The crystal structure described by LiCu5P3O13 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(11), one O(13), and one O(8) atom. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(2), one O(4), and one O(7) atom. In the second Cu site, Cu(2) is bonded to one O(1), one O(12), one O(3), one O(5), and one O(6) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Cu(5)O5 trigonal bipyramid. In the third Cu site, Cu(3) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(6), one O(7), and one O(9) atom. In the fourth Cu site, Cu(4) is bonded in a rectangular see-saw-like geometry to one O(10), one O(11), one O(13), and one O(8) atom. In the fifth Cu site, Cu(5) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(9) atom to form CuO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, and  an edgeedge with one Cu(2)O5 trigonal bipyramid. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(13), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(5)O5 trigonal bipyramid and corners with three equivalent Cu(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(10), one O(11), one O(7), and one O(8) atom. In the third P site, P(3) is bonded to one O(2), one O(3), one O(4), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O5 trigonal bipyramid and corners with three equivalent Cu(5)O5 trigonal bipyramids. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a tetrahedral geometry to one Cu(1), one Cu(2), one Cu(3), and one Cu(5) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cu(5), and one P(3) atom. In the third O site, O(3) is bonded in a linear geometry to one Cu(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), one Cu(3), one Cu(5), and one P(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(5), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(4), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Cu(3), one Cu(5), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(4) and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(4), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(4), and one P(1) atom. is represented by the CIF file [CIF]
data_LiCu5P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.248
_cell_length_b   8.242
_cell_length_c   9.906
_cell_angle_alpha   92.351
_cell_angle_beta   90.232
_cell_angle_gamma   90.358
_symmetry_Int_Tables_number   1
_cell_volume   509.700
_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  0.751  0.567  0.545  1.0
  Li  Li1  1  0.249  0.433  0.455  1.0
  Cu  Cu2  1  0.499  0.861  0.215  1.0
  Cu  Cu3  1  0.257  0.568  0.103  1.0
  Cu  Cu4  1  0.996  0.860  0.216  1.0
  Cu  Cu5  1  0.004  0.140  0.784  1.0
  Cu  Cu6  1  0.501  0.139  0.785  1.0
  Cu  Cu7  1  0.749  0.221  0.455  1.0
  Cu  Cu8  1  0.743  0.432  0.897  1.0
  Cu  Cu9  1  0.251  0.779  0.545  1.0
  Cu  Cu10  1  0.255  0.854  0.921  1.0
  Cu  Cu11  1  0.745  0.146  0.079  1.0
  P  P12  1  0.253  0.486  0.769  1.0
  P  P13  1  0.250  0.132  0.508  1.0
  P  P14  1  0.749  0.842  0.886  1.0
  P  P15  1  0.251  0.158  0.114  1.0
  P  P16  1  0.747  0.514  0.231  1.0
  P  P17  1  0.750  0.868  0.492  1.0
  O  O18  1  0.757  0.200  0.884  1.0
  O  O19  1  0.543  0.901  0.813  1.0
  O  O20  1  0.758  0.658  0.879  1.0
  O  O21  1  0.745  0.909  0.037  1.0
  O  O22  1  0.749  0.385  0.111  1.0
  O  O23  1  0.953  0.623  0.220  1.0
  O  O24  1  0.251  0.615  0.889  1.0
  O  O25  1  0.249  0.092  0.664  1.0
  O  O26  1  0.751  0.908  0.336  1.0
  O  O27  1  0.058  0.242  0.473  1.0
  O  O28  1  0.045  0.092  0.185  1.0
  O  O29  1  0.252  0.965  0.430  1.0
  O  O30  1  0.559  0.756  0.524  1.0
  O  O31  1  0.243  0.800  0.116  1.0
  O  O32  1  0.540  0.618  0.220  1.0
  O  O33  1  0.249  0.564  0.629  1.0
  O  O34  1  0.942  0.758  0.527  1.0
  O  O35  1  0.748  0.035  0.570  1.0
  O  O36  1  0.242  0.342  0.121  1.0
  O  O37  1  0.047  0.377  0.780  1.0
  O  O38  1  0.955  0.908  0.815  1.0
  O  O39  1  0.751  0.436  0.371  1.0
  O  O40  1  0.460  0.382  0.780  1.0
  O  O41  1  0.255  0.091  0.963  1.0
  O  O42  1  0.457  0.099  0.187  1.0
  O  O43  1  0.441  0.244  0.476  1.0
[/CIF]
.
