The compound described by LiCu5(PO4)2 crystallizes in the monoclinic Pm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(7) atoms to form LiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent Cu(2)O4 trigonal pyramids, and corners with two equivalent Cu(3)O4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(10), one O(11), and two equivalent O(5) atoms to form LiO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Cu(5)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with four equivalent Cu(2)O4 trigonal pyramids. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(4), and two equivalent O(8) atoms to form distorted CuO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with four equivalent Cu(5)O4 tetrahedra, corners with two equivalent Cu(2)O4 trigonal pyramids, and corners with two equivalent Cu(3)O4 trigonal pyramids. In the second Cu site, Cu(2) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form distorted CuO4 trigonal pyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Cu(5)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Cu(1)O4 trigonal pyramid, and corners with two equivalent Cu(2)O4 trigonal pyramids. In the third Cu site, Cu(3) is bonded to one O(4), one O(6), one O(7), and one O(9) atom to form distorted CuO4 trigonal pyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Cu(5)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Cu(1)O4 trigonal pyramid, and corners with two equivalent Cu(3)O4 trigonal pyramids. In the fourth Cu site, Cu(4) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(3), one O(5), and one O(7) atom. In the fifth Cu site, Cu(5) is bonded to one O(1), one O(10), one O(6), and one O(8) atom to form CuO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Cu(5)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Cu(2)O4 trigonal pyramid,  a cornercorner with one Cu(3)O4 trigonal pyramid, and corners with two equivalent Cu(1)O4 trigonal pyramids. In the sixth Cu site, Cu(6) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(9), and two equivalent O(6) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), and two equivalent O(6) atoms to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Cu(5)O4 tetrahedra,  a cornercorner with one Cu(1)O4 trigonal pyramid, and corners with four equivalent Cu(3)O4 trigonal pyramids. In the second P site, P(2) is bonded to one O(1), one O(2), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Cu(5)O4 tetrahedra,  a cornercorner with one Cu(1)O4 trigonal pyramid, and corners with four equivalent Cu(2)O4 trigonal pyramids. In the third P site, P(3) is bonded to one O(11), one O(12), and two equivalent O(7) atoms to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Cu(2)O4 trigonal pyramids, and corners with two equivalent Cu(3)O4 trigonal pyramids. In the fourth P site, P(4) is bonded to one O(10), one O(9), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with four equivalent Cu(5)O4 tetrahedra, corners with two equivalent Cu(1)O4 trigonal pyramids, corners with two equivalent Cu(2)O4 trigonal pyramids, and corners with two equivalent Cu(3)O4 trigonal pyramids. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Cu(1), two equivalent Cu(5), and one P(2) atom to form distorted corner-sharing OCu3P tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Cu(2), and one P(2) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent Cu(4), and one P(1) atom to form corner-sharing OLiCu2P tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Cu(1), two equivalent Cu(3), and one P(1) atom. In the fifth O site, O(5) is bonded to one Li(2), one Cu(2), one Cu(4), and one P(2) atom to form distorted OLiCu2P tetrahedra that share  a cornercorner with one O(1)Cu3P tetrahedra,  a cornercorner with one O(3)LiCu2P tetrahedra,  a cornercorner with one O(7)LiCu2P tetrahedra, corners with two equivalent O(11)LiCu2P tetrahedra, and corners with two equivalent O(5)LiCu2P tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Cu(3), one Cu(5), one Cu(6), and one P(1) atom. In the seventh O site, O(7) is bonded to one Li(1), one Cu(3), one Cu(4), and one P(3) atom to form distorted OLiCu2P tetrahedra that share  a cornercorner with one O(9)Cu3P tetrahedra,  a cornercorner with one O(11)LiCu2P tetrahedra,  a cornercorner with one O(5)LiCu2P tetrahedra, corners with two equivalent O(3)LiCu2P tetrahedra, and corners with two equivalent O(7)LiCu2P tetrahedra. