The material described by Li4Ti2Fe3Cu3O16 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-61°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-66°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-66°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, and corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted TiO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the second Ti site, Ti(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with four equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form CuO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the second Cu site, Cu(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CuO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with four equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), one Fe(2), and one Cu(2) atom. In the second O site, O(2) is bonded to one Li(4), one Ti(1), and two equivalent Cu(1) atoms to form distorted corner-sharing OLiTiCu2 tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(1), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Fe(1), and two equivalent Cu(1) atoms to form corner-sharing OLiFeCu2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Fe(2), and one Cu(2) atom to form OLiFe2Cu tetrahedra that share corners with two equivalent O(12)LiTiFe2 tetrahedra and corners with four equivalent O(9)LiTiFeCu trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Ti(1), one Fe(1), and one Cu(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), and two equivalent Cu(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), and two equivalent Fe(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Ti(2), one Fe(2), and one Cu(2) atom to form distorted OLiTiFeCu trigonal pyramids that share  a cornercorner with one O(12)LiTiFe2 tetrahedra, corners with two equivalent O(5)LiFe2Cu tetrahedra,  a cornercorner with one O(9)LiTiFeCu trigonal pyramid,  an edgeedge with one O(12)LiTiFe2 tetrahedra, and  an edgeedge with one O(9)LiTiFeCu trigonal pyramid. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Fe(2), and one Cu(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Fe(1), and one Cu(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Ti(2), and two equivalent Fe(2) atoms to form distorted OLiTiFe2 tetrahedra that share corners with two equivalent O(5)LiFe2Cu tetrahedra, corners with two equivalent O(9)LiTiFeCu trigonal pyramids, and edges with two equivalent O(9)LiTiFeCu trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Ti2Fe3Cu3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.919
_cell_length_b   5.932
_cell_length_c   9.563
_cell_angle_alpha   90.006
_cell_angle_beta   89.541
_cell_angle_gamma   120.011
_symmetry_Int_Tables_number   1
_cell_volume   290.719
_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  0.326  0.663  0.898  1.0
  Li  Li1  1  0.001  0.000  0.996  1.0
  Li  Li2  1  0.008  0.004  0.491  1.0
  Li  Li3  1  0.667  0.333  0.395  1.0
  Ti  Ti4  1  0.341  0.670  0.498  1.0
  Ti  Ti5  1  0.674  0.337  0.996  1.0
  Fe  Fe6  1  0.659  0.830  0.217  1.0
  Fe  Fe7  1  0.831  0.659  0.716  1.0
  Fe  Fe8  1  0.831  0.172  0.716  1.0
  Cu  Cu9  1  0.176  0.833  0.214  1.0
  Cu  Cu10  1  0.176  0.343  0.215  1.0
  Cu  Cu11  1  0.341  0.170  0.713  1.0
  O  O12  1  0.162  0.829  0.592  1.0
  O  O13  1  0.046  0.523  0.342  1.0
  O  O14  1  0.324  0.662  0.110  1.0
  O  O15  1  0.013  0.006  0.301  1.0
  O  O16  1  0.015  0.007  0.805  1.0
  O  O17  1  0.163  0.334  0.592  1.0
  O  O18  1  0.484  0.964  0.346  1.0
  O  O19  1  0.484  0.521  0.346  1.0
  O  O20  1  0.328  0.164  0.093  1.0
  O  O21  1  0.663  0.832  0.593  1.0
  O  O22  1  0.517  0.480  0.843  1.0
  O  O23  1  0.517  0.037  0.843  1.0
  O  O24  1  0.655  0.328  0.607  1.0
  O  O25  1  0.819  0.660  0.092  1.0
  O  O26  1  0.961  0.481  0.844  1.0
  O  O27  1  0.819  0.159  0.092  1.0
[/CIF]
.
The material described by Li4Ti2Fe3Cu3O16 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-61°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-66°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-66°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, and corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted TiO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the second Ti site, Ti(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with four equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form CuO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the second Cu site, Cu(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CuO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with four equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), one Fe(2), and one Cu(2) atom. In the second O site, O(2) is bonded to one Li(4), one Ti(1), and two equivalent Cu(1) atoms to form distorted corner-sharing OLiTiCu2 tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(1), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Fe(1), and two equivalent Cu(1) atoms to form corner-sharing OLiFeCu2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Fe(2), and one Cu(2) atom to form OLiFe2Cu tetrahedra that share corners with two equivalent O(12)LiTiFe2 tetrahedra and corners with four equivalent O(9)LiTiFeCu trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Ti(1), one Fe(1), and one Cu(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), and two equivalent Cu(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), and two equivalent Fe(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Ti(2), one Fe(2), and one Cu(2) atom to form distorted OLiTiFeCu trigonal pyramids that share  a cornercorner with one O(12)LiTiFe2 tetrahedra, corners with two equivalent O(5)LiFe2Cu tetrahedra,  a cornercorner with one O(9)LiTiFeCu trigonal pyramid,  an edgeedge with one O(12)LiTiFe2 tetrahedra, and  an edgeedge with one O(9)LiTiFeCu trigonal pyramid. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Fe(2), and one Cu(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Fe(1), and one Cu(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Ti(2), and two equivalent Fe(2) atoms to form distorted OLiTiFe2 tetrahedra that share corners with two equivalent O(5)LiFe2Cu tetrahedra, corners with two equivalent O(9)LiTiFeCu trigonal pyramids, and edges with two equivalent O(9)LiTiFeCu trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Ti2Fe3Cu3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.919
_cell_length_b   5.932
_cell_length_c   9.563
_cell_angle_alpha   90.006
_cell_angle_beta   89.541
_cell_angle_gamma   120.011
_symmetry_Int_Tables_number   1
_cell_volume   290.719
_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  0.326  0.663  0.898  1.0
  Li  Li1  1  0.001  0.000  0.996  1.0
  Li  Li2  1  0.008  0.004  0.491  1.0
  Li  Li3  1  0.667  0.333  0.395  1.0
  Ti  Ti4  1  0.341  0.670  0.498  1.0
  Ti  Ti5  1  0.674  0.337  0.996  1.0
  Fe  Fe6  1  0.659  0.830  0.217  1.0
  Fe  Fe7  1  0.831  0.659  0.716  1.0
  Fe  Fe8  1  0.831  0.172  0.716  1.0
  Cu  Cu9  1  0.176  0.833  0.214  1.0
  Cu  Cu10  1  0.176  0.343  0.215  1.0
  Cu  Cu11  1  0.341  0.170  0.713  1.0
  O  O12  1  0.162  0.829  0.592  1.0
  O  O13  1  0.046  0.523  0.342  1.0
  O  O14  1  0.324  0.662  0.110  1.0
  O  O15  1  0.013  0.006  0.301  1.0
  O  O16  1  0.015  0.007  0.805  1.0
  O  O17  1  0.163  0.334  0.592  1.0
  O  O18  1  0.484  0.964  0.346  1.0
  O  O19  1  0.484  0.521  0.346  1.0
  O  O20  1  0.328  0.164  0.093  1.0
  O  O21  1  0.663  0.832  0.593  1.0
  O  O22  1  0.517  0.480  0.843  1.0
  O  O23  1  0.517  0.037  0.843  1.0
  O  O24  1  0.655  0.328  0.607  1.0
  O  O25  1  0.819  0.660  0.092  1.0
  O  O26  1  0.961  0.481  0.844  1.0
  O  O27  1  0.819  0.159  0.092  1.0
[/CIF]
.