The structure described by Li2Cu3(P2O7)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), and two equivalent O(10) atoms. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(1), one O(10), one O(14), and one O(4) atom. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(13), one O(5), one O(6), one O(8), and one O(9) atom to form distorted CuO5 square pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent P(4)O4 tetrahedra. In the second Cu site, Cu(2) is bonded to one O(1), one O(12), one O(14), one O(2), one O(3), and one O(4) atom to form distorted CuO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the third Cu site, Cu(3) is bonded in a 5-coordinate geometry to one O(13), one O(3), one O(5), one O(8), and one O(9) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Cu(1)O5 square pyramid, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-50°. In the second P site, P(2) is bonded to one O(11), one O(12), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Cu(1)O5 square pyramid, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-51°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(2), 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 57-59°. In the fourth P site, P(4) is bonded to one O(11), one O(13), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with three equivalent Cu(1)O5 square pyramids and  a cornercorner with one P(2)O4 tetrahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Cu(2), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Cu(2), and one P(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(3), and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Cu(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cu(1) and one P(4) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(3), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(3), and one P(4) atom. In the tenth O site, O(10) is bonded to one Li(2), two equivalent Li(1), and one P(3) atom to form distorted edge-sharing OLi3P trigonal pyramids. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Cu(2) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(3), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Li(2), one Cu(2), and one P(3) atom. is represented by the CIF card [CIF]
data_Li2Cu3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.298
_cell_length_b   6.260
_cell_length_c   16.441
_cell_angle_alpha   92.913
_cell_angle_beta   95.876
_cell_angle_gamma   108.487
_symmetry_Int_Tables_number   1
_cell_volume   512.362
_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  0.963  0.234  0.015  1.0
  Li  Li1  1  0.527  0.725  0.879  1.0
  Li  Li2  1  0.473  0.275  0.121  1.0
  Li  Li3  1  0.037  0.766  0.985  1.0
  Cu  Cu4  1  0.233  0.279  0.414  1.0
  Cu  Cu5  1  0.125  0.632  0.176  1.0
  Cu  Cu6  1  0.419  0.970  0.667  1.0
  Cu  Cu7  1  0.581  0.030  0.333  1.0
  Cu  Cu8  1  0.875  0.368  0.824  1.0
  Cu  Cu9  1  0.767  0.721  0.586  1.0
  P  P10  1  0.001  0.093  0.200  1.0
  P  P11  1  0.311  0.430  0.683  1.0
  P  P12  1  0.397  0.243  0.930  1.0
  P  P13  1  0.153  0.769  0.453  1.0
  P  P14  1  0.847  0.231  0.547  1.0
  P  P15  1  0.603  0.757  0.070  1.0
  P  P16  1  0.689  0.570  0.317  1.0
  P  P17  1  0.999  0.907  0.800  1.0
  O  O18  1  0.803  0.042  0.804  1.0
  O  O19  1  0.704  0.310  0.930  1.0
  O  O20  1  0.489  0.286  0.706  1.0
  O  O21  1  0.129  0.314  0.159  1.0
  O  O22  1  0.490  0.669  0.664  1.0
  O  O23  1  0.293  0.593  0.449  1.0
  O  O24  1  0.279  0.029  0.859  1.0
  O  O25  1  0.921  0.124  0.285  1.0
  O  O26  1  0.312  0.984  0.414  1.0
  O  O27  1  0.297  0.138  0.008  1.0
  O  O28  1  0.143  0.316  0.596  1.0
  O  O29  1  0.130  0.460  0.744  1.0
  O  O30  1  0.896  0.167  0.459  1.0
  O  O31  1  0.714  0.569  0.091  1.0
  O  O32  1  0.286  0.431  0.909  1.0
  O  O33  1  0.104  0.833  0.541  1.0
  O  O34  1  0.870  0.540  0.256  1.0
  O  O35  1  0.857  0.684  0.404  1.0
  O  O36  1  0.703  0.862  0.992  1.0
  O  O37  1  0.688  0.016  0.586  1.0
  O  O38  1  0.079  0.876  0.715  1.0
  O  O39  1  0.721  0.971  0.141  1.0
  O  O40  1  0.707  0.407  0.551  1.0
  O  O41  1  0.510  0.331  0.336  1.0
  O  O42  1  0.871  0.686  0.841  1.0
  O  O43  1  0.511  0.714  0.294  1.0
  O  O44  1  0.296  0.690  0.070  1.0
  O  O45  1  0.197  0.958  0.196  1.0
[/CIF]
.
