The material structure described by LiCu2(PO3)5 crystallizes in the monoclinic Pc space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(14), and one O(15) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a see-saw-like geometry to one O(13), one O(14), one O(5), and one O(6) atom. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(11), one O(2), and one O(3) atom. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(11), one O(5), 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(10), one O(12), one O(13), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the fifth P site, P(5) is bonded to one O(12), one O(14), one O(15), and one O(9) atom to form corner-sharing PO4 tetrahedra. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Cu(2), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(2) 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 bent 120 degrees geometry to one Cu(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(3) and one P(5) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cu(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(4) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Li(1) and one P(5) atom. is represented by the CIF card [CIF]
data_LiCu2(PO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.928
_cell_length_b   5.621
_cell_length_c   13.361
_cell_angle_alpha   65.645
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   610.827
_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  0.989  0.094  0.463  1.0
  Li  Li1  1  0.011  0.094  0.963  1.0
  Cu  Cu2  1  0.303  0.139  0.069  1.0
  Cu  Cu3  1  0.296  0.870  0.437  1.0
  Cu  Cu4  1  0.697  0.139  0.569  1.0
  Cu  Cu5  1  0.704  0.870  0.937  1.0
  P  P6  1  0.825  0.322  0.085  1.0
  P  P7  1  0.533  0.459  0.144  1.0
  P  P8  1  0.052  0.002  0.250  1.0
  P  P9  1  0.532  0.542  0.358  1.0
  P  P10  1  0.830  0.673  0.413  1.0
  P  P11  1  0.175  0.322  0.585  1.0
  P  P12  1  0.467  0.459  0.644  1.0
  P  P13  1  0.948  0.002  0.750  1.0
  P  P14  1  0.468  0.542  0.858  1.0
  P  P15  1  0.170  0.673  0.913  1.0
  O  O16  1  0.836  0.145  0.028  1.0
  O  O17  1  0.851  0.612  0.027  1.0
  O  O18  1  0.544  0.721  0.045  1.0
  O  O19  1  0.663  0.264  0.144  1.0
  O  O20  1  0.145  0.941  0.169  1.0
  O  O21  1  0.387  0.312  0.164  1.0
  O  O22  1  0.938  0.239  0.190  1.0
  O  O23  1  0.580  0.495  0.252  1.0
  O  O24  1  0.941  0.759  0.307  1.0
  O  O25  1  0.389  0.691  0.338  1.0
  O  O26  1  0.132  0.069  0.336  1.0
  O  O27  1  0.666  0.731  0.358  1.0
  O  O28  1  0.542  0.279  0.457  1.0
  O  O29  1  0.854  0.381  0.468  1.0
  O  O30  1  0.843  0.844  0.473  1.0
  O  O31  1  0.164  0.145  0.528  1.0
  O  O32  1  0.149  0.612  0.527  1.0
  O  O33  1  0.456  0.721  0.545  1.0
  O  O34  1  0.337  0.264  0.644  1.0
  O  O35  1  0.855  0.941  0.669  1.0
  O  O36  1  0.613  0.312  0.664  1.0
  O  O37  1  0.062  0.239  0.690  1.0
  O  O38  1  0.420  0.495  0.752  1.0
  O  O39  1  0.059  0.759  0.807  1.0
  O  O40  1  0.611  0.691  0.838  1.0
  O  O41  1  0.868  0.069  0.836  1.0
  O  O42  1  0.334  0.731  0.858  1.0
  O  O43  1  0.458  0.279  0.957  1.0
  O  O44  1  0.146  0.381  0.968  1.0
  O  O45  1  0.157  0.844  0.973  1.0
[/CIF]
.
The material structure described by LiCu2(PO3)5 crystallizes in the monoclinic Pc space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(14), and one O(15) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a see-saw-like geometry to one O(13), one O(14), one O(5), and one O(6) atom. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(11), one O(2), and one O(3) atom. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(11), one O(5), 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(10), one O(12), one O(13), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the fifth P site, P(5) is bonded to one O(12), one O(14), one O(15), and one O(9) atom to form corner-sharing PO4 tetrahedra. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Cu(2), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(2) 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 bent 120 degrees geometry to one Cu(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(3) and one P(5) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cu(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(4) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Li(1) and one P(5) atom. is represented by the CIF card [CIF]
data_LiCu2(PO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.928
_cell_length_b   5.621
_cell_length_c   13.361
_cell_angle_alpha   65.645
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   610.827
_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  0.989  0.094  0.463  1.0
  Li  Li1  1  0.011  0.094  0.963  1.0
  Cu  Cu2  1  0.303  0.139  0.069  1.0
  Cu  Cu3  1  0.296  0.870  0.437  1.0
  Cu  Cu4  1  0.697  0.139  0.569  1.0
  Cu  Cu5  1  0.704  0.870  0.937  1.0
  P  P6  1  0.825  0.322  0.085  1.0
  P  P7  1  0.533  0.459  0.144  1.0
  P  P8  1  0.052  0.002  0.250  1.0
  P  P9  1  0.532  0.542  0.358  1.0
  P  P10  1  0.830  0.673  0.413  1.0
  P  P11  1  0.175  0.322  0.585  1.0
  P  P12  1  0.467  0.459  0.644  1.0
  P  P13  1  0.948  0.002  0.750  1.0
  P  P14  1  0.468  0.542  0.858  1.0
  P  P15  1  0.170  0.673  0.913  1.0
  O  O16  1  0.836  0.145  0.028  1.0
  O  O17  1  0.851  0.612  0.027  1.0
  O  O18  1  0.544  0.721  0.045  1.0
  O  O19  1  0.663  0.264  0.144  1.0
  O  O20  1  0.145  0.941  0.169  1.0
  O  O21  1  0.387  0.312  0.164  1.0
  O  O22  1  0.938  0.239  0.190  1.0
  O  O23  1  0.580  0.495  0.252  1.0
  O  O24  1  0.941  0.759  0.307  1.0
  O  O25  1  0.389  0.691  0.338  1.0
  O  O26  1  0.132  0.069  0.336  1.0
  O  O27  1  0.666  0.731  0.358  1.0
  O  O28  1  0.542  0.279  0.457  1.0
  O  O29  1  0.854  0.381  0.468  1.0
  O  O30  1  0.843  0.844  0.473  1.0
  O  O31  1  0.164  0.145  0.528  1.0
  O  O32  1  0.149  0.612  0.527  1.0
  O  O33  1  0.456  0.721  0.545  1.0
  O  O34  1  0.337  0.264  0.644  1.0
  O  O35  1  0.855  0.941  0.669  1.0
  O  O36  1  0.613  0.312  0.664  1.0
  O  O37  1  0.062  0.239  0.690  1.0
  O  O38  1  0.420  0.495  0.752  1.0
  O  O39  1  0.059  0.759  0.807  1.0
  O  O40  1  0.611  0.691  0.838  1.0
  O  O41  1  0.868  0.069  0.836  1.0
  O  O42  1  0.334  0.731  0.858  1.0
  O  O43  1  0.458  0.279  0.957  1.0
  O  O44  1  0.146  0.381  0.968  1.0
  O  O45  1  0.157  0.844  0.973  1.0
[/CIF]
.