The structure described by Li2Cu(PO3)4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(5), and one O(6) atom. Cu(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form CuO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. 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(4) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 36°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-40°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cu(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(1), one Cu(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Li2Cu(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.059
_cell_length_b   7.693
_cell_length_c   8.415
_cell_angle_alpha   58.453
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   499.806
_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  0.696  0.761  0.355  1.0
  Li  Li1  1  0.804  0.761  0.855  1.0
  Li  Li2  1  0.196  0.239  0.145  1.0
  Li  Li3  1  0.304  0.239  0.645  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.000  0.500  1.0
  P  P6  1  0.585  0.436  0.741  1.0
  P  P7  1  0.085  0.564  0.759  1.0
  P  P8  1  0.214  0.813  0.366  1.0
  P  P9  1  0.714  0.187  0.134  1.0
  P  P10  1  0.286  0.813  0.866  1.0
  P  P11  1  0.786  0.187  0.634  1.0
  P  P12  1  0.915  0.436  0.241  1.0
  P  P13  1  0.415  0.564  0.259  1.0
  O  O14  1  0.723  0.342  0.688  1.0
  O  O15  1  0.115  0.339  0.857  1.0
  O  O16  1  0.442  0.356  0.723  1.0
  O  O17  1  0.613  0.339  0.963  1.0
  O  O18  1  0.113  0.661  0.537  1.0
  O  O19  1  0.114  0.966  0.211  1.0
  O  O20  1  0.942  0.644  0.777  1.0
  O  O21  1  0.615  0.661  0.643  1.0
  O  O22  1  0.827  0.078  0.090  1.0
  O  O23  1  0.223  0.658  0.812  1.0
  O  O24  1  0.327  0.922  0.410  1.0
  O  O25  1  0.614  0.034  0.289  1.0
  O  O26  1  0.386  0.966  0.711  1.0
  O  O27  1  0.673  0.078  0.590  1.0
  O  O28  1  0.777  0.342  0.188  1.0
  O  O29  1  0.173  0.922  0.910  1.0
  O  O30  1  0.385  0.339  0.357  1.0
  O  O31  1  0.058  0.356  0.223  1.0
  O  O32  1  0.886  0.034  0.789  1.0
  O  O33  1  0.887  0.339  0.463  1.0
  O  O34  1  0.387  0.661  0.037  1.0
  O  O35  1  0.558  0.644  0.277  1.0
  O  O36  1  0.885  0.661  0.143  1.0
  O  O37  1  0.277  0.658  0.312  1.0
[/CIF]
.
The structure described by Li2Cu(PO3)4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(5), and one O(6) atom. Cu(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form CuO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. 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(4) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 36°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-40°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cu(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(1), one Cu(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Li2Cu(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.059
_cell_length_b   7.693
_cell_length_c   8.415
_cell_angle_alpha   58.453
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   499.806
_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  0.696  0.761  0.355  1.0
  Li  Li1  1  0.804  0.761  0.855  1.0
  Li  Li2  1  0.196  0.239  0.145  1.0
  Li  Li3  1  0.304  0.239  0.645  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.000  0.500  1.0
  P  P6  1  0.585  0.436  0.741  1.0
  P  P7  1  0.085  0.564  0.759  1.0
  P  P8  1  0.214  0.813  0.366  1.0
  P  P9  1  0.714  0.187  0.134  1.0
  P  P10  1  0.286  0.813  0.866  1.0
  P  P11  1  0.786  0.187  0.634  1.0
  P  P12  1  0.915  0.436  0.241  1.0
  P  P13  1  0.415  0.564  0.259  1.0
  O  O14  1  0.723  0.342  0.688  1.0
  O  O15  1  0.115  0.339  0.857  1.0
  O  O16  1  0.442  0.356  0.723  1.0
  O  O17  1  0.613  0.339  0.963  1.0
  O  O18  1  0.113  0.661  0.537  1.0
  O  O19  1  0.114  0.966  0.211  1.0
  O  O20  1  0.942  0.644  0.777  1.0
  O  O21  1  0.615  0.661  0.643  1.0
  O  O22  1  0.827  0.078  0.090  1.0
  O  O23  1  0.223  0.658  0.812  1.0
  O  O24  1  0.327  0.922  0.410  1.0
  O  O25  1  0.614  0.034  0.289  1.0
  O  O26  1  0.386  0.966  0.711  1.0
  O  O27  1  0.673  0.078  0.590  1.0
  O  O28  1  0.777  0.342  0.188  1.0
  O  O29  1  0.173  0.922  0.910  1.0
  O  O30  1  0.385  0.339  0.357  1.0
  O  O31  1  0.058  0.356  0.223  1.0
  O  O32  1  0.886  0.034  0.789  1.0
  O  O33  1  0.887  0.339  0.463  1.0
  O  O34  1  0.387  0.661  0.037  1.0
  O  O35  1  0.558  0.644  0.277  1.0
  O  O36  1  0.885  0.661  0.143  1.0
  O  O37  1  0.277  0.658  0.312  1.0
[/CIF]
.