu(1), one Cu(2), and one P(2) atom to form distorted corner-sharing OLiCu2P trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li2Cu3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.043
_cell_length_b   7.241
_cell_length_c   9.292
_cell_angle_alpha   72.343
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   515.676
_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
  Li  Li0  1  0.589  0.298  0.127  1.0
  Li  Li1  1  0.411  0.702  0.873  1.0
  Li  Li2  1  0.089  0.702  0.373  1.0
  Li  Li3  1  0.911  0.298  0.627  1.0
  Cu  Cu4  1  0.622  0.192  0.480  1.0
  Cu  Cu5  1  0.122  0.808  0.020  1.0
  Cu  Cu6  1  0.378  0.808  0.520  1.0
  Cu  Cu7  1  0.878  0.192  0.980  1.0
  Cu  Cu8  1  0.000  0.000  0.500  1.0
  Cu  Cu9  1  0.500  0.000  0.000  1.0
  P  P10  1  0.538  0.406  0.717  1.0
  P  P11  1  0.213  0.108  0.198  1.0
  P  P12  1  0.962  0.406  0.217  1.0
  P  P13  1  0.462  0.594  0.283  1.0
  P  P14  1  0.787  0.892  0.802  1.0
  P  P15  1  0.713  0.892  0.302  1.0
  P  P16  1  0.287  0.108  0.698  1.0
  P  P17  1  0.038  0.594  0.783  1.0
  O  O18  1  0.642  0.683  0.310  1.0
  O  O19  1  0.596  0.303  0.877  1.0
  O  O20  1  0.089  0.015  0.115  1.0
  O  O21  1  0.142  0.317  0.190  1.0
  O  O22  1  0.287  0.991  0.869  1.0
  O  O23  1  0.003  0.620  0.195  1.0
  O  O24  1  0.497  0.620  0.695  1.0
  O  O25  1  0.883  0.858  0.377  1.0
  O  O26  1  0.997  0.380  0.805  1.0
  O  O27  1  0.589  0.985  0.385  1.0
  O  O28  1  0.658  0.375  0.597  1.0
  O  O29  1  0.158  0.625  0.903  1.0
  O  O30  1  0.503  0.380  0.305  1.0
  O  O31  1  0.713  0.009  0.131  1.0
  O  O32  1  0.096  0.697  0.623  1.0
  O  O33  1  0.617  0.858  0.877  1.0
  O  O34  1  0.858  0.683  0.810  1.0
  O  O35  1  0.904  0.303  0.377  1.0
  O  O36  1  0.411  0.015  0.615  1.0
  O  O37  1  0.213  0.991  0.369  1.0
  O  O38  1  0.787  0.009  0.631  1.0
  O  O39  1  0.911  0.985  0.885  1.0
  O  O40  1  0.842  0.375  0.097  1.0
  O  O41  1  0.358  0.317  0.690  1.0
  O  O42  1  0.342  0.625  0.403  1.0
  O  O43  1  0.117  0.142  0.623  1.0
  O  O44  1  0.404  0.697  0.123  1.0
  O  O45  1  0.383  0.142  0.123  1.0
[/CIF]
.