The structure described by Li4Cu7(PO4)6 crystallizes in the monoclinic Cm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(10) atoms. In the second Li site, Li(2) is bonded in a distorted T-shaped geometry to one O(5), one O(7), and one O(9) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to two equivalent O(4) and two equivalent O(8) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(12), one O(13), one O(14), one O(3), one O(8), and one O(9) atom to form distorted CuO6 octahedra that share  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Cu(4)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(1), one O(13), one O(5), one O(6), and one O(9) atom. In the third Cu site, Cu(3) is bonded to one O(11), one O(2), two equivalent O(4), and two equivalent O(8) atoms to form distorted CuO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 62-64°. In the fourth Cu site, Cu(4) is bonded to one O(1), one O(10), one O(12), one O(3), one O(4), and one O(5) atom to form distorted CuO6 octahedra that share  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 64°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Cu(4)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the second P site, P(2) is bonded to one O(2), one O(6), and two equivalent O(1) atoms to form PO4 tetrahedra that share  a cornercorner with one Cu(3)O6 octahedra and corners with two equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. In the third P site, P(3) is bonded to one O(11), one O(7), and two equivalent O(13) atoms to form PO4 tetrahedra that share  a cornercorner with one Cu(3)O6 octahedra and corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra, corners with two equivalent Cu(4)O6 octahedra, and  an edgeedge with one Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(4), and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Cu(3), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(4), and one P(1) atom. In the fourth O site, O(4) is bonded to one Li(3), one Cu(3), one Cu(4), and one P(1) atom to form distorted edge-sharing OLiCu2P tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Cu(2), one Cu(4), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Cu(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(3), one Cu(1), one Cu(3), and one P(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(2), one Cu(1), one Cu(2), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(4), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Cu(3) and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(4), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Cu(1) and one P(1) atom. is represented by the CIF file [CIF]
data_Li4Cu7(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.906
_cell_length_b   8.906
_cell_length_c   6.254
_cell_angle_alpha   80.928
_cell_angle_beta   80.928
_cell_angle_gamma   103.094
_symmetry_Int_Tables_number   1
_cell_volume   467.427
_cell_formula_units_Z   1
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  0.730  0.730  0.528  1.0
  Li  Li1  1  0.541  0.287  0.531  1.0
  Li  Li2  1  0.287  0.541  0.531  1.0
  Li  Li3  1  0.056  0.056  0.513  1.0
  Cu  Cu4  1  0.985  0.360  0.181  1.0
  Cu  Cu5  1  0.360  0.985  0.181  1.0
  Cu  Cu6  1  0.626  0.376  0.998  1.0
  Cu  Cu7  1  0.376  0.626  0.998  1.0
  Cu  Cu8  1  0.007  0.007  0.001  1.0
  Cu  Cu9  1  0.650  0.007  0.817  1.0
  Cu  Cu10  1  0.007  0.650  0.817  1.0
  P  P11  1  0.285  0.904  0.712  1.0
  P  P12  1  0.904  0.285  0.712  1.0
  P  P13  1  0.672  0.672  0.072  1.0
  P  P14  1  0.321  0.321  0.923  1.0
  P  P15  1  0.715  0.085  0.292  1.0
  P  P16  1  0.085  0.715  0.292  1.0
  O  O17  1  0.589  0.767  0.912  1.0
  O  O18  1  0.767  0.589  0.912  1.0
  O  O19  1  0.769  0.769  0.199  1.0
  O  O20  1  0.975  0.389  0.867  1.0
  O  O21  1  0.389  0.975  0.867  1.0
  O  O22  1  0.104  0.901  0.772  1.0
  O  O23  1  0.901  0.104  0.772  1.0
  O  O24  1  0.726  0.282  0.733  1.0
  O  O25  1  0.282  0.726  0.733  1.0
  O  O26  1  0.534  0.534  0.216  1.0
  O  O27  1  0.440  0.440  0.727  1.0
  O  O28  1  0.110  0.900  0.217  1.0
  O  O29  1  0.900  0.110  0.217  1.0
  O  O30  1  0.696  0.253  0.295  1.0
  O  O31  1  0.253  0.696  0.295  1.0
  O  O32  1  0.665  0.969  0.517  1.0
  O  O33  1  0.969  0.665  0.517  1.0
  O  O34  1  0.205  0.205  0.837  1.0
  O  O35  1  0.615  0.013  0.133  1.0
  O  O36  1  0.013  0.615  0.133  1.0
  O  O37  1  0.417  0.235  0.071  1.0
  O  O38  1  0.235  0.417  0.071  1.0
  O  O39  1  0.013  0.348  0.482  1.0
  O  O40  1  0.348  0.013  0.482  1.0
[/CIF]
.