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), one Cu(2), one Cu(5), and one P(4) atom. In the ninth O site, O(9) is bonded to one Cu(6), two equivalent Cu(3), and one P(4) atom to form distorted corner-sharing OCu3P tetrahedra. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Cu(5), and one P(4) atom. In the eleventh O site, O(11) is bonded to one Li(2), two equivalent Cu(2), and one P(3) atom to form corner-sharing OLiCu2P tetrahedra. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Cu(6), two equivalent Cu(4), and one P(3) atom. is represented by the CIF card [CIF]
data_LiCu5(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.205
_cell_length_b   5.662
_cell_length_c   10.342
_cell_angle_alpha   89.246
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   363.323
_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  0.000  0.141  0.246  1.0
  Li  Li1  1  0.500  0.854  0.496  1.0
  Cu  Cu2  1  0.000  0.250  0.734  1.0
  Cu  Cu3  1  0.800  0.350  0.489  1.0
  Cu  Cu4  1  0.714  0.358  0.000  1.0
  Cu  Cu5  1  0.715  0.637  0.237  1.0
  Cu  Cu6  1  0.743  0.650  0.752  1.0
  Cu  Cu7  1  0.500  0.741  0.989  1.0
  Cu  Cu8  1  0.257  0.650  0.752  1.0
  Cu  Cu9  1  0.285  0.637  0.237  1.0
  Cu  Cu10  1  0.200  0.350  0.489  1.0
  Cu  Cu11  1  0.286  0.358  0.000  1.0
  P  P12  1  0.000  0.857  0.006  1.0
  P  P13  1  0.000  0.824  0.500  1.0
  P  P14  1  0.500  0.165  0.259  1.0
  P  P15  1  0.500  0.159  0.748  1.0
  O  O16  1  0.000  0.840  0.650  1.0
  O  O17  1  0.000  0.077  0.435  1.0
  O  O18  1  0.000  0.835  0.156  1.0
  O  O19  1  0.000  0.115  0.958  1.0
  O  O20  1  0.789  0.699  0.452  1.0
  O  O21  1  0.803  0.715  0.950  1.0
  O  O22  1  0.711  0.288  0.206  1.0
  O  O23  1  0.699  0.305  0.698  1.0
  O  O24  1  0.500  0.143  0.898  1.0
  O  O25  1  0.500  0.911  0.686  1.0
  O  O26  1  0.500  0.171  0.410  1.0
  O  O27  1  0.500  0.908  0.208  1.0
  O  O28  1  0.301  0.305  0.698  1.0
  O  O29  1  0.289  0.288  0.206  1.0
  O  O30  1  0.211  0.699  0.452  1.0
  O  O31  1  0.197  0.715  0.950  1.0
[/CIF]
.
The compound described by LiCu5(PO4)2 crystallizes in the monoclinic Pm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(7) atoms to form LiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent Cu(2)O4 trigonal pyramids, and corners with two equivalent Cu(3)O4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(10), one O(11), and two equivalent O(5) atoms to form LiO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Cu(5)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with four equivalent Cu(2)O4 trigonal pyramids. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(4), and two equivalent O(8) atoms to form distorted CuO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with four equivalent Cu(5)O4 tetrahedra, corners with two equivalent Cu(2)O4 trigonal pyramids, and corners with two equivalent Cu(3)O4 trigonal pyramids. In the second Cu site, Cu(2) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form distorted CuO4 trigonal pyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Cu(5)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Cu(1)O4 trigonal pyramid, and corners with two equivalent Cu(2)O4 trigonal pyramids. In the third Cu site, Cu(3) is bonded to one O(4), one O(6), one O(7), and one O(9) atom to form distorted CuO4 trigonal pyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Cu(5)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Cu(1)O4 trigonal pyramid, and corners with two equivalent Cu(3)O4 trigonal pyramids. In the fourth Cu site, Cu(4) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(3), one O(5), and one O(7) atom. In the fifth Cu site, Cu(5) is bonded to one O(1), one O(10), one O(6), and one O(8) atom to form CuO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Cu(5)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Cu(2)O4 trigonal pyramid,  a cornercorner with one Cu(3)O4 trigonal pyramid, and corners with two equivalent Cu(1)O4 trigonal pyramids. In the sixth Cu site, Cu(6) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(9), and two equivalent O(6) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), and two equivalent O(6) atoms