The structure described by Li3Cu2P5O16 crystallizes in the monoclinic P2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share corners with four equivalent Cu(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-71°. In the second Li site, Li(2) is bonded in a see-saw-like geometry to two equivalent O(5) and two equivalent O(7) atoms. Cu(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form CuO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with four equivalent Li(1)O4 tetrahedra. There are three 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(6) atom to form PO4 tetrahedra that share corners with three equivalent Cu(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-60°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-59°. In the third P site, P(3) is bonded to two equivalent O(7) and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Cu(1), 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(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cu(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Cu(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Cu(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. is represented by the CIF card [CIF]
data_Li3Cu2P5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.018
_cell_length_b   5.103
_cell_length_c   17.522
_cell_angle_alpha   88.890
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   627.495
_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  0.328  0.268  0.963  1.0
  Li  Li1  1  0.672  0.732  0.037  1.0
  Li  Li2  1  0.024  0.500  0.250  1.0
  Li  Li3  1  0.672  0.268  0.463  1.0
  Li  Li4  1  0.328  0.732  0.537  1.0
  Li  Li5  1  0.976  0.500  0.750  1.0
  Cu  Cu6  1  0.170  0.743  0.088  1.0
  Cu  Cu7  1  0.170  0.257  0.412  1.0
  Cu  Cu8  1  0.830  0.743  0.588  1.0
  Cu  Cu9  1  0.830  0.257  0.912  1.0
  P  P10  1  0.874  0.781  0.410  1.0
  P  P11  1  0.467  0.724  0.376  1.0
  P  P12  1  0.247  0.000  0.250  1.0
  P  P13  1  0.467  0.276  0.124  1.0
  P  P14  1  0.126  0.781  0.910  1.0
  P  P15  1  0.533  0.724  0.876  1.0
  P  P16  1  0.753  0.000  0.750  1.0
  P  P17  1  0.874  0.219  0.090  1.0
  P  P18  1  0.126  0.219  0.590  1.0
  P  P19  1  0.533  0.276  0.624  1.0
  O  O20  1  0.806  0.627  0.483  1.0
  O  O21  1  0.912  0.929  0.072  1.0
  O  O22  1  0.388  0.103  0.063  1.0
  O  O23  1  0.806  0.373  0.017  1.0
  O  O24  1  0.194  0.627  0.983  1.0
  O  O25  1  0.612  0.897  0.937  1.0
  O  O26  1  0.088  0.071  0.928  1.0
  O  O27  1  0.555  0.430  0.890  1.0
  O  O28  1  0.981  0.639  0.863  1.0
  O  O29  1  0.317  0.789  0.856  1.0
  O  O30  1  0.866  0.171  0.803  1.0
  O  O31  1  0.615  0.801  0.793  1.0
  O  O32  1  0.615  0.199  0.707  1.0
  O  O33  1  0.866  0.829  0.697  1.0
  O  O34  1  0.317  0.211  0.644  1.0
  O  O35  1  0.981  0.361  0.637  1.0
  O  O36  1  0.555  0.570  0.610  1.0
  O  O37  1  0.019  0.361  0.137  1.0
  O  O38  1  0.612  0.103  0.563  1.0
  O  O39  1  0.194  0.373  0.517  1.0
  O  O40  1  0.088  0.929  0.572  1.0
  O  O41  1  0.388  0.897  0.437  1.0
  O  O42  1  0.912  0.071  0.428  1.0
  O  O43  1  0.445  0.430  0.390  1.0
  O  O44  1  0.019  0.639  0.363  1.0
  O  O45  1  0.683  0.789  0.356  1.0
  O  O46  1  0.134  0.171  0.303  1.0
  O  O47  1  0.385  0.801  0.293  1.0
  O  O48  1  0.385  0.199  0.207  1.0
  O  O49  1  0.134  0.829  0.197  1.0
  O  O50  1  0.683  0.211  0.144  1.0
  O  O51  1  0.445  0.570  0.110  1.0
[/CIF]
.
