The compound described by LiCu(PO3)4 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(3), one O(8), and one O(9) atom. Cu(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(3), 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(1), one O(3), one O(5), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(11), one O(6), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(12), and one O(2) atom to form corner-sharing PO4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(8) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the second O site, O(9) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the third O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Cu(1), and one P(4) atom. In the fourth O site, O(11) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the fifth O site, O(12) is bonded in a distorted bent 150 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 P(1) and one P(2) atom. In the seventh O site, O(2) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. In the eighth O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one P(1) atom. In the ninth O site, O(4) is bonded in a distorted single-bond geometry to one Cu(1) and one P(3) atom. In the tenth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the eleventh O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(2) atom. In the twelfth O site, O(7) is bonded in a distorted bent 150 degrees geometry to 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   8.038
_cell_length_b   8.038
_cell_length_c   7.812
_cell_angle_alpha   86.788
_cell_angle_beta   86.788
_cell_angle_gamma   108.799
_symmetry_Int_Tables_number   1
_cell_volume   475.618
_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  0.492  0.185  0.184  1.0
  Li  Li1  1  0.185  0.492  0.684  1.0
  Cu  Cu2  1  0.136  0.864  0.259  1.0
  Cu  Cu3  1  0.864  0.136  0.759  1.0
  P  P4  1  0.439  0.742  0.360  1.0
  P  P5  1  0.233  0.553  0.103  1.0
  P  P6  1  0.952  0.789  0.696  1.0
  P  P7  1  0.742  0.439  0.860  1.0
  P  P8  1  0.553  0.233  0.603  1.0
  P  P9  1  0.070  0.221  0.341  1.0
  P  P10  1  0.221  0.070  0.841  1.0
  P  P11  1  0.789  0.952  0.196  1.0
  O  O12  1  0.413  0.621  0.198  1.0
  O  O13  1  0.127  0.871  0.795  1.0
  O  O14  1  0.871  0.127  0.295  1.0
  O  O15  1  0.896  0.368  0.813  1.0
  O  O16  1  0.989  0.703  0.542  1.0
  O  O17  1  0.831  0.649  0.846  1.0
  O  O18  1  0.639  0.103  0.682  1.0
  O  O19  1  0.929  0.863  0.162  1.0
  O  O20  1  0.863  0.929  0.662  1.0
  O  O21  1  0.640  0.378  0.027  1.0
  O  O22  1  0.621  0.413  0.698  1.0
  O  O23  1  0.563  0.268  0.415  1.0
  O  O24  1  0.649  0.831  0.346  1.0
  O  O25  1  0.703  0.989  0.042  1.0
  O  O26  1  0.073  0.316  0.499  1.0
  O  O27  1  0.348  0.155  0.672  1.0
  O  O28  1  0.316  0.073  0.999  1.0
  O  O29  1  0.378  0.640  0.527  1.0
  O  O30  1  0.164  0.081  0.352  1.0
  O  O31  1  0.268  0.563  0.915  1.0
  O  O32  1  0.081  0.164  0.852  1.0
  O  O33  1  0.368  0.896  0.313  1.0
  O  O34  1  0.155  0.348  0.172  1.0
  O  O35  1  0.103  0.639  0.182  1.0
[/CIF]
.
The compound described by LiCu(PO3)4 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(3), one O(8), and one O(9) atom. Cu(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(3), 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(1), one O(3), one O(5), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(11), one O(6), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(12), and one O(2) atom to form corner-sharing PO4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(8) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the second O site, O(9) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the third O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Cu(1), and one P(4) atom. In the fourth O site, O(11) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the fifth O site, O(12) is bonded in a distorted bent 150 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 P(1) and one P(2) atom. In the seventh O site, O(2) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. In the eighth O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one P(1) atom. In the ninth O site, O(4) is bonded in a distorted single-bond geometry to one Cu(1) and one P(3) atom. In the tenth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the eleventh O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(2) atom. In the twelfth O site, O(7) is bonded in a distorted bent 150 degrees geometry to 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   8.038
_cell_length_b   8.038
_cell_length_c   7.812
_cell_angle_alpha   86.788
_cell_angle_beta   86.788
_cell_angle_gamma   108.799
_symmetry_Int_Tables_number   1
_cell_volume   475.618
_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  0.492  0.185  0.184  1.0
  Li  Li1  1  0.185  0.492  0.684  1.0
  Cu  Cu2  1  0.136  0.864  0.259  1.0
  Cu  Cu3  1  0.864  0.136  0.759  1.0
  P  P4  1  0.439  0.742  0.360  1.0
  P  P5  1  0.233  0.553  0.103  1.0
  P  P6  1  0.952  0.789  0.696  1.0
  P  P7  1  0.742  0.439  0.860  1.0
  P  P8  1  0.553  0.233  0.603  1.0
  P  P9  1  0.070  0.221  0.341  1.0
  P  P10  1  0.221  0.070  0.841  1.0
  P  P11  1  0.789  0.952  0.196  1.0
  O  O12  1  0.413  0.621  0.198  1.0
  O  O13  1  0.127  0.871  0.795  1.0
  O  O14  1  0.871  0.127  0.295  1.0
  O  O15  1  0.896  0.368  0.813  1.0
  O  O16  1  0.989  0.703  0.542  1.0
  O  O17  1  0.831  0.649  0.846  1.0
  O  O18  1  0.639  0.103  0.682  1.0
  O  O19  1  0.929  0.863  0.162  1.0
  O  O20  1  0.863  0.929  0.662  1.0
  O  O21  1  0.640  0.378  0.027  1.0
  O  O22  1  0.621  0.413  0.698  1.0
  O  O23  1  0.563  0.268  0.415  1.0
  O  O24  1  0.649  0.831  0.346  1.0
  O  O25  1  0.703  0.989  0.042  1.0
  O  O26  1  0.073  0.316  0.499  1.0
  O  O27  1  0.348  0.155  0.672  1.0
  O  O28  1  0.316  0.073  0.999  1.0
  O  O29  1  0.378  0.640  0.527  1.0
  O  O30  1  0.164  0.081  0.352  1.0
  O  O31  1  0.268  0.563  0.915  1.0
  O  O32  1  0.081  0.164  0.852  1.0
  O  O33  1  0.368  0.896  0.313  1.0
  O  O34  1  0.155  0.348  0.172  1.0
  O  O35  1  0.103  0.639  0.182  1.0
[/CIF]
.