The crystal structure described by LiCu2P5O16 crystallizes in the monoclinic Pc space group. Li(1) is bonded to one O(11), one O(13), one O(15), one O(4), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and  an edgeedge with one Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-65°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(11), one O(15), one O(5), one O(6), one O(7), and one O(9) atom to form CuO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the second Cu site, Cu(2) is bonded to one O(1), one O(10), one O(13), one O(3), one O(4), and one O(8) atom to form CuO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(16), one O(2), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 52-54°. In the second P site, P(2) is bonded to one O(11), one O(13), one O(14), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-55°. In the third P site, P(3) is bonded to one O(12), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-49°. In the fourth P site, P(4) is bonded to one O(10), one O(16), one O(3), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, 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 42-52°. In the fifth P site, P(5) is bonded to one O(12), one O(14), one O(15), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 48-54°. There are sixteen 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 150 degrees geometry to one P(1) and one P(3) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(5) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Cu(2) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one P(3) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Li(1), one Cu(2), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one P(2) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCu2P5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.719
_cell_length_b   4.965
_cell_length_c   18.543
_cell_angle_alpha   89.538
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   618.611
_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  0.624  0.264  0.528  1.0
  Li  Li1  1  0.376  0.264  0.028  1.0
  Cu  Cu2  1  0.178  0.256  0.592  1.0
  Cu  Cu3  1  0.822  0.256  0.092  1.0
  Cu  Cu4  1  0.179  0.746  0.908  1.0
  Cu  Cu5  1  0.821  0.746  0.408  1.0
  P  P6  1  0.463  0.266  0.870  1.0
  P  P7  1  0.876  0.767  0.579  1.0
  P  P8  1  0.537  0.266  0.370  1.0
  P  P9  1  0.753  0.995  0.250  1.0
  P  P10  1  0.873  0.229  0.922  1.0
  P  P11  1  0.127  0.229  0.422  1.0
  P  P12  1  0.533  0.740  0.131  1.0
  P  P13  1  0.124  0.767  0.079  1.0
  P  P14  1  0.247  0.995  0.750  1.0
  P  P15  1  0.467  0.740  0.631  1.0
  O  O16  1  0.567  0.564  0.382  1.0
  O  O17  1  0.597  0.189  0.289  1.0
  O  O18  1  0.065  0.935  0.433  1.0
  O  O19  1  0.634  0.082  0.426  1.0
  O  O20  1  0.227  0.348  0.490  1.0
  O  O21  1  0.955  0.608  0.113  1.0
  O  O22  1  0.133  0.156  0.695  1.0
  O  O23  1  0.124  0.843  0.804  1.0
  O  O24  1  0.442  0.444  0.611  1.0
  O  O25  1  0.045  0.608  0.613  1.0
  O  O26  1  0.966  0.402  0.387  1.0
  O  O27  1  0.081  0.069  0.068  1.0
  O  O28  1  0.394  0.783  0.711  1.0
  O  O29  1  0.223  0.634  0.013  1.0
  O  O30  1  0.606  0.783  0.211  1.0
  O  O31  1  0.299  0.773  0.141  1.0
  O  O32  1  0.386  0.949  0.579  1.0
  O  O33  1  0.935  0.935  0.933  1.0
  O  O34  1  0.919  0.069  0.568  1.0
  O  O35  1  0.614  0.949  0.079  1.0
  O  O36  1  0.034  0.402  0.887  1.0
  O  O37  1  0.773  0.348  0.990  1.0
  O  O38  1  0.701  0.773  0.641  1.0
  O  O39  1  0.366  0.082  0.926  1.0
  O  O40  1  0.433  0.564  0.882  1.0
  O  O41  1  0.876  0.843  0.304  1.0
  O  O42  1  0.777  0.634  0.513  1.0
  O  O43  1  0.305  0.216  0.362  1.0
  O  O44  1  0.695  0.216  0.862  1.0
  O  O45  1  0.403  0.189  0.789  1.0
  O  O46  1  0.558  0.444  0.111  1.0
  O  O47  1  0.867  0.156  0.195  1.0
[/CIF]
.
