The crystal structure described by Li5Fe2Cu5O12 crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Cu(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Cu(3)O6 octahedra,  an edgeedge with one Cu(4)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-17°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Cu(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Cu(3)O6 octahedra,  an edgeedge with one Cu(4)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-17°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-16°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Cu(1)O6 octahedra, and edges with three equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form distorted CuO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with three equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-17°. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), one O(4), and one O(6) atom. In the third Cu site, Cu(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form distorted CuO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with three equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-17°. In the fourth Cu site, Cu(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted CuO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Fe(1), and one Cu(4) atom. In the second O site, O(6) is bonded to one Li(1), one Li(2), one Fe(2), one Cu(1), one Cu(2), and one Cu(3) atom to form distorted OLi2FeCu3 octahedra that share  a cornercorner with one O(4)Li2FeCu3 octahedra,  a cornercorner with one O(6)Li2FeCu3 octahedra,  a cornercorner with one O(1)Li3FeCu2 octahedra,  a cornercorner with one O(3)Li3FeCu2 octahedra, corners with two equivalent O(2)Li2FeCu2 square pyramids,  an edgeedge with one O(6)Li2FeCu3 octahedra,  an edgeedge with one O(1)Li3FeCu2 octahedra,  an edgeedge with one O(3)Li3FeCu2 octahedra, edges with four equivalent O(4)Li2FeCu3 octahedra, and edges with three equivalent O(2)Li2FeCu2 square pyramids. The corner-sharing octahedral tilt angles range from 1-3°. In the third O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Fe(1), one Cu(2), and one Cu(4) atom to form distorted OLi3FeCu2 octahedra that share  a cornercorner with one O(4)Li2FeCu3 octahedra,  a cornercorner with one O(6)Li2FeCu3 octahedra,  a cornercorner with one O(1)Li3FeCu2 octahedra,  a cornercorner with one O(3)Li3FeCu2 octahedra, corners with two equivalent O(2)Li2FeCu2 square pyramids,  an edgeedge with one O(4)Li2FeCu3 octahedra,  an edgeedge with one O(6)Li2FeCu3 octahedra,  an edgeedge with one O(1)Li3FeCu2 octahedra, and edges with four equivalent O(3)Li3FeCu2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the fourth O site, O(2) is bonded to one Li(1), one Li(2), one Fe(2), one Cu(1), and one Cu(3) atom to form distorted OLi2FeCu2 square pyramids that share corners with two equivalent O(4)Li2FeCu3 octahedra, corners with two equivalent O(6)Li2FeCu3 octahedra, corners with two equivalent O(1)Li3FeCu2 octahedra, corners with two equivalent O(3)Li3FeCu2 octahedra,  a cornercorner with one O(2)Li2FeCu2 square pyramid, edges with three equivalent O(4)Li2FeCu3 octahedra, edges with three equivalent O(6)Li2FeCu3 octahedra, and  an edgeedge with one O(2)Li2FeCu2 square pyramid. The corner-sharing octahedral tilt angles range from 12-85°. In the fifth O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Fe(1), one Cu(2), and one Cu(4) atom to form OLi3FeCu2 octahedra that share  a cornercorner with one O(4)Li2FeCu3 octahedra,  a cornercorner with one O(6)Li2FeCu3 octahedra,  a cornercorner with one O(1)Li3FeCu2 octahedra,  a cornercorner with one O(3)Li3FeCu2 octahedra, corners with two equivalent O(2)Li2FeCu2 square pyramids,  an edgeedge with one O(4)Li2FeCu3 octahedra,  an edgeedge with one O(6)Li2FeCu3 octahedra,  an edgeedge with one O(3)Li3FeCu2 octahedra, and edges with four equivalent O(1)Li3FeCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the sixth O