The structure described by Li4Cu7(PO4)6 crystallizes in the monoclinic Cm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(10) atoms. In the second Li site, Li(2) is bonded in a distorted T-shaped geometry to one O(5), one O(7), and one O(9) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to two equivalent O(4) and two equivalent O(8) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(12), one O(13), one O(14), one O(3), one O(8), and one O(9) atom to form distorted CuO6 octahedra that share  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Cu(4)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(1), one O(13), one O(5), one O(6), and one O(9) atom. In the third Cu site, Cu(3) is bonded to one O(11), one O(2), two equivalent O(4), and two equivalent O(8) atoms to form distorted CuO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 62-64°. In the fourth Cu site, Cu(4) is bonded to one O(1), one O(10), one O(12), one O(3), one O(4), and one O(5) atom to form distorted CuO6 octahedra that share  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 64°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Cu(4)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the second P site, P(2) is bonded to one O(2), one O(6), and two equivalent O(1) atoms to form PO4 tetrahedra that share  a cornercorner with one Cu(3)O6 octahedra and corners with two equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. In the third P site, P(3) is bonded to one O(11), one O(7), and two equivalent O(13) atoms to form PO4 tetrahedra that share  a cornercorner with one Cu(3)O6 octahedra and corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra, corners with two equivalent Cu(4)O6 octahedra, and  an edgeedge with one Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(4), and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Cu(3), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(4), and one P(1) atom. In the fourth O site, O(4) is bonded to one Li(3), one Cu(3), one Cu(4), and one P(1) atom to form distorted edge-sharing OLiCu2P tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Cu(2), one Cu(4), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Cu(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(3), one Cu(1), one Cu(3), and one P(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(2), one Cu(1), one Cu(2), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(4), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Cu(3) and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(4), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Cu(1) and one P(1) atom. is represented by the CIF file [CIF]
data_Li4Cu7(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.906
_cell_length_b   8.906
_cell_length_c   6.254
_cell_angle_alpha   80.928
_cell_angle_beta   80.928
_cell_angle_gamma   103.094
_symmetry_Int_Tables_number   1
_cell_volume   467.427
_cell_formula_units_Z   1
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  0.730  0.730  0.528  1.0
  Li  Li1  1  0.541  0.287  0.531  1.0
  Li  Li2  1  0.287  0.541  0.531  1.0
  Li  Li3  1  0.056  0.056  0.513  1.0
  Cu  Cu4  1  0.985  0.360  0.181  1.0
  Cu  Cu5  1  0.360  0.985  0.181  1.0
  Cu  Cu6  1  0.626  0.376  0.998  1.0
  Cu  Cu7  1  0.376  0.626  0.998  1.0
  Cu  Cu8  1  0.007  0.007  0.001  1.0
  Cu  Cu9  1  0.650  0.007  0.817  1.0
  Cu  Cu10  1  0.007  0.650  0.817  1.0
  P  P11  1  0.285  0.904  0.712  1.0
  P  P12  1  0.904  0.285  0.712  1.0
  P  P13  1  0.672  0.672  0.072  1.0
  P  P14  1  0.321  0.321  0.923  1.0
  P  P15  1  0.715  0.085  0.292  1.0
  P  P16  1  0.085  0.715  0.292  1.0
  O  O17  1  0.589  0.767  0.912  1.0
  O  O18  1  0.767  0.589  0.912  1.0
  O  O19  1  0.769  0.769  0.199  1.0
  O  O20  1  0.975  0.389  0.867  1.0
  O  O21  1  0.389  0.975  0.867  1.0
  O  O22  1  0.104  0.901  0.772  1.0
  O  O23  1  0.901  0.104  0.772  1.0
  O  O24  1  0.726  0.282  0.733  1.0
  O  O25  1  0.282  0.726  0.733  1.0
  O  O26  1  0.534  0.534  0.216  1.0
  O  O27  1  0.440  0.440  0.727  1.0
  O  O28  1  0.110  0.900  0.217  1.0
  O  O29  1  0.900  0.110  0.217  1.0
  O  O30  1  0.696  0.253  0.295  1.0
  O  O31  1  0.253  0.696  0.295  1.0
  O  O32  1  0.665  0.969  0.517  1.0
  O  O33  1  0.969  0.665  0.517  1.0
  O  O34  1  0.205  0.205  0.837  1.0
  O  O35  1  0.615  0.013  0.133  1.0
  O  O36  1  0.013  0.615  0.133  1.0
  O  O37  1  0.417  0.235  0.071  1.0
  O  O38  1  0.235  0.417  0.071  1.0
  O  O39  1  0.013  0.348  0.482  1.0
  O  O40  1  0.348  0.013  0.482  1.0
[/CIF]
.