The material described by Li5Cu(PO4)2 is Stannite-like structured and crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(13), one O(4), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Cu(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(14), one O(2), one O(3), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Cu(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Cu(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(4), one O(6), one O(7), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Cu(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the fifth Li site, Li(5) is bonded to one O(12), one O(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the sixth Li site, Li(6) is bonded to one O(1), one O(10), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the seventh Li site, Li(7) is bonded to one O(12), one O(16), one O(6), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Cu(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the eighth Li site, Li(8) is bonded to one O(1), one O(10), one O(13), and one O(16) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the ninth Li site, Li(9) is bonded to one O(12), one O(14), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the tenth Li site, Li(10) is bonded to one O(11), one O(13), one O(15), and one O(2) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Cu(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(10), one O(11), one O(15), and one O(5) atom to form CuO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Cu site, Cu(2) is bonded to one O(14), one O(16), one O(4), and one O(9) atom to form CuO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(16), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, and corners with two equivalent Cu(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(15), one O(2), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and corners with two equivalent Cu(1)O4 tetrahedra. In the third P site, P(3) is bonded to one O(11), one O(12), one O(14), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(2)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, and corners with two equivalent Li(9)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(10), one O(13), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, and corners with two equivalent Li(8)O4 tetrahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(6), one Li(8), and one P(2) atom to form OLi3P tetrahedra that share  a cornercorner with one O(15)Li2CuP tetrahedra,  a cornercorner with one O(16)Li2CuP tetrahedra,  a cornercorner with one O(4)Li2CuP tetrahedra,  a cornercorner with one O(5)Li2CuP tetrahedra,  a cornercorner with one O(2)Li3P tetrahedra,  a cornercorner with one O(6)Li3P tetrahedra, corners with two equivalent O(13)Li3P tetrahedra, corners with two equivalent O(8)Li3P tetrahedra, and corners with two equivalent O(10)Li2CuP trigonal pyramids. In the second O site, O(2) is bonded to one Li(10), one Li(2), one Li(3), and one P(2) atom to form distorted OLi3P tetrahedra that share  a cornercorner with one O(14)Li2CuP tetrahedra,  a cornercorner with one O(1)Li3P tetrahedra,  a cornercorner with one O(13)Li3P tetrahedra,  a cornercorner with one O(3)Li3P tetrahedra,  a cornercorner with one O(7)Li3P tetrahedra,  a cornercorner with one O(8)Li3P tetrahedra, corners with two equivalent O(11)Li2CuP tetrahedra, corners with two equivalent O(15)Li2CuP tetrahedra, and corners with two equivalent O(5)Li2CuP tetrahedra. In the third O site, O(3) is bonded to one Li(2), one Li(5), one Li(9), and one P(1) atom to form OLi3P tetrahedra that share  a cornercorner with one O(15)Li2CuP