site, O(4) is bonded to one Li(1), one Li(2), one Fe(2), one Cu(1), one Cu(2), and one Cu(3) atom to form distorted OLi2FeCu3 octahedra that share  a cornercorner with one O(4)Li2FeCu3 octahedra,  a cornercorner with one O(6)Li2FeCu3 octahedra,  a cornercorner with one O(1)Li3FeCu2 octahedra,  a cornercorner with one O(3)Li3FeCu2 octahedra, corners with two equivalent O(2)Li2FeCu2 square pyramids,  an edgeedge with one O(4)Li2FeCu3 octahedra,  an edgeedge with one O(1)Li3FeCu2 octahedra,  an edgeedge with one O(3)Li3FeCu2 octahedra, edges with four equivalent O(6)Li2FeCu3 octahedra, and edges with three equivalent O(2)Li2FeCu2 square pyramids. The corner-sharing octahedral tilt angles range from 2-4°. is represented by the CIF file [CIF]
data_Li5Fe2Cu5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.062
_cell_length_b   5.062
_cell_length_c   9.713
_cell_angle_alpha   88.852
_cell_angle_beta   91.148
_cell_angle_gamma   65.851
_symmetry_Int_Tables_number   1
_cell_volume   226.958
_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  0.168  0.665  0.506  1.0
  Li  Li1  1  0.323  0.846  0.995  1.0
  Li  Li2  1  0.665  0.168  0.994  1.0
  Li  Li3  1  0.846  0.323  0.505  1.0
  Li  Li4  1  0.914  0.914  0.750  1.0
  Fe  Fe5  1  0.245  0.245  0.750  1.0
  Fe  Fe6  1  0.749  0.749  0.250  1.0
  Cu  Cu7  1  0.078  0.078  0.250  1.0
  Cu  Cu8  1  0.993  0.515  0.999  1.0
  Cu  Cu9  1  0.515  0.993  0.501  1.0
  Cu  Cu10  1  0.420  0.420  0.250  1.0
  Cu  Cu11  1  0.584  0.584  0.750  1.0
  O  O12  1  0.984  0.213  0.886  1.0
  O  O13  1  0.213  0.984  0.614  1.0
  O  O14  1  0.100  0.402  0.349  1.0
  O  O15  1  0.402  0.100  0.151  1.0
  O  O16  1  0.305  0.525  0.870  1.0
  O  O17  1  0.525  0.305  0.630  1.0
  O  O18  1  0.482  0.682  0.378  1.0
  O  O19  1  0.682  0.482  0.122  1.0
  O  O20  1  0.575  0.906  0.852  1.0
  O  O21  1  0.906  0.575  0.648  1.0
  O  O22  1  0.818  0.008  0.384  1.0
  O  O23  1  0.008  0.818  0.116  1.0
[/CIF]
.
The crystal structure described by Li5Fe2Cu5O12 crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Cu(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Cu(3)O6 octahedra,  an edgeedge with one Cu(4)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-17°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Cu(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Cu(3)O6 octahedra,  an edgeedge with one Cu(4)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-17°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-16°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Cu(1)O6 octahedra, and edges with three equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form distorted CuO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with three equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-17°. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), one O(4), and one O(6) atom. In the third Cu site, Cu(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form distorted CuO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with three equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-17°. In the fourth Cu site, Cu(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted CuO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Fe(1), and one Cu(4) atom. In the second O site, O(6) is bonded to one Li(1), one Li(2), one Fe(2), one Cu(1), one Cu(2), and one Cu(3) atom to form distorted OLi2FeCu3 octahedra that share  a cornercorner with one O(4)Li2FeCu3 octahedra,  a cornercorner with one O(6)Li2FeCu3 octahedra,  a cornercorner with one O(1)Li3FeCu2 octahedra,  a cornercorner with one O(3)Li3FeCu2 octahedra, corners with two equivalent O(2)Li2FeCu2 square pyramids,  an edgeedge with one O(6)Li2FeCu3 octahedra,  an edgeedge with one O(1)Li3FeCu2 octahedra,  an edgeedge with one O(3)Li3FeCu2 octahedra, edges with four equivalent O(4)Li2FeCu3 octahedra, and edges with three equivalent O(2)Li2FeCu2 square pyramids. The