The structure described by LiCu(PO3)4 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(7), and one O(9) atom. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(4), one O(6), and one O(7) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(10), one O(4), one O(5), and one O(8) 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(7), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(1), one O(11), one O(12), and one O(3) atom to form corner-sharing PO4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(8) is bonded in a single-bond geometry to one P(2) atom. In the second O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one P(3) atom. In the third O site, O(10) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the fourth O site, O(11) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. In the fifth O site, O(12) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(4) atom. In the sixth O site, O(1) is bonded in a bent 120 degrees geometry to one Li(1) and one P(4) atom. In the seventh O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one P(1) atom. In the eighth O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the ninth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(2) atom. In the tenth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the eleventh O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the twelfth O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCu(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.815
_cell_length_b   7.815
_cell_length_c   8.337
_cell_angle_alpha   83.950
_cell_angle_beta   83.950
_cell_angle_gamma   101.427
_symmetry_Int_Tables_number   1
_cell_volume   492.092
_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  0.548  0.171  0.545  1.0
  Li  Li1  1  0.171  0.548  0.045  1.0
  Cu  Cu2  1  0.892  0.189  0.247  1.0
  Cu  Cu3  1  0.189  0.892  0.747  1.0
  P  P4  1  0.241  0.078  0.314  1.0
  P  P5  1  0.557  0.182  0.072  1.0
  P  P6  1  0.078  0.241  0.814  1.0
  P  P7  1  0.847  0.506  0.421  1.0
  P  P8  1  0.182  0.557  0.572  1.0
  P  P9  1  0.977  0.828  0.185  1.0
  P  P10  1  0.506  0.847  0.921  1.0
  P  P11  1  0.828  0.977  0.685  1.0
  O  O12  1  0.730  0.012  0.545  1.0
  O  O13  1  0.341  0.053  0.454  1.0
  O  O14  1  0.894  0.162  0.753  1.0
  O  O15  1  0.665  0.210  0.216  1.0
  O  O16  1  0.361  0.190  0.156  1.0
  O  O17  1  0.170  0.088  0.851  1.0
  O  O18  1  0.088  0.170  0.351  1.0
  O  O19  1  0.941  0.425  0.283  1.0
  O  O20  1  0.602  0.296  0.915  1.0
  O  O21  1  0.668  0.418  0.497  1.0
  O  O22  1  0.190  0.361  0.656  1.0
  O  O23  1  0.973  0.536  0.559  1.0
  O  O24  1  0.053  0.341  0.954  1.0
  O  O25  1  0.856  0.705  0.339  1.0
  O  O26  1  0.418  0.668  0.997  1.0
  O  O27  1  0.296  0.602  0.415  1.0
  O  O28  1  0.210  0.665  0.716  1.0
  O  O29  1  0.012  0.730  0.045  1.0
  O  O30  1  0.983  0.887  0.651  1.0
  O  O31  1  0.705  0.856  0.839  1.0
  O  O32  1  0.887  0.983  0.151  1.0
  O  O33  1  0.536  0.973  0.059  1.0
  O  O34  1  0.162  0.894  0.253  1.0
  O  O35  1  0.425  0.941  0.783  1.0
[/CIF]
.
The structure described by LiCu(PO3)4 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(7), and one O(9) atom. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(4), one O(6), and one O(7) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(10), one O(4), one O(5), and one O(8) 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(7), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(1), one O(11), one O(12), and one O(3) atom to form corner-sharing PO4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(8) is bonded in a single-bond geometry to one P(2) atom. In the second O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one P(3) atom. In the third O site, O(10) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the fourth O site, O(11) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. In the fifth O site, O(12) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(4) atom. In the sixth O site, O(1) is bonded in a bent 120 degrees geometry to one Li(1) and one P(4) atom. In the seventh O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one P(1) atom. In the eighth O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the ninth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(2) atom. In the tenth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the eleventh O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the twelfth O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCu(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.815
_cell_length_b   7.815
_cell_length_c   8.337
_cell_angle_alpha   83.950
_cell_angle_beta   83.950
_cell_angle_gamma   101.427
_symmetry_Int_Tables_number   1
_cell_volume   492.092
_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  0.548  0.171  0.545  1.0
  Li  Li1  1  0.171  0.548  0.045  1.0
  Cu  Cu2  1  0.892  0.189  0.247  1.0
  Cu  Cu3  1  0.189  0.892  0.747  1.0
  P  P4  1  0.241  0.078  0.314  1.0
  P  P5  1  0.557  0.182  0.072  1.0
  P  P6  1  0.078  0.241  0.814  1.0
  P  P7  1  0.847  0.506  0.421  1.0
  P  P8  1  0.182  0.557  0.572  1.0
  P  P9  1  0.977  0.828  0.185  1.0
  P  P10  1  0.506  0.847  0.921  1.0
  P  P11  1  0.828  0.977  0.685  1.0
  O  O12  1  0.730  0.012  0.545  1.0
  O  O13  1  0.341  0.053  0.454  1.0
  O  O14  1  0.894  0.162  0.753  1.0
  O  O15  1  0.665  0.210  0.216  1.0
  O  O16  1  0.361  0.190  0.156  1.0
  O  O17  1  0.170  0.088  0.851  1.0
  O  O18  1  0.088  0.170  0.351  1.0
  O  O19  1  0.941  0.425  0.283  1.0
  O  O20  1  0.602  0.296  0.915  1.0
  O  O21  1  0.668  0.418  0.497  1.0
  O  O22  1  0.190  0.361  0.656  1.0
  O  O23  1  0.973  0.536  0.559  1.0
  O  O24  1  0.053  0.341  0.954  1.0
  O  O25  1  0.856  0.705  0.339  1.0
  O  O26  1  0.418  0.668  0.997  1.0
  O  O27  1  0.296  0.602  0.415  1.0
  O  O28  1  0.210  0.665  0.716  1.0
  O  O29  1  0.012  0.730  0.045  1.0
  O  O30  1  0.983  0.887  0.651  1.0
  O  O31  1  0.705  0.856  0.839  1.0
  O  O32  1  0.887  0.983  0.151  1.0
  O  O33  1  0.536  0.973  0.059  1.0
  O  O34  1  0.162  0.894  0.253  1.0
  O  O35  1  0.425  0.941  0.783  1.0
[/CIF]
.