tetrahedra,  a cornercorner with one O(16)Li2CuP tetrahedra,  a cornercorner with one O(4)Li2CuP tetrahedra,  a cornercorner with one O(5)Li2CuP tetrahedra,  a cornercorner with one O(2)Li3P tetrahedra,  a cornercorner with one O(6)Li3P tetrahedra, corners with two equivalent O(14)Li2CuP tetrahedra, corners with two equivalent O(12)Li3P tetrahedra, and corners with two equivalent O(7)Li3P tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Li(4), one Cu(2), and one P(1) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(14)Li2CuP tetrahedra,  a cornercorner with one O(1)Li3P tetrahedra,  a cornercorner with one O(13)Li3P tetrahedra,  a cornercorner with one O(3)Li3P tetrahedra,  a cornercorner with one O(7)Li3P tetrahedra,  a cornercorner with one O(8)Li3P tetrahedra, corners with two equivalent O(16)Li2CuP tetrahedra, corners with two equivalent O(9)Li2CuP tetrahedra, and corners with two equivalent O(6)Li3P tetrahedra. In the fifth O site, O(5) is bonded to one Li(3), one Li(5), one Cu(1), and one P(2) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(1)Li3P tetrahedra,  a cornercorner with one O(12)Li3P tetrahedra,  a cornercorner with one O(3)Li3P tetrahedra,  a cornercorner with one O(7)Li3P tetrahedra,  a cornercorner with one O(8)Li3P tetrahedra, corners with two equivalent O(11)Li2CuP tetrahedra, corners with two equivalent O(15)Li2CuP tetrahedra, corners with two equivalent O(2)Li3P tetrahedra, and  a cornercorner with one O(10)Li2CuP trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(4), one Li(6), one Li(7), and one P(1) atom to form OLi3P tetrahedra that share  a cornercorner with one O(1)Li3P tetrahedra,  a cornercorner with one O(12)Li3P tetrahedra,  a cornercorner with one O(3)Li3P tetrahedra,  a cornercorner with one O(7)Li3P tetrahedra,  a cornercorner with one O(8)Li3P tetrahedra, corners with two equivalent O(16)Li2CuP tetrahedra, corners with two equivalent O(4)Li2CuP tetrahedra, corners with two equivalent O(9)Li2CuP tetrahedra, and  a cornercorner with one O(10)Li2CuP trigonal pyramid. In the seventh O site, O(7) is bonded to one Li(2), one Li(4), one Li(5), and one P(3) atom to form OLi3P tetrahedra that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(4)Li2CuP tetrahedra,  a cornercorner with one O(5)Li2CuP tetrahedra,  a cornercorner with one O(9)Li2CuP tetrahedra,  a cornercorner with one O(2)Li3P tetrahedra,  a cornercorner with one O(6)Li3P tetrahedra, corners with two equivalent O(14)Li2CuP tetrahedra, corners with two equivalent O(12)Li3P tetrahedra, and corners with two equivalent O(3)Li3P tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(6), and one P(4) atom to form OLi3P tetrahedra that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(4)Li2CuP tetrahedra,  a cornercorner with one O(5)Li2CuP tetrahedra,  a cornercorner with one O(9)Li2CuP tetrahedra,  a cornercorner with one O(2)Li3P tetrahedra,  a cornercorner with one O(6)Li3P tetrahedra, corners with two equivalent O(1)Li3P tetrahedra, corners with two equivalent O(13)Li3P tetrahedra, and corners with two equivalent O(10)Li2CuP trigonal pyramids. In the ninth O site, O(9) is bonded to one Li(4), one Li(7), one Cu(2), and one P(4) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(14)Li2CuP tetrahedra,  a cornercorner with one O(12)Li3P tetrahedra,  a cornercorner with one O(13)Li3P tetrahedra,  a cornercorner with one O(7)Li3P tetrahedra,  a cornercorner with one O(8)Li3P tetrahedra, corners with two equivalent O(16)Li2CuP tetrahedra, corners with two equivalent O(4)Li2CuP tetrahedra, corners with two equivalent O(6)Li3P tetrahedra, and  a cornercorner