The structure described by Li3Cu3(PO4)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(2), one O(6), one O(7), and one O(8) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one O(2), one O(4), and one O(6) atom. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one O(3), one O(5), one O(6), and one O(8) atom. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one O(1), one O(5), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(8) atom to form distorted PO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Li(3)O4 tetrahedra. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form distorted PO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Li(3)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Cu(3), and one P(1) atom to form distorted OLi2CuP tetrahedra that share corners with two equivalent O(4)Li2CuP tetrahedra, corners with two equivalent O(7)Li2CuP tetrahedra, and corners with two equivalent O(8)LiCu2P tetrahedra. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one Cu(2), and one P(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Cu(1), and one P(2) atom to form distorted corner-sharing OLi2CuP tetrahedra. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cu(2), one Cu(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Cu(1), one Cu(2), and one P(2) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Cu(3), and one P(2) atom to form distorted OLi2CuP tetrahedra that share corners with two equivalent O(1)Li2CuP tetrahedra, corners with two equivalent O(4)Li2CuP tetrahedra, and corners with two equivalent O(8)LiCu2P tetrahedra. In the eighth O site, O(8) is bonded to one Li(3), one Cu(2), one Cu(3), and one P(1) atom to form distorted corner-sharing OLiCu2P tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Cu3(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.243
_cell_length_b   5.406
_cell_length_c   5.116
_cell_angle_alpha   90.324
_cell_angle_beta   90.076
_cell_angle_gamma   90.150
_symmetry_Int_Tables_number   1
_cell_volume   172.634
_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  0.506  0.000  0.155  1.0
  Li  Li1  1  0.004  0.752  0.327  1.0
  Li  Li2  1  0.507  0.254  0.674  1.0
  Cu  Cu3  1  0.507  0.739  0.664  1.0
  Cu  Cu4  1  0.006  0.500  0.817  1.0
  Cu  Cu5  1  0.995  0.251  0.332  1.0
  P  P6  1  0.001  0.000  0.831  1.0
  P  P7  1  0.502  0.500  0.181  1.0
  O  O8  1  0.111  0.988  0.099  1.0
  O  O9  1  0.698  0.011  0.831  1.0
  O  O10  1  0.094  0.800  0.679  1.0
  O  O11  1  0.618  0.709  0.299  1.0
  O  O12  1  0.199  0.512  0.190  1.0
  O  O13  1  0.596  0.488  0.905  1.0
  O  O14  1  0.593  0.294  0.318  1.0
  O  O15  1  0.121  0.202  0.699  1.0
[/CIF]
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The structure described by Li3Cu3(PO4)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(2), one O(6), one O(7), and one O(8) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one O(2), one O(4), and one O(6) atom. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one O(3), one O(5), one O(6), and one O(8) atom. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one O(1), one O(5), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(8) atom to form distorted PO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Li(3)O4 tetrahedra. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form distorted PO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Li(3)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Cu(3), and one P(1) atom to form distorted OLi2CuP tetrahedra that share corners with two equivalent O(4)Li2CuP tetrahedra, corners with two equivalent O(7)Li2CuP tetrahedra, and corners with two equivalent O(8)LiCu2P tetrahedra. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one Cu(2), and one P(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Cu(1), and one P(2) atom to form distorted corner-sharing OLi2CuP tetrahedra. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cu(2), one Cu(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Cu(1), one Cu(2), and one P(2) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Cu(3), and one P(2) atom to form distorted OLi2CuP tetrahedra that share corners with two equivalent O(1)Li2CuP tetrahedra, corners with two equivalent O(4)Li2CuP tetrahedra, and corners with two equivalent O(8)LiCu2P tetrahedra. In the eighth O site, O(8) is bonded to one Li(3), one Cu(2), one Cu(3), and one P(1) atom to form distorted corner-sharing OLiCu2P tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Cu3(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.243
_cell_length_b   5.406
_cell_length_c   5.116
_cell_angle_alpha   90.324
_cell_angle_beta   90.076
_cell_angle_gamma   90.150
_symmetry_Int_Tables_number   1
_cell_volume   172.634
_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  0.506  0.000  0.155  1.0
  Li  Li1  1  0.004  0.752  0.327  1.0
  Li  Li2  1  0.507  0.254  0.674  1.0
  Cu  Cu3  1  0.507  0.739  0.664  1.0
  Cu  Cu4  1  0.006  0.500  0.817  1.0
  Cu  Cu5  1  0.995  0.251  0.332  1.0
  P  P6  1  0.001  0.000  0.831  1.0
  P  P7  1  0.502  0.500  0.181  1.0
  O  O8  1  0.111  0.988  0.099  1.0
  O  O9  1  0.698  0.011  0.831  1.0
  O  O10  1  0.094  0.800  0.679  1.0
  O  O11  1  0.618  0.709  0.299  1.0
  O  O12  1  0.199  0.512  0.190  1.0
  O  O13  1  0.596  0.488  0.905  1.0
  O  O14  1  0.593  0.294  0.318  1.0
  O  O15  1  0.121  0.202  0.699  1.0
[/CIF]
.