The crystal structure described by LiCu5P3O13 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(11), one O(13), and one O(8) atom. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(2), one O(4), and one O(7) atom. In the second Cu site, Cu(2) is bonded to one O(1), one O(12), one O(3), one O(5), and one O(6) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Cu(5)O5 trigonal bipyramid. In the third Cu site, Cu(3) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(6), one O(7), and one O(9) atom. In the fourth Cu site, Cu(4) is bonded in a rectangular see-saw-like geometry to one O(10), one O(11), one O(13), and one O(8) atom. In the fifth Cu site, Cu(5) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(9) atom to form CuO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, and  an edgeedge with one Cu(2)O5 trigonal bipyramid. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(13), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(5)O5 trigonal bipyramid and corners with three equivalent Cu(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(10), one O(11), one O(7), and one O(8) atom. In the third P site, P(3) is bonded to one O(2), one O(3), one O(4), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O5 trigonal bipyramid and corners with three equivalent Cu(5)O5 trigonal bipyramids. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a tetrahedral geometry to one Cu(1), one Cu(2), one Cu(3), and one Cu(5) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cu(5), and one P(3) atom. In the third O site, O(3) is bonded in a linear geometry to one Cu(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), one Cu(3), one Cu(5), and one P(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(5), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(4), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Cu(3), one Cu(5), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(4) and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(4), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(4), and one P(1) atom. is represented by the CIF file [CIF]
data_LiCu5P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.248
_cell_length_b   8.242
_cell_length_c   9.906
_cell_angle_alpha   92.351
_cell_angle_beta   90.232
_cell_angle_gamma   90.358
_symmetry_Int_Tables_number   1
_cell_volume   509.700
_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  0.751  0.567  0.545  1.0
  Li  Li1  1  0.249  0.433  0.455  1.0
  Cu  Cu2  1  0.499  0.861  0.215  1.0
  Cu  Cu3  1  0.257  0.568  0.103  1.0
  Cu  Cu4  1  0.996  0.860  0.216  1.0
  Cu  Cu5  1  0.004  0.140  0.784  1.0
  Cu  Cu6  1  0.501  0.139  0.785  1.0
  Cu  Cu7  1  0.749  0.221  0.455  1.0
  Cu  Cu8  1  0.743  0.432  0.897  1.0
  Cu  Cu9  1  0.251  0.779  0.545  1.0
  Cu  Cu10  1  0.255  0.854  0.921  1.0
  Cu  Cu11  1  0.745  0.146  0.079  1.0
  P  P12  1  0.253  0.486  0.769  1.0
  P  P13  1  0.250  0.132  0.508  1.0
  P  P14  1  0.749  0.842  0.886  1.0
  P  P15  1  0.251  0.158  0.114  1.0
  P  P16  1  0.747  0.514  0.231  1.0
  P  P17  1  0.750  0.868  0.492  1.0
  O  O18  1  0.757  0.200  0.884  1.0
  O  O19  1  0.543  0.901  0.813  1.0
  O  O20  1  0.758  0.658  0.879  1.0
  O  O21  1  0.745  0.909  0.037  1.0
  O  O22  1  0.749  0.385  0.111  1.0
  O  O23  1  0.953  0.623  0.220  1.0
  O  O24  1  0.251  0.615  0.889  1.0
  O  O25  1  0.249  0.092  0.664  1.0
  O  O26  1  0.751  0.908  0.336  1.0
  O  O27  1  0.058  0.242  0.473  1.0
  O  O28  1  0.045  0.092  0.185  1.0
  O  O29  1  0.252  0.965  0.430  1.0
  O  O30  1  0.559  0.756  0.524  1.0
  O  O31  1  0.243  0.800  0.116  1.0
  O  O32  1  0.540  0.618  0.220  1.0
  O  O33  1  0.249  0.564  0.629  1.0
  O  O34  1  0.942  0.758  0.527  1.0
  O  O35  1  0.748  0.035  0.570  1.0
  O  O36  1  0.242  0.342  0.121  1.0
  O  O37  1  0.047  0.377  0.780  1.0
  O  O38  1  0.955  0.908  0.815  1.0
  O  O39  1  0.751  0.436  0.371  1.0
  O  O40  1  0.460  0.382  0.780  1.0
  O  O41  1  0.255  0.091  0.963  1.0
  O  O42  1  0.457  0.099  0.187  1.0
  O  O43  1  0.441  0.244  0.476  1.0
[/CIF]
.