with one O(10)Li2CuP trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(6), one Li(8), one Cu(1), and one P(4) atom to form distorted OLi2CuP trigonal pyramids that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(15)Li2CuP tetrahedra,  a cornercorner with one O(16)Li2CuP tetrahedra,  a cornercorner with one O(5)Li2CuP tetrahedra,  a cornercorner with one O(9)Li2CuP tetrahedra,  a cornercorner with one O(6)Li3P tetrahedra, corners with two equivalent O(1)Li3P tetrahedra, corners with two equivalent O(13)Li3P tetrahedra, and corners with two equivalent O(8)Li3P tetrahedra. In the eleventh O site, O(11) is bonded to one Li(10), one Li(3), one Cu(1), and one P(3) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(14)Li2CuP tetrahedra,  a cornercorner with one O(12)Li3P tetrahedra,  a cornercorner with one O(13)Li3P tetrahedra,  a cornercorner with one O(7)Li3P tetrahedra,  a cornercorner with one O(8)Li3P tetrahedra, corners with two equivalent O(15)Li2CuP tetrahedra, corners with two equivalent O(5)Li2CuP tetrahedra, corners with two equivalent O(2)Li3P tetrahedra, and  a cornercorner with one O(10)Li2CuP trigonal pyramid. In the twelfth O site, O(12) is bonded to one Li(5), one Li(7), one Li(9), and one P(3) atom to form distorted OLi3P tetrahedra that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(15)Li2CuP tetrahedra,  a cornercorner with one O(16)Li2CuP tetrahedra,  a cornercorner with one O(5)Li2CuP tetrahedra,  a cornercorner with one O(9)Li2CuP tetrahedra,  a cornercorner with one O(6)Li3P tetrahedra, corners with two equivalent O(14)Li2CuP tetrahedra, corners with two equivalent O(3)Li3P tetrahedra, and corners with two equivalent O(7)Li3P tetrahedra. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(10), one Li(8), and one P(4) atom to form distorted OLi3P tetrahedra that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(15)Li2CuP tetrahedra,  a cornercorner with one O(16)Li2CuP tetrahedra,  a cornercorner with one O(4)Li2CuP tetrahedra,  a cornercorner with one O(9)Li2CuP tetrahedra,  a cornercorner with one O(2)Li3P tetrahedra, corners with two equivalent O(1)Li3P tetrahedra, corners with two equivalent O(8)Li3P tetrahedra, and corners with two equivalent O(10)Li2CuP trigonal pyramids. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(9), one Cu(2), and one P(3) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(15)Li2CuP tetrahedra,  a cornercorner with one O(16)Li2CuP tetrahedra,  a cornercorner with one O(4)Li2CuP tetrahedra,  a cornercorner with one O(9)Li2CuP tetrahedra,  a cornercorner with one O(2)Li3P tetrahedra, corners with two equivalent O(12)Li3P tetrahedra, corners with two equivalent O(3)Li3P tetrahedra, and corners with two equivalent O(7)Li3P tetrahedra. In the fifteenth O site, O(15) is bonded to one Li(10), one Li(9), one Cu(1), and one P(2) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(14)Li2CuP tetrahedra,  a cornercorner with one O(1)Li3P tetrahedra,  a cornercorner with one O(12)Li3P tetrahedra,  a cornercorner with one O(13)Li3P tetrahedra,  a cornercorner with one O(3)Li3P tetrahedra, corners with two equivalent O(11)Li2CuP tetrahedra, corners with two equivalent O(5)Li2CuP tetrahedra, corners with two equivalent O(2)Li3P tetrahedra, and  a cornercorner with one O(10)Li2CuP trigonal pyramid. In the sixteenth O site, O(16) is bonded to one Li(7), one Li(8), one Cu(2), and one P(1) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(14)Li2CuP tetrahedra,  a cornercorner with one O(1)Li3P tetrahedra,  a cornercorner with one O(12)Li3P tetrahedra,  a cornercorner with one O(13)Li3P tetrahedra,  a cornercorner with one O(3)Li3P tetrahedra, corners with two equivalent O(4)Li2CuP tetrahedra, corners with two equivalent O(9)Li2CuP tetrahedra, corners with two equivalent O(6)Li3P tetrahedra, and  a cornercorner with one O(10)Li2CuP trigonal pyramid. is represented by the CIF file [CIF]
