The material structure described by Li4Ti2V3Cu3O16 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, and corners with two equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-71°. In the second Li site, Li(2) is bonded to one O(14), one O(16), one O(5), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, and  an edgeedge with one Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-66°. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, and corners with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-66°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form distorted TiO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, and  an edgeedge with one Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form VO6 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, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the second V site, V(2) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the third V site, V(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form VO6 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, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form distorted CuO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Cu site, Cu(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form distorted CuO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the third Cu site, Cu(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form distorted 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, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. There are sixteen 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 V(1), and one Cu(3) atom. In the second O site, O(2) is bonded to one Li(4), one Ti(1), one Cu(1), and one Cu(2) atom to form a mixture of edge and corner-sharing OLiTiCu2 tetrahedra. In the third O site, O(3) is bonded to one Li(1), one V(2), one Cu(1), and one Cu(2) atom to form OLiVCu2 tetrahedra that share  a cornercorner with one O(11)LiTiVCu tetrahedra,  a cornercorner with one O(12)LiTiVCu tetrahedra, corners with three equivalent O(4)LiVCu2 tetrahedra, and  an edgeedge with one O(2)LiTiCu2 tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), one V(2), one Cu(1), and one Cu(2) atom to form OLiVCu2 tetrahedra that share corners with two equivalent O(2)LiTiCu2 tetrahedra and corners with three equivalent O(3)LiVCu2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one V(1), one V(3), and one Cu(3) atom to form corner-sharing OLiV2Cu tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), one V(3), and one Cu(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(4), one Ti(1), one V(2), and one Cu(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(4), one Ti(1), one V(2), and one Cu(2) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Cu(1), and one Cu(2) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ti(1), one V(1), and one V(3) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Ti(2), one V(1), and one Cu(3) atom to form distorted OLiTiVCu tetrahedra that share  a cornercorner with one O(12)LiTiVCu tetrahedra,  a cornercorner with one O(3)LiVCu2 tetrahedra, corners with two equivalent O(5)LiV2Cu tetrahedra, and  an edgeedge with one O(12)LiTiVCu tetrahedra. In the twelfth O site, O(12) is bonded to one Li(1), one Ti(2), one V(3), and one Cu(3) atom to form distorted OLiTiVCu tetrahedra that share  a cornercorner with one O(11)LiTiVCu tetrahedra,  a cornercorner with one O(3)LiVCu2 tetrahedra, corners with two equivalent O(5)LiV2Cu tetrahedra, and  an edgeedge with one O(11)LiTiVCu tetrahedra. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(1), one V(3), and one Cu(3) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(2), one Ti(2), one V(2), and one Cu(1) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(2), one V(1), and one V(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(2), one Ti(2), one V(2), and one Cu(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Ti2V3Cu3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.998
_cell_length_b   5.823
_cell_length_c   9.686
_cell_angle_alpha   90.059
_cell_angle_beta   86.637
_cell_angle_gamma   119.039
_symmetry_Int_Tables_number   1
_cell_volume   295.089
_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  0.323  0.652  0.910  1.0
  Li  Li1  1  0.992  0.997  0.997  1.0
  Li  Li2  1  0.006  0.005  0.485  1.0
  Li  Li3  1  0.698  0.352  0.402  1.0
  Ti  Ti4  1  0.293  0.645  0.486  1.0
  Ti  Ti5  1  0.664  0.334  0.005  1.0
  V  V6  1  0.817  0.657  0.719  1.0
  V  V7  1  0.651  0.830  0.235  1.0
  V  V8  1  0.804  0.153  0.723  1.0
  Cu  Cu9  1  0.172  0.834  0.204  1.0
  Cu  Cu10  1  0.173  0.339  0.205  1.0
  Cu  Cu11  1  0.333  0.171  0.704  1.0
  O  O12  1  0.143  0.814  0.591  1.0
  O  O13  1  0.063  0.532  0.346  1.0
  O  O14  1  0.364  0.682  0.116  1.0
  O  O15  1  0.986  0.993  0.293  1.0
  O  O16  1  0.994  0.008  0.804  1.0
  O  O17  1  0.152  0.334  0.588  1.0
  O  O18  1  0.529  0.983  0.352  1.0
  O  O19  1  0.528  0.551  0.352  1.0
  O  O20  1  0.323  0.162  0.081  1.0
  O  O21  1  0.685  0.853  0.609  1.0
  O  O22  1  0.542  0.502  0.839  1.0
  O  O23  1  0.533  0.027  0.839  1.0
  O  O24  1  0.686  0.330  0.608  1.0
  O  O25  1  0.795  0.648  0.091  1.0
  O  O26  1  0.960  0.466  0.833  1.0
  O  O27  1  0.793  0.145  0.092  1.0
[/CIF]
.