corner-sharing octahedral tilt angles range from 1-3°. In the third O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Fe(1), one Cu(2), and one Cu(4) atom to form distorted OLi3FeCu2 octahedra that share  a cornercorner with one O(4)Li2FeCu3 octahedra,  a cornercorner with one O(6)Li2FeCu3 octahedra,  a cornercorner with one O(1)Li3FeCu2 octahedra,  a cornercorner with one O(3)Li3FeCu2 octahedra, corners with two equivalent O(2)Li2FeCu2 square pyramids,  an edgeedge with one O(4)Li2FeCu3 octahedra,  an edgeedge with one O(6)Li2FeCu3 octahedra,  an edgeedge with one O(1)Li3FeCu2 octahedra, and edges with four equivalent O(3)Li3FeCu2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the fourth O site, O(2) is bonded to one Li(1), one Li(2), one Fe(2), one Cu(1), and one Cu(3) atom to form distorted OLi2FeCu2 square pyramids that share corners with two equivalent O(4)Li2FeCu3 octahedra, corners with two equivalent O(6)Li2FeCu3 octahedra, corners with two equivalent O(1)Li3FeCu2 octahedra, corners with two equivalent O(3)Li3FeCu2 octahedra,  a cornercorner with one O(2)Li2FeCu2 square pyramid, edges with three equivalent O(4)Li2FeCu3 octahedra, edges with three equivalent O(6)Li2FeCu3 octahedra, and  an edgeedge with one O(2)Li2FeCu2 square pyramid. The corner-sharing octahedral tilt angles range from 12-85°. In the fifth O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Fe(1), one Cu(2), and one Cu(4) atom to form OLi3FeCu2 octahedra that share  a cornercorner with one O(4)Li2FeCu3 octahedra,  a cornercorner with one O(6)Li2FeCu3 octahedra,  a cornercorner with one O(1)Li3FeCu2 octahedra,  a cornercorner with one O(3)Li3FeCu2 octahedra, corners with two equivalent O(2)Li2FeCu2 square pyramids,  an edgeedge with one O(4)Li2FeCu3 octahedra,  an edgeedge with one O(6)Li2FeCu3 octahedra,  an edgeedge with one O(3)Li3FeCu2 octahedra, and edges with four equivalent O(1)Li3FeCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the sixth O site, O(4) is bonded to one Li(1), one Li(2), one Fe(2), one Cu(1), one Cu(2), and one Cu(3) atom to form distorted OLi2FeCu3 octahedra that share  a cornercorner with one O(4)Li2FeCu3 octahedra,  a cornercorner with one O(6)Li2FeCu3 octahedra,  a cornercorner with one O(1)Li3FeCu2 octahedra,  a cornercorner with one O(3)Li3FeCu2 octahedra, corners with two equivalent O(2)Li2FeCu2 square pyramids,  an edgeedge with one O(4)Li2FeCu3 octahedra,  an edgeedge with one O(1)Li3FeCu2 octahedra,  an edgeedge with one O(3)Li3FeCu2 octahedra, edges with four equivalent O(6)Li2FeCu3 octahedra, and edges with three equivalent O(2)Li2FeCu2 square pyramids. The corner-sharing octahedral tilt angles range from 2-4°. is represented by the CIF file [CIF]
data_Li5Fe2Cu5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.062
_cell_length_b   5.062
_cell_length_c   9.713
_cell_angle_alpha   88.852
_cell_angle_beta   91.148
_cell_angle_gamma   65.851
_symmetry_Int_Tables_number   1
_cell_volume   226.958
_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  0.168  0.665  0.506  1.0
  Li  Li1  1  0.323  0.846  0.995  1.0
  Li  Li2  1  0.665  0.168  0.994  1.0
  Li  Li3  1  0.846  0.323  0.505  1.0
  Li  Li4  1  0.914  0.914  0.750  1.0
  Fe  Fe5  1  0.245  0.245  0.750  1.0
  Fe  Fe6  1  0.749  0.749  0.250  1.0
  Cu  Cu7  1  0.078  0.078  0.250  1.0
  Cu  Cu8  1  0.993  0.515  0.999  1.0
  Cu  Cu9  1  0.515  0.993  0.501  1.0
  Cu  Cu10  1  0.420  0.420  0.250  1.0
  Cu  Cu11  1  0.584  0.584  0.750  1.0
  O  O12  1  0.984  0.213  0.886  1.0
  O  O13  1  0.213  0.984  0.614  1.0
  O  O14  1  0.100  0.402  0.349  1.0
  O  O15  1  0.402  0.100  0.151  1.0
  O  O16  1  0.305  0.525  0.870  1.0
  O  O17  1  0.525  0.305  0.630  1.0
  O  O18  1  0.482  0.682  0.378  1.0
  O  O19  1  0.682  0.482  0.122  1.0
  O  O20  1  0.575  0.906  0.852  1.0
  O  O21  1  0.906  0.575  0.648  1.0
  O  O22  1  0.818  0.008  0.384  1.0
  O  O23  1  0.008  0.818  0.116  1.0
[/CIF]
.