data_Li5Cu(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.331
_cell_length_b   6.212
_cell_length_c   9.953
_cell_angle_alpha   90.055
_cell_angle_beta   90.093
_cell_angle_gamma   90.113
_symmetry_Int_Tables_number   1
_cell_volume   329.570
_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  0.155  0.001  0.746  1.0
  Li  Li1  1  0.156  0.000  0.245  1.0
  Li  Li2  1  0.327  0.752  0.496  1.0
  Li  Li3  1  0.328  0.753  0.996  1.0
  Li  Li4  1  0.673  0.746  0.245  1.0
  Li  Li5  1  0.673  0.747  0.745  1.0
  Li  Li6  1  0.845  0.499  0.995  1.0
  Li  Li7  1  0.672  0.253  0.745  1.0
  Li  Li8  1  0.675  0.254  0.246  1.0
  Li  Li9  1  0.326  0.250  0.495  1.0
  Cu  Cu10  1  0.827  0.500  0.497  1.0
  Cu  Cu11  1  0.334  0.242  0.998  1.0
  P  P12  1  0.825  0.996  0.999  1.0
  P  P13  1  0.826  1.000  0.500  1.0
  P  P14  1  0.177  0.502  0.250  1.0
  P  P15  1  0.175  0.503  0.749  1.0
  O  O16  1  0.819  1.000  0.656  1.0
  O  O17  1  0.102  0.000  0.450  1.0
  O  O18  1  0.821  1.000  0.156  1.0
  O  O19  1  0.100  0.986  0.946  1.0
  O  O20  1  0.682  0.798  0.444  1.0
  O  O21  1  0.682  0.793  0.947  1.0
  O  O22  1  0.314  0.707  0.195  1.0
  O  O23  1  0.311  0.708  0.695  1.0
  O  O24  1  0.179  0.510  0.906  1.0
  O  O25  1  0.893  0.501  0.706  1.0
  O  O26  1  0.190  0.504  0.406  1.0
  O  O27  1  0.901  0.500  0.199  1.0
  O  O28  1  0.310  0.296  0.697  1.0
  O  O29  1  0.315  0.291  0.204  1.0
  O  O30  1  0.683  0.201  0.445  1.0
  O  O31  1  0.703  0.207  0.944  1.0
[/CIF]
.
The material described by Li5Cu(PO4)2 is Stannite-like structured and crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(13), one O(4), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Cu(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(14), one O(2), one O(3), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Cu(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Cu(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(4), one O(6), one O(7), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Cu(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the fifth Li site, Li(5) is bonded to one O(12), one O(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the sixth Li site, Li(6) is bonded to one O(1), one O(10), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the seventh Li site, Li(7) is bonded to one O(12), one O(16), one O(6), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Cu(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the eighth Li site, Li(8) is bonded to one O(1), one O(10), one O(13), and one O(16) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the ninth Li site, Li(9) is bonded to one O(12), one O(14), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the tenth Li site, Li(10) is bonded to one O(11), one O(13), one O(15), and one O(2) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Cu(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(10), one O(11), one O(15), and one O(5) atom to form CuO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Cu site, Cu(2) is bonded to one O(14), one O(16), one O(4), and one O(9) atom to form CuO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(16), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, and corners with two equivalent Cu(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(15), one