The compound described by LiCu4(PO4)3 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(11) and two equivalent O(2) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(5), and one O(6) atom to form CuO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Cu(4)O6 octahedra. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(4), one O(6), one O(7), and one O(9) atom. In the third Cu site, Cu(3) is bonded in a distorted square co-planar geometry to one O(5), one O(8), one O(9), and two equivalent O(4) atoms. In the fourth Cu site, Cu(4) is bonded to one O(1), one O(11), one O(12), one O(3), one O(7), and one O(8) atom to form CuO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, and  an edgeedge with one Cu(1)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(2), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(4)O6 octahedra and corners with three equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-60°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. In the third P site, P(3) is bonded to one O(11), one O(12), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra and corners with three equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(4), and one P(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Cu(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLi2CuP trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(4), and one P(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Cu(2), two equivalent Cu(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Cu(1), one Cu(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(4), and one P(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Cu(3), one Cu(4), and one P(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(3), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one P(1) atom. In the eleventh O site, O(11) is bonded to two equivalent Li(1), one Cu(4), and one P(3) atom to form a mixture of distorted corner and edge-sharing OLi2CuP trigonal pyramids. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(4), and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCu4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.655
_cell_length_b   8.655
_cell_length_c   6.387
_cell_angle_alpha   71.364
_cell_angle_beta   108.636
_cell_angle_gamma   87.304
_symmetry_Int_Tables_number   1
_cell_volume   423.648
_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  0.024  0.024  0.749  1.0
  Li  Li1  1  0.976  0.976  0.249  1.0
  Cu  Cu2  1  0.062  0.622  0.638  1.0
  Cu  Cu3  1  0.378  0.938  0.138  1.0
  Cu  Cu4  1  0.750  0.750  0.753  1.0
  Cu  Cu5  1  0.499  0.505  0.505  1.0
  Cu  Cu6  1  0.250  0.249  0.253  1.0
  Cu  Cu7  1  0.495  0.501  0.005  1.0
  Cu  Cu8  1  0.621  0.066  0.859  1.0
  Cu  Cu9  1  0.934  0.379  0.359  1.0
  P  P10  1  0.336  0.873  0.639  1.0
  P  P11  1  0.127  0.664  0.139  1.0
  P  P12  1  0.295  0.298  0.751  1.0
  P  P13  1  0.702  0.705  0.251  1.0
  P  P14  1  0.872  0.339  0.861  1.0
  P  P15  1  0.661  0.128  0.361  1.0
  O  O16  1  0.396  0.962  0.821  1.0
  O  O17  1  0.155  0.847  0.605  1.0
  O  O18  1  0.038  0.604  0.321  1.0
  O  O19  1  0.153  0.845  0.105  1.0
  O  O20  1  0.663  0.003  0.600  1.0
  O  O21  1  0.461  0.711  0.720  1.0
  O  O22  1  0.279  0.473  0.776  1.0
  O  O23  1  0.997  0.337  0.100  1.0
  O  O24  1  0.266  0.180  0.973  1.0
  O  O25  1  0.180  0.267  0.530  1.0
  O  O26  1  0.289  0.539  0.220  1.0
  O  O27  1  0.527  0.721  0.276  1.0
  O  O28  1  0.471  0.286  0.729  1.0
  O  O29  1  0.713  0.466  0.785  1.0
  O  O30  1  0.820  0.734  0.473  1.0
  O  O31  1  0.733  0.820  0.030  1.0
  O  O32  1  0.004  0.663  0.901  1.0
  O  O33  1  0.714  0.529  0.229  1.0
  O  O34  1  0.534  0.287  0.285  1.0
  O  O35  1  0.337  0.996  0.401  1.0
  O  O36  1  0.842  0.158  0.896  1.0
  O  O37  1  0.959  0.395  0.679  1.0
  O  O38  1  0.842  0.158  0.396  1.0
  O  O39  1  0.605  0.041  0.179  1.0
[/CIF]
.