The crystal structure described by LiCu2P5O16 crystallizes in the monoclinic Pc space group. Li(1) is bonded to one O(11), one O(13), one O(15), one O(4), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and  an edgeedge with one Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-65°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(11), one O(15), one O(5), one O(6), one O(7), and one O(9) atom to form CuO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the second Cu site, Cu(2) is bonded to one O(1), one O(10), one O(13), one O(3), one O(4), and one O(8) atom to form CuO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(16), one O(2), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 52-54°. In the second P site, P(2) is bonded to one O(11), one O(13), one O(14), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-55°. In the third P site, P(3) is bonded to one O(12), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-49°. In the fourth P site, P(4) is bonded to one O(10), one O(16), one O(3), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, 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 42-52°. In the fifth P site, P(5) is bonded to one O(12), one O(14), one O(15), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 48-54°. There are sixteen 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 150 degrees geometry to one P(1) and one P(3) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(5) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Cu(2) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one P(3) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Li(1), one Cu(2), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one P(2) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCu2P5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.719
_cell_length_b   4.965
_cell_length_c   18.543
_cell_angle_alpha   89.538
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   618.611
_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  0.624  0.264  0.528  1.0
  Li  Li1  1  0.376  0.264  0.028  1.0
  Cu  Cu2  1  0.178  0.256  0.592  1.0
  Cu  Cu3  1  0.822  0.256  0.092  1.0
  Cu  Cu4  1  0.179  0.746  0.908  1.0
  Cu  Cu5  1  0.821  0.746  0.408  1.0
  P  P6  1  0.463  0.266  0.870  1.0
  P  P7  1  0.876  0.767  0.579  1.0
  P  P8  1  0.537  0.266  0.370  1.0
  P  P9  1  0.753  0.995  0.250  1.0
  P  P10  1  0.873  0.229  0.922  1.0
  P  P11  1  0.127  0.229  0.422  1.0
  P  P12  1  0.533  0.740  0.131  1.0
  P  P13  1  0.124  0.767  0.079  1.0
  P  P14  1  0.247  0.995  0.750  1.0
  P  P15  1  0.467  0.740  0.631  1.0
  O  O16  1  0.567  0.564  0.382  1.0
  O  O17  1  0.597  0.189  0.289  1.0
  O  O18  1  0.065  0.935  0.433  1.0
  O  O19  1  0.634  0.082  0.426  1.0
  O  O20  1  0.227  0.348  0.490  1.0
  O  O21  1  0.955  0.608  0.113  1.0
  O  O22  1  0.133  0.156  0.695  1.0
  O  O23  1  0.124  0.843  0.804  1.0
  O  O24  1  0.442  0.444  0.611  1.0
  O  O25  1  0.045  0.608  0.613  1.0
  O  O26  1  0.966  0.402  0.387  1.0
  O  O27  1  0.081  0.069  0.068  1.0
  O  O28  1  0.394  0.783  0.711  1.0
  O  O29  1  0.223  0.634  0.013  1.0
  O  O30  1  0.606  0.783  0.211  1.0
  O  O31  1  0.299  0.773  0.141  1.0
  O  O32  1  0.386  0.949  0.579  1.0
  O  O33  1  0.935  0.935  0.933  1.0
  O  O34  1  0.919  0.069  0.568  1.0
  O  O35  1  0.614  0.949  0.079  1.0
  O  O36  1  0.034  0.402  0.887  1.0
  O  O37  1  0.773  0.348  0.990  1.0
  O  O38  1  0.701  0.773  0.641  1.0
  O  O39  1  0.366  0.082  0.926  1.0
  O  O40  1  0.433  0.564  0.882  1.0
  O  O41  1  0.876  0.843  0.304  1.0
  O  O42  1  0.777  0.634  0.513  1.0
  O  O43  1  0.305  0.216  0.362  1.0
  O  O44  1  0.695  0.216  0.862  1.0
  O  O45  1  0.403  0.189  0.789  1.0
  O  O46  1  0.558  0.444  0.111  1.0
  O  O47  1  0.867  0.156  0.195  1.0
[/CIF]
.