The structure described by LiCu(PO3)2 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to one O(4), one O(6), and one O(8) atom. In the second Li site, Li(2) is bonded in a trigonal non-coplanar geometry to one O(10), one O(5), and one O(7) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), one O(5), one O(6), and one O(8) atom to form CuO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Cu site, Cu(2) is bonded to one O(10), one O(4), one O(7), and one O(9) atom to form CuO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(2), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second P site, P(2) is bonded to one O(10), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Cu(2)O4 tetrahedra. In the third P site, P(3) is bonded to one O(11), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Cu(1)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(1), one O(11), one O(12), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. There are twelve 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(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to 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 P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Li(1), one Cu(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(2), one Cu(1), and one P(3) 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(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Cu(2) and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one P(1) and one P(4) 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   4.979
_cell_length_b   7.806
_cell_length_c   8.930
_cell_angle_alpha   65.439
_cell_angle_beta   89.634
_cell_angle_gamma   89.271
_symmetry_Int_Tables_number   1
_cell_volume   315.622
_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  0.642  0.863  0.307  1.0
  Li  Li1  1  0.142  0.095  0.721  1.0
  Cu  Cu2  1  0.136  0.058  0.373  1.0
  Cu  Cu3  1  0.647  0.089  0.909  1.0
  P  P4  1  0.183  0.504  0.091  1.0
  P  P5  1  0.140  0.898  0.105  1.0
  P  P6  1  0.631  0.943  0.617  1.0
  P  P7  1  0.682  0.521  0.875  1.0
  O  O8  1  0.468  0.458  0.026  1.0
  O  O9  1  0.100  0.342  0.242  1.0
  O  O10  1  0.243  0.689  0.108  1.0
  O  O11  1  0.835  0.890  0.118  1.0
  O  O12  1  0.344  0.016  0.584  1.0
  O  O13  1  0.279  0.895  0.257  1.0
  O  O14  1  0.793  0.027  0.713  1.0
  O  O15  1  0.772  0.924  0.474  1.0
  O  O16  1  0.708  0.374  0.812  1.0
  O  O17  1  0.242  0.042  0.940  1.0
  O  O18  1  0.579  0.714  0.754  1.0
  O  O19  1  0.968  0.557  0.943  1.0
[/CIF]
.
The structure described by LiCu(PO3)2 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to one O(4), one O(6), and one O(8) atom. In the second Li site, Li(2) is bonded in a trigonal non-coplanar geometry to one O(10), one O(5), and one O(7) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), one O(5), one O(6), and one O(8) atom to form CuO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Cu site, Cu(2) is bonded to one O(10), one O(4), one O(7), and one O(9) atom to form CuO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(2), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second P site, P(2) is bonded to one O(10), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Cu(2)O4 tetrahedra. In the third P site, P(3) is bonded to one O(11), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Cu(1)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(1), one O(11), one O(12), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. There are twelve 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(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to 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 P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Li(1), one Cu(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(2), one Cu(1), and one P(3) 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(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Cu(2) and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one P(1) and one P(4) 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   4.979
_cell_length_b   7.806
_cell_length_c   8.930
_cell_angle_alpha   65.439
_cell_angle_beta   89.634
_cell_angle_gamma   89.271
_symmetry_Int_Tables_number   1
_cell_volume   315.622
_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  0.642  0.863  0.307  1.0
  Li  Li1  1  0.142  0.095  0.721  1.0
  Cu  Cu2  1  0.136  0.058  0.373  1.0
  Cu  Cu3  1  0.647  0.089  0.909  1.0
  P  P4  1  0.183  0.504  0.091  1.0
  P  P5  1  0.140  0.898  0.105  1.0
  P  P6  1  0.631  0.943  0.617  1.0
  P  P7  1  0.682  0.521  0.875  1.0
  O  O8  1  0.468  0.458  0.026  1.0
  O  O9  1  0.100  0.342  0.242  1.0
  O  O10  1  0.243  0.689  0.108  1.0
  O  O11  1  0.835  0.890  0.118  1.0
  O  O12  1  0.344  0.016  0.584  1.0
  O  O13  1  0.279  0.895  0.257  1.0
  O  O14  1  0.793  0.027  0.713  1.0
  O  O15  1  0.772  0.924  0.474  1.0
  O  O16  1  0.708  0.374  0.812  1.0
  O  O17  1  0.242  0.042  0.940  1.0
  O  O18  1  0.579  0.714  0.754  1.0
  O  O19  1  0.968  0.557  0.943  1.0
[/CIF]
.