to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Cu(5)O4 tetrahedra,  a cornercorner with one Cu(1)O4 trigonal pyramid, and corners with four equivalent Cu(3)O4 trigonal pyramids. In the second P site, P(2) is bonded to one O(1), one O(2), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Cu(5)O4 tetrahedra,  a cornercorner with one Cu(1)O4 trigonal pyramid, and corners with four equivalent Cu(2)O4 trigonal pyramids. In the third P site, P(3) is bonded to one O(11), one O(12), and two equivalent O(7) atoms to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Cu(2)O4 trigonal pyramids, and corners with two equivalent Cu(3)O4 trigonal pyramids. In the fourth P site, P(4) is bonded to one O(10), one O(9), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with four equivalent Cu(5)O4 tetrahedra, corners with two equivalent Cu(1)O4 trigonal pyramids, corners with two equivalent Cu(2)O4 trigonal pyramids, and corners with two equivalent Cu(3)O4 trigonal pyramids. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Cu(1), two equivalent Cu(5), and one P(2) atom to form distorted corner-sharing OCu3P tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Cu(2), and one P(2) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent Cu(4), and one P(1) atom to form corner-sharing OLiCu2P tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Cu(1), two equivalent Cu(3), and one P(1) atom. In the fifth O site, O(5) is bonded to one Li(2), one Cu(2), one Cu(4), and one P(2) atom to form distorted OLiCu2P tetrahedra that share  a cornercorner with one O(1)Cu3P tetrahedra,  a cornercorner with one O(3)LiCu2P tetrahedra,  a cornercorner with one O(7)LiCu2P tetrahedra, corners with two equivalent O(11)LiCu2P tetrahedra, and corners with two equivalent O(5)LiCu2P tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Cu(3), one Cu(5), one Cu(6), and one P(1) atom. In the seventh O site, O(7) is bonded to one Li(1), one Cu(3), one Cu(4), and one P(3) atom to form distorted OLiCu2P tetrahedra that share  a cornercorner with one O(9)Cu3P tetrahedra,  a cornercorner with one O(11)LiCu2P tetrahedra,  a cornercorner with one O(5)LiCu2P tetrahedra, corners with two equivalent O(3)LiCu2P tetrahedra, and corners with two equivalent O(7)LiCu2P tetrahedra. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), one Cu(2), one Cu(5), and one P(4) atom. In the ninth O site, O(9) is bonded to one Cu(6), two equivalent Cu(3), and one P(4) atom to form distorted corner-sharing OCu3P tetrahedra. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Cu(5), and one P(4) atom. In the eleventh O site, O(11) is bonded to one Li(2), two equivalent Cu(2), and one P(3) atom to form corner-sharing OLiCu2P tetrahedra. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Cu(6), two equivalent Cu(4), and one P(3) atom. is represented by the CIF card [CIF]
data_LiCu5(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.205
_cell_length_b   5.662
_cell_length_c   10.342
_cell_angle_alpha   89.246
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   363.323
_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  0.000  0.141  0.246  1.0
  Li  Li1  1  0.500  0.854  0.496  1.0
  Cu  Cu2  1  0.000  0.250  0.734  1.0
  Cu  Cu3  1  0.800  0.350  0.489  1.0
  Cu  Cu4  1  0.714  0.358  0.000  1.0
  Cu  Cu5  1  0.715  0.637  0.237  1.0
  Cu  Cu6  1  0.743  0.650  0.752  1.0
  Cu  Cu7  1  0.500  0.741  0.989  1.0
  Cu  Cu8  1  0.257  0.650  0.752  1.0
  Cu  Cu9  1  0.285  0.637  0.237  1.0
  Cu  Cu10  1  0.200  0.350  0.489  1.0
  Cu  Cu11  1  0.286  0.358  0.000  1.0
  P  P12  1  0.000  0.857  0.006  1.0
  P  P13  1  0.000  0.824  0.500  1.0
  P  P14  1  0.500  0.165  0.259  1.0
  P  P15  1  0.500  0.159  0.748  1.0
  O  O16  1  0.000  0.840  0.650  1.0
  O  O17  1  0.000  0.077  0.435  1.0
  O  O18  1  0.000  0.835  0.156  1.0
  O  O19  1  0.000  0.115  0.958  1.0
  O  O20  1  0.789  0.699  0.452  1.0
  O  O21  1  0.803  0.715  0.950  1.0
  O  O22  1  0.711  0.288  0.206  1.0
  O  O23  1  0.699  0.305  0.698  1.0
  O  O24  1  0.500  0.143  0.898  1.0
  O  O25  1  0.500  0.911  0.686  1.0
  O  O26  1  0.500  0.171  0.410  1.0
  O  O27  1  0.500  0.908  0.208  1.0
  O  O28  1  0.301  0.305  0.698  1.0
  O  O29  1  0.289  0.288  0.206  1.0
  O  O30  1  0.211  0.699  0.452  1.0
  O  O31  1  0.197  0.715  0.950  1.0
[/CIF]
.