The material structure described by Li4FeCu3(PO4)4 is Hausmannite-derived structured and crystallizes in the monoclinic Pm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Cu(2)O6 pentagonal pyramids, corners with two equivalent Cu(3)O6 pentagonal pyramids,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(3) atom to form LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra,  an edgeedge with one Cu(2)O6 pentagonal pyramid,  an edgeedge with one Cu(3)O6 pentagonal pyramid,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-71°. Fe(1) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with four equivalent Li(2)O6 octahedra, corners with four equivalent Cu(2)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-68°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form distorted CuO6 octahedra that share corners with four equivalent Li(2)O6 octahedra, corners with four equivalent Cu(3)O6 pentagonal pyramids,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-71°. In the second Cu site, Cu(2) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form distorted CuO6 pentagonal pyramids that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-75°. In the third Cu site, Cu(3) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted CuO6 pentagonal pyramids that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-70°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one Cu(3)O6 pentagonal pyramid, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one Cu(3)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 50-56°. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one Cu(3)O6 pentagonal pyramid, corners with two equivalent Cu(2)O6 pentagonal pyramids,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-60°. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one Cu(2)O6 pentagonal pyramid, corners with two equivalent Cu(3)O6 pentagonal pyramids,  an edgeedge with one Cu(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Cu(2)O6 pentagonal pyramid, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one Cu(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 49-58°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2), one Fe(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cu(1), one Cu(3), and one P(1) atom. In the third O site, O(3) is bonded to two equivalent Li(2), one Cu(2), and one P(4) atom to form distorted corner-sharing OLi2CuP tetrahedra. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Cu(1), and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(1), one Cu(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Cu(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Cu(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cu(1), one Cu(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Fe(1), and one P(2) atom. In the tenth O site, O(10) is bonded to two equivalent Li(2), one Cu(3), and one P(1) atom to form distorted corner-sharing OLi2CuP trigonal pyramids. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Fe(1), one Cu(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Cu(1), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4FeCu3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.106
_cell_length_b   4.765
_cell_length_c   10.079
_cell_angle_alpha   89.419
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   293.250
_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  0.257  0.001  0.009  1.0
  Li  Li1  1  0.743  0.001  0.009  1.0
  Li  Li2  1  0.746  0.497  0.493  1.0
  Li  Li3  1  0.254  0.497  0.493  1.0
  Fe  Fe4  1  0.000  0.019  0.719  1.0
  Cu  Cu5  1  0.500  0.958  0.285  1.0
  Cu  Cu6  1  0.500  0.555  0.786  1.0
  Cu  Cu7  1  0.000  0.450  0.216  1.0
  P  P8  1  0.000  0.918  0.404  1.0
  P  P9  1  0.000  0.587  0.905  1.0
  P  P10  1  0.500  0.423  0.095  1.0
  P  P11  1  0.500  0.075  0.596  1.0
  O  O12  1  0.000  0.802  0.552  1.0
  O  O13  1  0.204  0.782  0.338  1.0
  O  O14  1  0.796  0.782  0.338  1.0
  O  O15  1  0.500  0.751  0.601  1.0
  O  O16  1  0.500  0.746  0.098  1.0
  O  O17  1  0.197  0.735  0.831  1.0
  O  O18  1  0.803  0.735  0.831  1.0
  O  O19  1  0.000  0.694  0.049  1.0
  O  O20  1  0.500  0.312  0.949  1.0
  O  O21  1  0.703  0.284  0.163  1.0
  O  O22  1  0.297  0.284  0.163  1.0
  O  O23  1  0.000  0.266  0.892  1.0
  O  O24  1  0.000  0.241  0.401  1.0
  O  O25  1  0.709  0.201  0.665  1.0
  O  O26  1  0.291  0.201  0.665  1.0
  O  O27  1  0.500  0.201  0.453  1.0
[/CIF]
.
The material structure described by Li4FeCu3(PO4)4 is Hausmannite-derived structured and crystallizes in the monoclinic Pm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Cu(2)O6 pentagonal pyramids, corners with two equivalent Cu(3)O6 pentagonal pyramids,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(3) atom to form LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra,  an edgeedge with one Cu(2)O6 pentagonal pyramid,  an edgeedge with one Cu(3)O6 pentagonal pyramid,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-71°. Fe(1) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with four equivalent Li(2)O6 octahedra, corners with four equivalent Cu(2)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-68°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form distorted CuO6 octahedra that share corners with four equivalent Li(2)O6 octahedra, corners with four equivalent Cu(3)O6 pentagonal pyramids,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-71°. In the second Cu site, Cu(2) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form distorted CuO6 pentagonal pyramids that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-75°. In the third Cu site, Cu(3) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted CuO6 pentagonal pyramids that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-70°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one Cu(3)O6 pentagonal pyramid, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one Cu(3)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 50-56°. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one Cu(3)O6 pentagonal pyramid, corners with two equivalent Cu(2)O6 pentagonal pyramids,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-60°. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one Cu(2)O6 pentagonal pyramid, corners with two equivalent Cu(3)O6 pentagonal pyramids,  an edgeedge with one Cu(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Cu(2)O6 pentagonal pyramid, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one Cu(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 49-58°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2), one Fe(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cu(1), one Cu(3), and one P(1) atom. In the third O site, O(3) is bonded to two equivalent Li(2), one Cu(2), and one P(4) atom to form distorted corner-sharing OLi2CuP tetrahedra. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Cu(1), and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(1), one Cu(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Cu(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Cu(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cu(1), one Cu(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Fe(1), and one P(2) atom. In the tenth O site, O(10) is bonded to two equivalent Li(2), one Cu(3), and one P(1) atom to form distorted corner-sharing OLi2CuP trigonal pyramids. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Fe(1), one Cu(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Cu(1), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4FeCu3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.106
_cell_length_b   4.765
_cell_length_c   10.079
_cell_angle_alpha   89.419
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   293.250
_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  0.257  0.001  0.009  1.0
  Li  Li1  1  0.743  0.001  0.009  1.0
  Li  Li2  1  0.746  0.497  0.493  1.0
  Li  Li3  1  0.254  0.497  0.493  1.0
  Fe  Fe4  1  0.000  0.019  0.719  1.0
  Cu  Cu5  1  0.500  0.958  0.285  1.0
  Cu  Cu6  1  0.500  0.555  0.786  1.0
  Cu  Cu7  1  0.000  0.450  0.216  1.0
  P  P8  1  0.000  0.918  0.404  1.0
  P  P9  1  0.000  0.587  0.905  1.0
  P  P10  1  0.500  0.423  0.095  1.0
  P  P11  1  0.500  0.075  0.596  1.0
  O  O12  1  0.000  0.802  0.552  1.0
  O  O13  1  0.204  0.782  0.338  1.0
  O  O14  1  0.796  0.782  0.338  1.0
  O  O15  1  0.500  0.751  0.601  1.0
  O  O16  1  0.500  0.746  0.098  1.0
  O  O17  1  0.197  0.735  0.831  1.0
  O  O18  1  0.803  0.735  0.831  1.0
  O  O19  1  0.000  0.694  0.049  1.0
  O  O20  1  0.500  0.312  0.949  1.0
  O  O21  1  0.703  0.284  0.163  1.0
  O  O22  1  0.297  0.284  0.163  1.0
  O  O23  1  0.000  0.266  0.892  1.0
  O  O24  1  0.000  0.241  0.401  1.0
  O  O25  1  0.709  0.201  0.665  1.0
  O  O26  1  0.291  0.201  0.665  1.0
  O  O27  1  0.500  0.201  0.453  1.0
[/CIF]
.