The structure described by LiCu(PO3)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a trigonal non-coplanar geometry to one O(2), one O(5), and one O(6) atom. Cu(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form CuO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two 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(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Cu(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Cu(1)O4 tetrahedra and corners with two equivalent P(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Li(1), one Cu(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCu(PO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.395
_cell_length_b   5.556
_cell_length_c   7.441
_cell_angle_alpha   84.621
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   510.190
_cell_formula_units_Z   4
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  0.623  0.611  0.168  1.0
  Li  Li1  1  0.123  0.389  0.332  1.0
  Li  Li2  1  0.877  0.611  0.668  1.0
  Li  Li3  1  0.377  0.389  0.832  1.0
  Cu  Cu4  1  0.469  0.174  0.220  1.0
  Cu  Cu5  1  0.969  0.826  0.280  1.0
  Cu  Cu6  1  0.031  0.174  0.720  1.0
  Cu  Cu7  1  0.531  0.826  0.780  1.0
  P  P8  1  0.165  0.837  0.022  1.0
  P  P9  1  0.377  0.680  0.161  1.0
  P  P10  1  0.877  0.320  0.339  1.0
  P  P11  1  0.665  0.163  0.478  1.0
  P  P12  1  0.335  0.837  0.522  1.0
  P  P13  1  0.123  0.680  0.661  1.0
  P  P14  1  0.623  0.320  0.839  1.0
  P  P15  1  0.835  0.163  0.978  1.0
  O  O16  1  0.294  0.869  0.057  1.0
  O  O17  1  0.364  0.437  0.089  1.0
  O  O18  1  0.876  0.919  0.045  1.0
  O  O19  1  0.834  0.349  0.134  1.0
  O  O20  1  0.488  0.798  0.153  1.0
  O  O21  1  0.116  0.699  0.187  1.0
  O  O22  1  0.616  0.301  0.313  1.0
  O  O23  1  0.988  0.202  0.347  1.0
  O  O24  1  0.334  0.651  0.366  1.0
  O  O25  1  0.376  0.081  0.455  1.0
  O  O26  1  0.864  0.563  0.411  1.0
  O  O27  1  0.794  0.131  0.443  1.0
  O  O28  1  0.206  0.869  0.557  1.0
  O  O29  1  0.136  0.437  0.589  1.0
  O  O30  1  0.624  0.919  0.545  1.0
  O  O31  1  0.666  0.349  0.634  1.0
  O  O32  1  0.012  0.798  0.653  1.0
  O  O33  1  0.384  0.699  0.687  1.0
  O  O34  1  0.884  0.301  0.813  1.0
  O  O35  1  0.512  0.202  0.847  1.0
  O  O36  1  0.166  0.651  0.866  1.0
  O  O37  1  0.124  0.081  0.955  1.0
  O  O38  1  0.636  0.563  0.911  1.0
  O  O39  1  0.706  0.131  0.943  1.0
[/CIF]
.
The structure described by LiCu(PO3)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a trigonal non-coplanar geometry to one O(2), one O(5), and one O(6) atom. Cu(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form CuO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two 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(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Cu(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Cu(1)O4 tetrahedra and corners with two equivalent P(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Li(1), one Cu(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCu(PO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.395
_cell_length_b   5.556
_cell_length_c   7.441
_cell_angle_alpha   84.621
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   510.190
_cell_formula_units_Z   4
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  0.623  0.611  0.168  1.0
  Li  Li1  1  0.123  0.389  0.332  1.0
  Li  Li2  1  0.877  0.611  0.668  1.0
  Li  Li3  1  0.377  0.389  0.832  1.0
  Cu  Cu4  1  0.469  0.174  0.220  1.0
  Cu  Cu5  1  0.969  0.826  0.280  1.0
  Cu  Cu6  1  0.031  0.174  0.720  1.0
  Cu  Cu7  1  0.531  0.826  0.780  1.0
  P  P8  1  0.165  0.837  0.022  1.0
  P  P9  1  0.377  0.680  0.161  1.0
  P  P10  1  0.877  0.320  0.339  1.0
  P  P11  1  0.665  0.163  0.478  1.0
  P  P12  1  0.335  0.837  0.522  1.0
  P  P13  1  0.123  0.680  0.661  1.0
  P  P14  1  0.623  0.320  0.839  1.0
  P  P15  1  0.835  0.163  0.978  1.0
  O  O16  1  0.294  0.869  0.057  1.0
  O  O17  1  0.364  0.437  0.089  1.0
  O  O18  1  0.876  0.919  0.045  1.0
  O  O19  1  0.834  0.349  0.134  1.0
  O  O20  1  0.488  0.798  0.153  1.0
  O  O21  1  0.116  0.699  0.187  1.0
  O  O22  1  0.616  0.301  0.313  1.0
  O  O23  1  0.988  0.202  0.347  1.0
  O  O24  1  0.334  0.651  0.366  1.0
  O  O25  1  0.376  0.081  0.455  1.0
  O  O26  1  0.864  0.563  0.411  1.0
  O  O27  1  0.794  0.131  0.443  1.0
  O  O28  1  0.206  0.869  0.557  1.0
  O  O29  1  0.136  0.437  0.589  1.0
  O  O30  1  0.624  0.919  0.545  1.0
  O  O31  1  0.666  0.349  0.634  1.0
  O  O32  1  0.012  0.798  0.653  1.0
  O  O33  1  0.384  0.699  0.687  1.0
  O  O34  1  0.884  0.301  0.813  1.0
  O  O35  1  0.512  0.202  0.847  1.0
  O  O36  1  0.166  0.651  0.866  1.0
  O  O37  1  0.124  0.081  0.955  1.0
  O  O38  1  0.636  0.563  0.911  1.0
  O  O39  1  0.706  0.131  0.943  1.0
[/CIF]
.