O(2), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and corners with two equivalent Cu(1)O4 tetrahedra. In the third P site, P(3) is bonded to one O(11), one O(12), one O(14), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(2)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, and corners with two equivalent Li(9)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(10), one O(13), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, and corners with two equivalent Li(8)O4 tetrahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(6), one Li(8), and one P(2) atom to form OLi3P tetrahedra that share  a cornercorner with one O(15)Li2CuP tetrahedra,  a cornercorner with one O(16)Li2CuP tetrahedra,  a cornercorner with one O(4)Li2CuP tetrahedra,  a cornercorner with one O(5)Li2CuP tetrahedra,  a cornercorner with one O(2)Li3P tetrahedra,  a cornercorner with one O(6)Li3P tetrahedra, corners with two equivalent O(13)Li3P tetrahedra, corners with two equivalent O(8)Li3P tetrahedra, and corners with two equivalent O(10)Li2CuP trigonal pyramids. In the second O site, O(2) is bonded to one Li(10), one Li(2), one Li(3), and one P(2) atom to form distorted OLi3P tetrahedra that share  a cornercorner with one O(14)Li2CuP tetrahedra,  a cornercorner with one O(1)Li3P tetrahedra,  a cornercorner with one O(13)Li3P tetrahedra,  a cornercorner with one O(3)Li3P tetrahedra,  a cornercorner with one O(7)Li3P tetrahedra,  a cornercorner with one O(8)Li3P tetrahedra, corners with two equivalent O(11)Li2CuP tetrahedra, corners with two equivalent O(15)Li2CuP tetrahedra, and corners with two equivalent O(5)Li2CuP tetrahedra. In the third O site, O(3) is bonded to one Li(2), one Li(5), one Li(9), and one P(1) atom to form OLi3P tetrahedra that share  a cornercorner with one O(15)Li2CuP tetrahedra,  a cornercorner with one O(16)Li2CuP tetrahedra,  a cornercorner with one O(4)Li2CuP tetrahedra,  a cornercorner with one O(5)Li2CuP tetrahedra,  a cornercorner with one O(2)Li3P tetrahedra,  a cornercorner with one O(6)Li3P tetrahedra, corners with two equivalent O(14)Li2CuP tetrahedra, corners with two equivalent O(12)Li3P tetrahedra, and corners with two equivalent O(7)Li3P tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Li(4), one Cu(2), and one P(1) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(14)Li2CuP tetrahedra,  a cornercorner with one O(1)Li3P tetrahedra,  a cornercorner with one O(13)Li3P tetrahedra,  a cornercorner with one O(3)Li3P tetrahedra,  a cornercorner with one O(7)Li3P tetrahedra,  a cornercorner with one O(8)Li3P tetrahedra, corners with two equivalent O(16)Li2CuP tetrahedra, corners with two equivalent O(9)Li2CuP tetrahedra, and corners with two equivalent O(6)Li3P tetrahedra. In the fifth O site, O(5) is bonded to one Li(3), one Li(5), one Cu(1), and one P(2) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(1)Li3P tetrahedra,  a cornercorner with one O(12)Li3P tetrahedra,  a cornercorner with one O(3)Li3P tetrahedra,  a cornercorner with one O(7)Li3P tetrahedra,  a cornercorner with one O(8)Li3P tetrahedra, corners with two equivalent O(11)Li2CuP tetrahedra, corners with two equivalent O(15)Li2CuP tetrahedra, corners with two equivalent O(2)Li3P tetrahedra, and  a cornercorner with one O(10)Li2CuP trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(4), one Li(6), one Li(7), and one P(1) atom to form OLi3P tetrahedra that share  a cornercorner with one O(1)Li3P tetrahedra,  a cornercorner with one O(12)Li3P tetrahedra,  a cornercorner with one O(3)Li3P tetrahedra,  a cornercorner with one O(7)Li3P tetrahedra,  a cornercorner