The crystal structure described by Li2Cu(PO3)4 crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(8), and one O(9) atom. In the second Li site, Li(2) is bonded in a distorted T-shaped geometry to one O(2), one O(4), and one O(6) atom. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(12), one O(5), and one O(9) atom. There are four 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(7) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(10), one O(3), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(10), one O(11), one O(8), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(4), and one O(7) atom to form corner-sharing PO4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Li(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Li(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Cu(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.908
_cell_length_b   7.908
_cell_length_c   8.266
_cell_angle_alpha   84.363
_cell_angle_beta   84.363
_cell_angle_gamma   102.795
_symmetry_Int_Tables_number   1
_cell_volume   497.819
_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  0.451  0.822  0.949  1.0
  Li  Li1  1  0.822  0.451  0.449  1.0
  Li  Li2  1  0.165  0.523  0.543  1.0
  Li  Li3  1  0.523  0.165  0.043  1.0
  Cu  Cu4  1  0.817  0.105  0.747  1.0
  Cu  Cu5  1  0.105  0.817  0.247  1.0
  P  P6  1  0.926  0.759  0.688  1.0
  P  P7  1  0.759  0.926  0.188  1.0
  P  P8  1  0.818  0.444  0.922  1.0
  P  P9  1  0.444  0.818  0.422  1.0
  P  P10  1  0.493  0.148  0.582  1.0
  P  P11  1  0.148  0.493  0.082  1.0
  P  P12  1  0.177  0.030  0.820  1.0
  P  P13  1  0.030  0.177  0.320  1.0
  O  O14  1  0.832  0.898  0.642  1.0
  O  O15  1  0.967  0.645  0.561  1.0
  O  O16  1  0.898  0.832  0.142  1.0
  O  O17  1  0.645  0.967  0.061  1.0
  O  O18  1  0.812  0.641  0.850  1.0
  O  O19  1  0.641  0.812  0.350  1.0
  O  O20  1  0.287  0.001  0.954  1.0
  O  O21  1  0.790  0.337  0.781  1.0
  O  O22  1  0.001  0.287  0.454  1.0
  O  O23  1  0.386  0.695  0.576  1.0
  O  O24  1  0.337  0.790  0.281  1.0
  O  O25  1  0.695  0.386  0.076  1.0
  O  O26  1  0.107  0.843  0.755  1.0
  O  O27  1  0.327  0.577  0.000  1.0
  O  O28  1  0.843  0.107  0.255  1.0
  O  O29  1  0.577  0.327  0.500  1.0
  O  O30  1  0.570  0.057  0.718  1.0
  O  O31  1  0.022  0.465  0.941  1.0
  O  O32  1  0.057  0.570  0.218  1.0
  O  O33  1  0.465  0.022  0.441  1.0
  O  O34  1  0.295  0.145  0.659  1.0
  O  O35  1  0.145  0.295  0.159  1.0
  O  O36  1  0.028  0.117  0.853  1.0
  O  O37  1  0.117  0.028  0.353  1.0
[/CIF]
.
The crystal structure described by Li2Cu(PO3)4 crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(8), and one O(9) atom. In the second Li site, Li(2) is bonded in a distorted T-shaped geometry to one O(2), one O(4), and one O(6) atom. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(12), one O(5), and one O(9) atom. There are four 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(7) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(10), one O(3), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(10), one O(11), one O(8), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(4), and one O(7) atom to form corner-sharing PO4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Li(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Li(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Cu(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.908
_cell_length_b   7.908
_cell_length_c   8.266
_cell_angle_alpha   84.363
_cell_angle_beta   84.363
_cell_angle_gamma   102.795
_symmetry_Int_Tables_number   1
_cell_volume   497.819
_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  0.451  0.822  0.949  1.0
  Li  Li1  1  0.822  0.451  0.449  1.0
  Li  Li2  1  0.165  0.523  0.543  1.0
  Li  Li3  1  0.523  0.165  0.043  1.0
  Cu  Cu4  1  0.817  0.105  0.747  1.0
  Cu  Cu5  1  0.105  0.817  0.247  1.0
  P  P6  1  0.926  0.759  0.688  1.0
  P  P7  1  0.759  0.926  0.188  1.0
  P  P8  1  0.818  0.444  0.922  1.0
  P  P9  1  0.444  0.818  0.422  1.0
  P  P10  1  0.493  0.148  0.582  1.0
  P  P11  1  0.148  0.493  0.082  1.0
  P  P12  1  0.177  0.030  0.820  1.0
  P  P13  1  0.030  0.177  0.320  1.0
  O  O14  1  0.832  0.898  0.642  1.0
  O  O15  1  0.967  0.645  0.561  1.0
  O  O16  1  0.898  0.832  0.142  1.0
  O  O17  1  0.645  0.967  0.061  1.0
  O  O18  1  0.812  0.641  0.850  1.0
  O  O19  1  0.641  0.812  0.350  1.0
  O  O20  1  0.287  0.001  0.954  1.0
  O  O21  1  0.790  0.337  0.781  1.0
  O  O22  1  0.001  0.287  0.454  1.0
  O  O23  1  0.386  0.695  0.576  1.0
  O  O24  1  0.337  0.790  0.281  1.0
  O  O25  1  0.695  0.386  0.076  1.0
  O  O26  1  0.107  0.843  0.755  1.0
  O  O27  1  0.327  0.577  0.000  1.0
  O  O28  1  0.843  0.107  0.255  1.0
  O  O29  1  0.577  0.327  0.500  1.0
  O  O30  1  0.570  0.057  0.718  1.0
  O  O31  1  0.022  0.465  0.941  1.0
  O  O32  1  0.057  0.570  0.218  1.0
  O  O33  1  0.465  0.022  0.441  1.0
  O  O34  1  0.295  0.145  0.659  1.0
  O  O35  1  0.145  0.295  0.159  1.0
  O  O36  1  0.028  0.117  0.853  1.0
  O  O37  1  0.117  0.028  0.353  1.0
[/CIF]
.