The material structure described by Li4Ti2V3Cu3O16 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, and corners with two equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-71°. In the second Li site, Li(2) is bonded to one O(14), one O(16), one O(5), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, and  an edgeedge with one Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-66°. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, and corners with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-66°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form distorted TiO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, and  an edgeedge with one Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form VO6 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, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the second V site, V(2) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the third V site, V(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form VO6 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, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form distorted CuO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Cu site, Cu(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form distorted CuO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the third Cu site, Cu(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form distorted 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, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. There are sixteen 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 V(1), and one Cu(3) atom. In the second O site, O(2) is bonded to one Li(4), one Ti(1), one Cu(1), and one Cu(2) atom to form a mixture of edge and corner-sharing OLiTiCu2 tetrahedra. In the third O site, O(3) is bonded to one Li(1), one V(2), one Cu(1), and one Cu(2) atom to form OLiVCu2 tetrahedra that share  a cornercorner with one O(11)LiTiVCu tetrahedra,  a cornercorner with one O(12)LiTiVCu tetrahedra, corners with three equivalent O(4)LiVCu2 tetrahedra, and  an edgeedge with one O(2)LiTiCu2 tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), one V(2), one Cu(1), and one Cu(2) atom to form OLiVCu2 tetrahedra that share corners with two equivalent O(2)LiTiCu2 tetrahedra and corners with three equivalent O(3)LiVCu2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one V(1), one V(3), and one Cu(3) atom to form corner-sharing OLiV2Cu tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), one V(3), and one Cu(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(4), one Ti(1), one V(2), and one Cu(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(4), one Ti(1), one V(2), and one Cu(2) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Cu(1), and one Cu(2) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ti(1), one V(1), and one V(3) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Ti(2), one V(1), and one Cu(3) atom to form distorted OLiTiVCu tetrahedra that share  a cornercorner with one O(12)LiTiVCu tetrahedra,  a cornercorner with one O(3)LiVCu2 tetrahedra, corners with two equivalent O(5)LiV2Cu tetrahedra, and  an edgeedge with one O(12)LiTiVCu tetrahedra. In the twelfth O site, O(12) is bonded to one Li(1), one Ti(2), one V(3), and one Cu(3) atom to form distorted OLiTiVCu tetrahedra that share  a cornercorner with one O(11)LiTiVCu tetrahedra,  a cornercorner with one O(3)LiVCu2 tetrahedra, corners with two equivalent O(5)LiV2Cu tetrahedra, and  an edgeedge with one O(11)LiTiVCu tetrahedra. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(1), one V(3), and one Cu(3) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(2), one Ti(2), one V(2), and one Cu(1) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(2), one V(1), and one V(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(2), one Ti(2), one V(2), and one Cu(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Ti2V3Cu3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.998
_cell_length_b   5.823
_cell_length_c   9.686
_cell_angle_alpha   90.059
_cell_angle_beta   86.637
_cell_angle_gamma   119.039
_symmetry_Int_Tables_number   1
_cell_volume   295.089
_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  0.323  0.652  0.910  1.0
  Li  Li1  1  0.992  0.997  0.997  1.0
  Li  Li2  1  0.006  0.005  0.485  1.0
  Li  Li3  1  0.698  0.352  0.402  1.0
  Ti  Ti4  1  0.293  0.645  0.486  1.0
  Ti  Ti5  1  0.664  0.334  0.005  1.0
  V  V6  1  0.817  0.657  0.719  1.0
  V  V7  1  0.651  0.830  0.235  1.0
  V  V8  1  0.804  0.153  0.723  1.0
  Cu  Cu9  1  0.172  0.834  0.204  1.0
  Cu  Cu10  1  0.173  0.339  0.205  1.0
  Cu  Cu11  1  0.333  0.171  0.704  1.0
  O  O12  1  0.143  0.814  0.591  1.0
  O  O13  1  0.063  0.532  0.346  1.0
  O  O14  1  0.364  0.682  0.116  1.0
  O  O15  1  0.986  0.993  0.293  1.0
  O  O16  1  0.994  0.008  0.804  1.0
  O  O17  1  0.152  0.334  0.588  1.0
  O  O18  1  0.529  0.983  0.352  1.0
  O  O19  1  0.528  0.551  0.352  1.0
  O  O20  1  0.323  0.162  0.081  1.0
  O  O21  1  0.685  0.853  0.609  1.0
  O  O22  1  0.542  0.502  0.839  1.0
  O  O23  1  0.533  0.027  0.839  1.0
  O  O24  1  0.686  0.330  0.608  1.0
  O  O25  1  0.795  0.648  0.091  1.0
  O  O26  1  0.960  0.466  0.833  1.0
  O  O27  1  0.793  0.145  0.092  1.0
[/CIF]
.