with one O(8)Li3P tetrahedra, corners with two equivalent O(16)Li2CuP tetrahedra, corners with two equivalent O(4)Li2CuP tetrahedra, corners with two equivalent O(9)Li2CuP tetrahedra, and  a cornercorner with one O(10)Li2CuP trigonal pyramid. In the seventh O site, O(7) is bonded to one Li(2), one Li(4), one Li(5), and one P(3) atom to form OLi3P tetrahedra that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(4)Li2CuP tetrahedra,  a cornercorner with one O(5)Li2CuP tetrahedra,  a cornercorner with one O(9)Li2CuP tetrahedra,  a cornercorner with one O(2)Li3P tetrahedra,  a cornercorner with one O(6)Li3P tetrahedra, corners with two equivalent O(14)Li2CuP tetrahedra, corners with two equivalent O(12)Li3P tetrahedra, and corners with two equivalent O(3)Li3P tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(6), and one P(4) atom to form OLi3P tetrahedra that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(4)Li2CuP tetrahedra,  a cornercorner with one O(5)Li2CuP tetrahedra,  a cornercorner with one O(9)Li2CuP tetrahedra,  a cornercorner with one O(2)Li3P tetrahedra,  a cornercorner with one O(6)Li3P tetrahedra, corners with two equivalent O(1)Li3P tetrahedra, corners with two equivalent O(13)Li3P tetrahedra, and corners with two equivalent O(10)Li2CuP trigonal pyramids. In the ninth O site, O(9) is bonded to one Li(4), one Li(7), one Cu(2), and one P(4) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(14)Li2CuP tetrahedra,  a cornercorner with one O(12)Li3P tetrahedra,  a cornercorner with one O(13)Li3P tetrahedra,  a cornercorner with one O(7)Li3P tetrahedra,  a cornercorner with one O(8)Li3P tetrahedra, corners with two equivalent O(16)Li2CuP tetrahedra, corners with two equivalent O(4)Li2CuP tetrahedra, corners with two equivalent O(6)Li3P tetrahedra, and  a cornercorner with one O(10)Li2CuP trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(6), one Li(8), one Cu(1), and one P(4) atom to form distorted OLi2CuP trigonal pyramids that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(15)Li2CuP tetrahedra,  a cornercorner with one O(16)Li2CuP tetrahedra,  a cornercorner with one O(5)Li2CuP tetrahedra,  a cornercorner with one O(9)Li2CuP tetrahedra,  a cornercorner with one O(6)Li3P tetrahedra, corners with two equivalent O(1)Li3P tetrahedra, corners with two equivalent O(13)Li3P tetrahedra, and corners with two equivalent O(8)Li3P tetrahedra. In the eleventh O site, O(11) is bonded to one Li(10), one Li(3), one Cu(1), and one P(3) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(14)Li2CuP tetrahedra,  a cornercorner with one O(12)Li3P tetrahedra,  a cornercorner with one O(13)Li3P tetrahedra,  a cornercorner with one O(7)Li3P tetrahedra,  a cornercorner with one O(8)Li3P tetrahedra, corners with two equivalent O(15)Li2CuP tetrahedra, corners with two equivalent O(5)Li2CuP tetrahedra, corners with two equivalent O(2)Li3P tetrahedra, and  a cornercorner with one O(10)Li2CuP trigonal pyramid. In the twelfth O site, O(12) is bonded to one Li(5), one Li(7), one Li(9), and one P(3) atom to form distorted OLi3P tetrahedra that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(15)Li2CuP tetrahedra,  a cornercorner with one O(16)Li2CuP tetrahedra,  a cornercorner with one O(5)Li2CuP tetrahedra,  a cornercorner with one O(9)Li2CuP tetrahedra,  a cornercorner with one O(6)Li3P tetrahedra, corners with two equivalent O(14)Li2CuP tetrahedra, corners with two equivalent O(3)Li3P tetrahedra, and corners with two equivalent O(7)Li3P tetrahedra. