The compound described by Li2Cu2P4O13 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded to one O(4), one O(5), one O(6), one O(8), and two equivalent O(9) atoms to form distorted LiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with three equivalent P(4)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one Cu(1)O5 trigonal bipyramid. Cu(1) is bonded to one O(2), one O(4), one O(5), and two equivalent O(1) atoms to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Cu(1)O5 trigonal bipyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form PO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra and corners with six equivalent Cu(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(6), one O(8), and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Cu(1)O5 trigonal bipyramids, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. In the third P site, P(3) is bonded to one O(3), one O(7), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 48°. In the fourth P site, P(4) is bonded to one O(7), one O(8), and two equivalent O(9) atoms to form PO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-63°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cu(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a linear geometry to one P(3) and one P(4) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one P(2), and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one P(4) atom. is represented by the CIF file [CIF]
data_Li2Cu2P4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.462
_cell_length_b   4.721
_cell_length_c   11.777
_cell_angle_alpha   84.235
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   468.054
_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  0.062  0.011  0.616  1.0
  Li  Li1  1  0.438  0.011  0.616  1.0
  Li  Li2  1  0.562  0.989  0.384  1.0
  Li  Li3  1  0.938  0.989  0.384  1.0
  Cu  Cu4  1  0.476  0.017  0.873  1.0
  Cu  Cu5  1  0.024  0.017  0.873  1.0
  Cu  Cu6  1  0.976  0.983  0.127  1.0
  Cu  Cu7  1  0.524  0.983  0.127  1.0
  P  P8  1  0.750  0.584  0.988  1.0
  P  P9  1  0.250  0.453  0.709  1.0
  P  P10  1  0.750  0.709  0.746  1.0
  P  P11  1  0.750  0.373  0.526  1.0
  P  P12  1  0.250  0.627  0.474  1.0
  P  P13  1  0.250  0.291  0.254  1.0
  P  P14  1  0.750  0.547  0.291  1.0
  P  P15  1  0.250  0.416  0.012  1.0
  O  O16  1  0.598  0.775  0.994  1.0
  O  O17  1  0.902  0.775  0.994  1.0
  O  O18  1  0.250  0.684  0.932  1.0
  O  O19  1  0.750  0.482  0.859  1.0
  O  O20  1  0.596  0.874  0.746  1.0
  O  O21  1  0.904  0.874  0.746  1.0
  O  O22  1  0.403  0.313  0.758  1.0
  O  O23  1  0.097  0.313  0.758  1.0
  O  O24  1  0.250  0.775  0.695  1.0
  O  O25  1  0.750  0.528  0.643  1.0
  O  O26  1  0.250  0.359  0.573  1.0
  O  O27  1  0.097  0.785  0.478  1.0
  O  O28  1  0.403  0.785  0.478  1.0
  O  O29  1  0.903  0.215  0.522  1.0
  O  O30  1  0.597  0.215  0.522  1.0
  O  O31  1  0.750  0.641  0.427  1.0
  O  O32  1  0.250  0.472  0.357  1.0
  O  O33  1  0.750  0.225  0.305  1.0
  O  O34  1  0.597  0.687  0.242  1.0
  O  O35  1  0.903  0.687  0.242  1.0
  O  O36  1  0.096  0.126  0.254  1.0
  O  O37  1  0.404  0.126  0.254  1.0
  O  O38  1  0.250  0.518  0.141  1.0
  O  O39  1  0.750  0.316  0.068  1.0
  O  O40  1  0.098  0.225  0.006  1.0
  O  O41  1  0.402  0.225  0.006  1.0
[/CIF]
.
The compound described by Li2Cu2P4O13 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded to one O(4), one O(5), one O(6), one O(8), and two equivalent O(9) atoms to form distorted LiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with three equivalent P(4)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one Cu(1)O5 trigonal bipyramid. Cu(1) is bonded to one O(2), one O(4), one O(5), and two equivalent O(1) atoms to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Cu(1)O5 trigonal bipyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form PO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra and corners with six equivalent Cu(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(6), one O(8), and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Cu(1)O5 trigonal bipyramids, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. In the third P site, P(3) is bonded to one O(3), one O(7), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 48°. In the fourth P site, P(4) is bonded to one O(7), one O(8), and two equivalent O(9) atoms to form PO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-63°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cu(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a linear geometry to one P(3) and one P(4) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one P(2), and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one P(4) atom. is represented by the CIF file [CIF]
data_Li2Cu2P4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.462
_cell_length_b   4.721
_cell_length_c   11.777
_cell_angle_alpha   84.235
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   468.054
_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  0.062  0.011  0.616  1.0
  Li  Li1  1  0.438  0.011  0.616  1.0
  Li  Li2  1  0.562  0.989  0.384  1.0
  Li  Li3  1  0.938  0.989  0.384  1.0
  Cu  Cu4  1  0.476  0.017  0.873  1.0
  Cu  Cu5  1  0.024  0.017  0.873  1.0
  Cu  Cu6  1  0.976  0.983  0.127  1.0
  Cu  Cu7  1  0.524  0.983  0.127  1.0
  P  P8  1  0.750  0.584  0.988  1.0
  P  P9  1  0.250  0.453  0.709  1.0
  P  P10  1  0.750  0.709  0.746  1.0
  P  P11  1  0.750  0.373  0.526  1.0
  P  P12  1  0.250  0.627  0.474  1.0
  P  P13  1  0.250  0.291  0.254  1.0
  P  P14  1  0.750  0.547  0.291  1.0
  P  P15  1  0.250  0.416  0.012  1.0
  O  O16  1  0.598  0.775  0.994  1.0
  O  O17  1  0.902  0.775  0.994  1.0
  O  O18  1  0.250  0.684  0.932  1.0
  O  O19  1  0.750  0.482  0.859  1.0
  O  O20  1  0.596  0.874  0.746  1.0
  O  O21  1  0.904  0.874  0.746  1.0
  O  O22  1  0.403  0.313  0.758  1.0
  O  O23  1  0.097  0.313  0.758  1.0
  O  O24  1  0.250  0.775  0.695  1.0
  O  O25  1  0.750  0.528  0.643  1.0
  O  O26  1  0.250  0.359  0.573  1.0
  O  O27  1  0.097  0.785  0.478  1.0
  O  O28  1  0.403  0.785  0.478  1.0
  O  O29  1  0.903  0.215  0.522  1.0
  O  O30  1  0.597  0.215  0.522  1.0
  O  O31  1  0.750  0.641  0.427  1.0
  O  O32  1  0.250  0.472  0.357  1.0
  O  O33  1  0.750  0.225  0.305  1.0
  O  O34  1  0.597  0.687  0.242  1.0
  O  O35  1  0.903  0.687  0.242  1.0
  O  O36  1  0.096  0.126  0.254  1.0
  O  O37  1  0.404  0.126  0.254  1.0
  O  O38  1  0.250  0.518  0.141  1.0
  O  O39  1  0.750  0.316  0.068  1.0
  O  O40  1  0.098  0.225  0.006  1.0
  O  O41  1  0.402  0.225  0.006  1.0
[/CIF]
.