The compound described by LiCu4(PO4)3 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(11) and two equivalent O(2) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(5), and one O(6) atom to form CuO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Cu(4)O6 octahedra. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(4), one O(6), one O(7), and one O(9) atom. In the third Cu site, Cu(3) is bonded in a distorted square co-planar geometry to one O(5), one O(8), one O(9), and two equivalent O(4) atoms. In the fourth Cu site, Cu(4) is bonded to one O(1), one O(11), one O(12), one O(3), one O(7), and one O(8) atom to form CuO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, and  an edgeedge with one Cu(1)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(2), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(4)O6 octahedra and corners with three equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-60°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. In the third P site, P(3) is bonded to one O(11), one O(12), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra and corners with three equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(4), and one P(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Cu(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLi2CuP trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(4), and one P(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Cu(2), two equivalent Cu(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Cu(1), one Cu(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(4), and one P(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Cu(3), one Cu(4), and one P(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(3), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one P(1) atom. In the eleventh O site, O(11) is bonded to two equivalent Li(1), one Cu(4), and one P(3) atom to form a mixture of distorted corner and edge-sharing OLi2CuP trigonal pyramids. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(4), and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCu4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.655
_cell_length_b   8.655
_cell_length_c   6.387
_cell_angle_alpha   71.364
_cell_angle_beta   108.636
_cell_angle_gamma   87.304
_symmetry_Int_Tables_number   1
_cell_volume   423.648
_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  0.024  0.024  0.749  1.0
  Li  Li1  1  0.976  0.976  0.249  1.0
  Cu  Cu2  1  0.062  0.622  0.638  1.0
  Cu  Cu3  1  0.378  0.938  0.138  1.0
  Cu  Cu4  1  0.750  0.750  0.753  1.0
  Cu  Cu5  1  0.499  0.505  0.505  1.0
  Cu  Cu6  1  0.250  0.249  0.253  1.0
  Cu  Cu7  1  0.495  0.501  0.005  1.0
  Cu  Cu8  1  0.621  0.066  0.859  1.0
  Cu  Cu9  1  0.934  0.379  0.359  1.0
  P  P10  1  0.336  0.873  0.639  1.0
  P  P11  1  0.127  0.664  0.139  1.0
  P  P12  1  0.295  0.298  0.751  1.0
  P  P13  1  0.702  0.705  0.251  1.0
  P  P14  1  0.872  0.339  0.861  1.0
  P  P15  1  0.661  0.128  0.361  1.0
  O  O16  1  0.396  0.962  0.821  1.0
  O  O17  1  0.155  0.847  0.605  1.0
  O  O18  1  0.038  0.604  0.321  1.0
  O  O19  1  0.153  0.845  0.105  1.0
  O  O20  1  0.663  0.003  0.600  1.0
  O  O21  1  0.461  0.711  0.720  1.0
  O  O22  1  0.279  0.473  0.776  1.0
  O  O23  1  0.997  0.337  0.100  1.0
  O  O24  1  0.266  0.180  0.973  1.0
  O  O25  1  0.180  0.267  0.530  1.0
  O  O26  1  0.289  0.539  0.220  1.0
  O  O27  1  0.527  0.721  0.276  1.0
  O  O28  1  0.471  0.286  0.729  1.0
  O  O29  1  0.713  0.466  0.785  1.0
  O  O30  1  0.820  0.734  0.473  1.0
  O  O31  1  0.733  0.820  0.030  1.0
  O  O32  1  0.004  0.663  0.901  1.0
  O  O33  1  0.714  0.529  0.229  1.0
  O  O34  1  0.534  0.287  0.285  1.0
  O  O35  1  0.337  0.996  0.401  1.0
  O  O36  1  0.842  0.158  0.896  1.0
  O  O37  1  0.959  0.395  0.679  1.0
  O  O38  1  0.842  0.158  0.396  1.0
  O  O39  1  0.605  0.041  0.179  1.0
[/CIF]
.