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(10), one Li(8), and one P(4) atom to form distorted OLi3P tetrahedra that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(15)Li2CuP tetrahedra,  a cornercorner with one O(16)Li2CuP tetrahedra,  a cornercorner with one O(4)Li2CuP tetrahedra,  a cornercorner with one O(9)Li2CuP tetrahedra,  a cornercorner with one O(2)Li3P tetrahedra, corners with two equivalent O(1)Li3P tetrahedra, corners with two equivalent O(8)Li3P tetrahedra, and corners with two equivalent O(10)Li2CuP trigonal pyramids. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(9), one Cu(2), and one P(3) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(15)Li2CuP tetrahedra,  a cornercorner with one O(16)Li2CuP tetrahedra,  a cornercorner with one O(4)Li2CuP tetrahedra,  a cornercorner with one O(9)Li2CuP tetrahedra,  a cornercorner with one O(2)Li3P tetrahedra, corners with two equivalent O(12)Li3P tetrahedra, corners with two equivalent O(3)Li3P tetrahedra, and corners with two equivalent O(7)Li3P tetrahedra. In the fifteenth O site, O(15) is bonded to one Li(10), one Li(9), one Cu(1), and one P(2) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(14)Li2CuP tetrahedra,  a cornercorner with one O(1)Li3P tetrahedra,  a cornercorner with one O(12)Li3P tetrahedra,  a cornercorner with one O(13)Li3P tetrahedra,  a cornercorner with one O(3)Li3P tetrahedra, corners with two equivalent O(11)Li2CuP tetrahedra, corners with two equivalent O(5)Li2CuP tetrahedra, corners with two equivalent O(2)Li3P tetrahedra, and  a cornercorner with one O(10)Li2CuP trigonal pyramid. In the sixteenth O site, O(16) is bonded to one Li(7), one Li(8), one Cu(2), and one P(1) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(14)Li2CuP tetrahedra,  a cornercorner with one O(1)Li3P tetrahedra,  a cornercorner with one O(12)Li3P tetrahedra,  a cornercorner with one O(13)Li3P tetrahedra,  a cornercorner with one O(3)Li3P tetrahedra, corners with two equivalent O(4)Li2CuP tetrahedra, corners with two equivalent O(9)Li2CuP tetrahedra, corners with two equivalent O(6)Li3P tetrahedra, and  a cornercorner with one O(10)Li2CuP trigonal pyramid. is represented by the CIF file [CIF]
data_Li5Cu(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.331
_cell_length_b   6.212
_cell_length_c   9.953
_cell_angle_alpha   90.055
_cell_angle_beta   90.093
_cell_angle_gamma   90.113
_symmetry_Int_Tables_number   1
_cell_volume   329.570
_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  0.155  0.001  0.746  1.0
  Li  Li1  1  0.156  0.000  0.245  1.0
  Li  Li2  1  0.327  0.752  0.496  1.0
  Li  Li3  1  0.328  0.753  0.996  1.0
  Li  Li4  1  0.673  0.746  0.245  1.0
  Li  Li5  1  0.673  0.747  0.745  1.0
  Li  Li6  1  0.845  0.499  0.995  1.0
  Li  Li7  1  0.672  0.253  0.745  1.0
  Li  Li8  1  0.675  0.254  0.246  1.0
  Li  Li9  1  0.326  0.250  0.495  1.0
  Cu  Cu10  1  0.827  0.500  0.497  1.0
  Cu  Cu11  1  0.334  0.242  0.998  1.0
  P  P12  1  0.825  0.996  0.999  1.0
  P  P13  1  0.826  1.000  0.500  1.0
  P  P14  1  0.177  0.502  0.250  1.0
  P  P15  1  0.175  0.503  0.749  1.0
  O  O16  1  0.819  1.000  0.656  1.0
  O  O17  1  0.102  0.000  0.450  1.0
  O  O18  1  0.821  1.000  0.156  1.0
  O  O19  1  0.100  0.986  0.946  1.0
  O  O20  1  0.682  0.798  0.444  1.0
  O  O21  1  0.682  0.793  0.947  1.0
  O  O22  1  0.314  0.707  0.195  1.0
  O  O23  1  0.311  0.708  0.695  1.0
  O  O24  1  0.179  0.510  0.906  1.0
  O  O25  1  0.893  0.501  0.706  1.0
  O  O26  1  0.190  0.504  0.406  1.0
  O  O27  1  0.901  0.500  0.199  1.0
  O  O28  1  0.310  0.296  0.697  1.0
  O  O29  1  0.315  0.291  0.204  1.0
  O  O30  1  0.683  0.201  0.445  1.0
  O  O31  1  0.703  0.207  0.944  1.0
[/CIF]
.