The structure described by Li2Cu5(PO4)4 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 7-coordinate geometry to one O(1), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(7) atom to form distorted CuO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a cornercorner with one Cu(3)O5 trigonal bipyramid,  an edgeedge with one Cu(2)O6 octahedra, and  an edgeedge with one Cu(3)O5 trigonal bipyramid. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form CuO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Cu(1)O5 trigonal bipyramids. In the third Cu site, Cu(3) is bonded to one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form distorted CuO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid, and  an edgeedge with one Cu(1)O5 trigonal bipyramid. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Cu(1)O5 trigonal bipyramids, and corners with three equivalent Cu(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 56°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with two equivalent Cu(3)O5 trigonal bipyramids, and corners with three equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-47°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Cu(1), one Cu(2), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(3), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Li(1), one Cu(1), one Cu(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Cu(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Li(1), one Cu(1), one Cu(3), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(2), and one P(2) 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 bent 150 degrees geometry to one Cu(3) and one P(1) atom. is represented by the CIF card [CIF]
data_Li2Cu5(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.164
_cell_length_b   7.854
_cell_length_c   8.216
_cell_angle_alpha   112.186
_cell_angle_beta   88.529
_cell_angle_gamma   100.813
_symmetry_Int_Tables_number   1
_cell_volume   302.717
_cell_formula_units_Z   1
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  0.597  0.055  0.296  1.0
  Li  Li1  1  0.403  0.945  0.704  1.0
  Cu  Cu2  1  0.107  0.251  0.782  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Cu  Cu4  1  0.642  0.408  0.671  1.0
  Cu  Cu5  1  0.358  0.592  0.329  1.0
  Cu  Cu6  1  0.893  0.749  0.218  1.0
  P  P7  1  0.121  0.209  0.424  1.0
  P  P8  1  0.631  0.300  0.031  1.0
  P  P9  1  0.369  0.700  0.969  1.0
  P  P10  1  0.879  0.791  0.576  1.0
  O  O11  1  0.342  0.211  0.965  1.0
  O  O12  1  0.781  0.332  0.874  1.0
  O  O13  1  0.079  0.020  0.255  1.0
  O  O14  1  0.847  0.238  0.496  1.0
  O  O15  1  0.298  0.172  0.556  1.0
  O  O16  1  0.754  0.175  0.101  1.0
  O  O17  1  0.348  0.502  0.818  1.0
  O  O18  1  0.276  0.364  0.374  1.0
  O  O19  1  0.724  0.636  0.626  1.0
  O  O20  1  0.652  0.498  0.182  1.0
  O  O21  1  0.246  0.825  0.899  1.0
  O  O22  1  0.702  0.828  0.444  1.0
  O  O23  1  0.153  0.762  0.504  1.0
  O  O24  1  0.921  0.980  0.745  1.0
  O  O25  1  0.219  0.668  0.126  1.0
  O  O26  1  0.658  0.789  0.035  1.0
[/CIF]
.
The structure described by Li2Cu5(PO4)4 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 7-coordinate geometry to one O(1), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(7) atom to form distorted CuO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a cornercorner with one Cu(3)O5 trigonal bipyramid,  an edgeedge with one Cu(2)O6 octahedra, and  an edgeedge with one Cu(3)O5 trigonal bipyramid. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form CuO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Cu(1)O5 trigonal bipyramids. In the third Cu site, Cu(3) is bonded to one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form distorted CuO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid, and  an edgeedge with one Cu(1)O5 trigonal bipyramid. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Cu(1)O5 trigonal bipyramids, and corners with three equivalent Cu(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 56°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with two equivalent Cu(3)O5 trigonal bipyramids, and corners with three equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-47°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Cu(1), one Cu(2), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(3), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Li(1), one Cu(1), one Cu(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Cu(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Li(1), one Cu(1), one Cu(3), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(2), and one P(2) 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 bent 150 degrees geometry to one Cu(3) and one P(1) atom. is represented by the CIF card [CIF]
data_Li2Cu5(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.164
_cell_length_b   7.854
_cell_length_c   8.216
_cell_angle_alpha   112.186
_cell_angle_beta   88.529
_cell_angle_gamma   100.813
_symmetry_Int_Tables_number   1
_cell_volume   302.717
_cell_formula_units_Z   1
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  0.597  0.055  0.296  1.0
  Li  Li1  1  0.403  0.945  0.704  1.0
  Cu  Cu2  1  0.107  0.251  0.782  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Cu  Cu4  1  0.642  0.408  0.671  1.0
  Cu  Cu5  1  0.358  0.592  0.329  1.0
  Cu  Cu6  1  0.893  0.749  0.218  1.0
  P  P7  1  0.121  0.209  0.424  1.0
  P  P8  1  0.631  0.300  0.031  1.0
  P  P9  1  0.369  0.700  0.969  1.0
  P  P10  1  0.879  0.791  0.576  1.0
  O  O11  1  0.342  0.211  0.965  1.0
  O  O12  1  0.781  0.332  0.874  1.0
  O  O13  1  0.079  0.020  0.255  1.0
  O  O14  1  0.847  0.238  0.496  1.0
  O  O15  1  0.298  0.172  0.556  1.0
  O  O16  1  0.754  0.175  0.101  1.0
  O  O17  1  0.348  0.502  0.818  1.0
  O  O18  1  0.276  0.364  0.374  1.0
  O  O19  1  0.724  0.636  0.626  1.0
  O  O20  1  0.652  0.498  0.182  1.0
  O  O21  1  0.246  0.825  0.899  1.0
  O  O22  1  0.702  0.828  0.444  1.0
  O  O23  1  0.153  0.762  0.504  1.0
  O  O24  1  0.921  0.980  0.745  1.0
  O  O25  1  0.219  0.668  0.126  1.0
  O  O26  1  0.658  0.789  0.035  1.0
[/CIF]
.