The structure described by Li3Cu2P5O16 crystallizes in the monoclinic P2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share corners with four equivalent Cu(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-71°. In the second Li site, Li(2) is bonded in a see-saw-like geometry to two equivalent O(5) and two equivalent O(7) atoms. Cu(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form CuO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with four equivalent Li(1)O4 tetrahedra. There are three 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(6) atom to form PO4 tetrahedra that share corners with three equivalent Cu(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-60°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-59°. In the third P site, P(3) is bonded to two equivalent O(7) and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Cu(1), 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(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cu(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Cu(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Cu(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. is represented by the CIF card [CIF]
data_Li3Cu2P5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.018
_cell_length_b   5.103
_cell_length_c   17.522
_cell_angle_alpha   88.890
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   627.495
_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  0.328  0.268  0.963  1.0
  Li  Li1  1  0.672  0.732  0.037  1.0
  Li  Li2  1  0.024  0.500  0.250  1.0
  Li  Li3  1  0.672  0.268  0.463  1.0
  Li  Li4  1  0.328  0.732  0.537  1.0
  Li  Li5  1  0.976  0.500  0.750  1.0
  Cu  Cu6  1  0.170  0.743  0.088  1.0
  Cu  Cu7  1  0.170  0.257  0.412  1.0
  Cu  Cu8  1  0.830  0.743  0.588  1.0
  Cu  Cu9  1  0.830  0.257  0.912  1.0
  P  P10  1  0.874  0.781  0.410  1.0
  P  P11  1  0.467  0.724  0.376  1.0
  P  P12  1  0.247  0.000  0.250  1.0
  P  P13  1  0.467  0.276  0.124  1.0
  P  P14  1  0.126  0.781  0.910  1.0
  P  P15  1  0.533  0.724  0.876  1.0
  P  P16  1  0.753  0.000  0.750  1.0
  P  P17  1  0.874  0.219  0.090  1.0
  P  P18  1  0.126  0.219  0.590  1.0
  P  P19  1  0.533  0.276  0.624  1.0
  O  O20  1  0.806  0.627  0.483  1.0
  O  O21  1  0.912  0.929  0.072  1.0
  O  O22  1  0.388  0.103  0.063  1.0
  O  O23  1  0.806  0.373  0.017  1.0
  O  O24  1  0.194  0.627  0.983  1.0
  O  O25  1  0.612  0.897  0.937  1.0
  O  O26  1  0.088  0.071  0.928  1.0
  O  O27  1  0.555  0.430  0.890  1.0
  O  O28  1  0.981  0.639  0.863  1.0
  O  O29  1  0.317  0.789  0.856  1.0
  O  O30  1  0.866  0.171  0.803  1.0
  O  O31  1  0.615  0.801  0.793  1.0
  O  O32  1  0.615  0.199  0.707  1.0
  O  O33  1  0.866  0.829  0.697  1.0
  O  O34  1  0.317  0.211  0.644  1.0
  O  O35  1  0.981  0.361  0.637  1.0
  O  O36  1  0.555  0.570  0.610  1.0
  O  O37  1  0.019  0.361  0.137  1.0
  O  O38  1  0.612  0.103  0.563  1.0
  O  O39  1  0.194  0.373  0.517  1.0
  O  O40  1  0.088  0.929  0.572  1.0
  O  O41  1  0.388  0.897  0.437  1.0
  O  O42  1  0.912  0.071  0.428  1.0
  O  O43  1  0.445  0.430  0.390  1.0
  O  O44  1  0.019  0.639  0.363  1.0
  O  O45  1  0.683  0.789  0.356  1.0
  O  O46  1  0.134  0.171  0.303  1.0
  O  O47  1  0.385  0.801  0.293  1.0
  O  O48  1  0.385  0.199  0.207  1.0
  O  O49  1  0.134  0.829  0.197  1.0
  O  O50  1  0.683  0.211  0.144  1.0
  O  O51  1  0.445  0.570  0.110  1.0
[/CIF]
.