The structure described by Li2Cu3(P2O7)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), and two equivalent O(10) atoms. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(1), one O(10), one O(14), and one O(4) atom. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(13), one O(5), one O(6), one O(8), and one O(9) atom to form distorted CuO5 square pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent P(4)O4 tetrahedra. In the second Cu site, Cu(2) is bonded to one O(1), one O(12), one O(14), one O(2), one O(3), and one O(4) atom to form distorted CuO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the third Cu site, Cu(3) is bonded in a 5-coordinate geometry to one O(13), one O(3), one O(5), one O(8), and one O(9) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Cu(1)O5 square pyramid, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-50°. In the second P site, P(2) is bonded to one O(11), one O(12), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Cu(1)O5 square pyramid, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-51°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(2), 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 57-59°. In the fourth P site, P(4) is bonded to one O(11), one O(13), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with three equivalent Cu(1)O5 square pyramids and  a cornercorner with one P(2)O4 tetrahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Cu(2), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Cu(2), and one P(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(3), and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Cu(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cu(1) and one P(4) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(3), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(3), and one P(4) atom. In the tenth O site, O(10) is bonded to one Li(2), two equivalent Li(1), and one P(3) atom to form distorted edge-sharing OLi3P trigonal pyramids. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Cu(2) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(3), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Li(2), one Cu(2), and one P(3) atom. is represented by the CIF card [CIF]
data_Li2Cu3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.298
_cell_length_b   6.260
_cell_length_c   16.441
_cell_angle_alpha   92.913
_cell_angle_beta   95.876
_cell_angle_gamma   108.487
_symmetry_Int_Tables_number   1
_cell_volume   512.362
_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  0.963  0.234  0.015  1.0
  Li  Li1  1  0.527  0.725  0.879  1.0
  Li  Li2  1  0.473  0.275  0.121  1.0
  Li  Li3  1  0.037  0.766  0.985  1.0
  Cu  Cu4  1  0.233  0.279  0.414  1.0
  Cu  Cu5  1  0.125  0.632  0.176  1.0
  Cu  Cu6  1  0.419  0.970  0.667  1.0
  Cu  Cu7  1  0.581  0.030  0.333  1.0
  Cu  Cu8  1  0.875  0.368  0.824  1.0
  Cu  Cu9  1  0.767  0.721  0.586  1.0
  P  P10  1  0.001  0.093  0.200  1.0
  P  P11  1  0.311  0.430  0.683  1.0
  P  P12  1  0.397  0.243  0.930  1.0
  P  P13  1  0.153  0.769  0.453  1.0
  P  P14  1  0.847  0.231  0.547  1.0
  P  P15  1  0.603  0.757  0.070  1.0
  P  P16  1  0.689  0.570  0.317  1.0
  P  P17  1  0.999  0.907  0.800  1.0
  O  O18  1  0.803  0.042  0.804  1.0
  O  O19  1  0.704  0.310  0.930  1.0
  O  O20  1  0.489  0.286  0.706  1.0
  O  O21  1  0.129  0.314  0.159  1.0
  O  O22  1  0.490  0.669  0.664  1.0
  O  O23  1  0.293  0.593  0.449  1.0
  O  O24  1  0.279  0.029  0.859  1.0
  O  O25  1  0.921  0.124  0.285  1.0
  O  O26  1  0.312  0.984  0.414  1.0
  O  O27  1  0.297  0.138  0.008  1.0
  O  O28  1  0.143  0.316  0.596  1.0
  O  O29  1  0.130  0.460  0.744  1.0
  O  O30  1  0.896  0.167  0.459  1.0
  O  O31  1  0.714  0.569  0.091  1.0
  O  O32  1  0.286  0.431  0.909  1.0
  O  O33  1  0.104  0.833  0.541  1.0
  O  O34  1  0.870  0.540  0.256  1.0
  O  O35  1  0.857  0.684  0.404  1.0
  O  O36  1  0.703  0.862  0.992  1.0
  O  O37  1  0.688  0.016  0.586  1.0
  O  O38  1  0.079  0.876  0.715  1.0
  O  O39  1  0.721  0.971  0.141  1.0
  O  O40  1  0.707  0.407  0.551  1.0
  O  O41  1  0.510  0.331  0.336  1.0
  O  O42  1  0.871  0.686  0.841  1.0
  O  O43  1  0.511  0.714  0.294  1.0
  O  O44  1  0.296  0.690  0.070  1.0
  O  O45  1  0.197  0.958  0.196  1.0
[/CIF]
.