The structure described by Li4Ti3V2Cu3O16 is Hausmannite-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 Cu(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with four equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-65°. 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 trigonal pyramids that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-71°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent V(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-66°. 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 Ti(2)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-68°. There are two inequivalent Ti sites. In the first Ti site, Ti(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 TiO6 octahedra that share corners with two equivalent V(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 V(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 53-55°. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one V(2)O6 octahedra, edges with four equivalent Cu(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted VO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Cu(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the second V site, V(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted VO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form CuO6 octahedra that share corners with two equivalent V(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 V(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 43°. In the second Cu site, Cu(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 distorted CuO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Ti(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 50-52°. 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(2), one V(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), two equivalent Ti(1), and one V(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Ti(1), and one Cu(1) atom. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Ti(1), and one Cu(1) atom to form corner-sharing OLiTi2Cu tetrahedra. In the fifth O site, O(5) is bonded in a tetrahedral geometry to one Li(2), one Ti(2), and two equivalent Cu(2) atoms. In the sixth O site, O(6) is bonded to one Li(4), one Ti(1), one V(1), and one Cu(1) atom to form distorted OLiTiVCu tetrahedra that share  a cornercorner with one O(6)LiTiVCu tetrahedra, corners with two equivalent O(4)LiTi2Cu tetrahedra, and  an edgeedge with one O(6)LiTiVCu tetrahedra. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Ti(1), and one V(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(3), one V(1), and two equivalent Cu(2) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(2), one V(2), and one Cu(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(2), and two equivalent Cu(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one V(2), and one Cu(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one V(2), and two equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_Li4Ti3V2Cu3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.916
_cell_length_b   5.916
_cell_length_c   9.736
_cell_angle_alpha   89.114
_cell_angle_beta   89.114
_cell_angle_gamma   60.035
_symmetry_Int_Tables_number   1
_cell_volume   295.116
_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  0.673  0.673  0.094  1.0
  Li  Li1  1  0.993  0.993  0.016  1.0
  Li  Li2  1  0.997  0.997  0.506  1.0
  Li  Li3  1  0.335  0.335  0.594  1.0
  Ti  Ti4  1  0.345  0.846  0.778  1.0
  Ti  Ti5  1  0.846  0.345  0.778  1.0
  Ti  Ti6  1  0.182  0.182  0.263  1.0
  V  V7  1  0.662  0.662  0.501  1.0
  V  V8  1  0.362  0.362  0.014  1.0
  Cu  Cu9  1  0.829  0.829  0.791  1.0
  Cu  Cu10  1  0.173  0.662  0.297  1.0
  Cu  Cu11  1  0.662  0.173  0.297  1.0
  O  O12  1  0.350  0.827  0.413  1.0
  O  O13  1  0.517  0.517  0.666  1.0
  O  O14  1  0.662  0.662  0.891  1.0
  O  O15  1  0.995  0.995  0.697  1.0
  O  O16  1  0.000  0.000  0.210  1.0
  O  O17  1  0.827  0.350  0.413  1.0
  O  O18  1  0.496  0.963  0.652  1.0
  O  O19  1  0.963  0.496  0.652  1.0
  O  O20  1  0.160  0.160  0.895  1.0
  O  O21  1  0.817  0.817  0.430  1.0
  O  O22  1  0.037  0.471  0.150  1.0
  O  O23  1  0.471  0.037  0.150  1.0
  O  O24  1  0.329  0.329  0.388  1.0
  O  O25  1  0.182  0.651  0.912  1.0
  O  O26  1  0.484  0.484  0.133  1.0
  O  O27  1  0.651  0.182  0.912  1.0
[/CIF]
.
The structure described by Li4Ti3V2Cu3O16 is Hausmannite-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 Cu(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with four equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-65°. 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 trigonal pyramids that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-71°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent V(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-66°. 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 Ti(2)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-68°. There are two inequivalent Ti sites. In the first Ti site, Ti(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 TiO6 octahedra that share corners with two equivalent V(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 V(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 53-55°. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one V(2)O6 octahedra, edges with four equivalent Cu(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted VO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Cu(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the second V site, V(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted VO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form CuO6 octahedra that share corners with two equivalent V(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 V(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 43°. In the second Cu site, Cu(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 distorted CuO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Ti(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 50-52°. 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(2), one V(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), two equivalent Ti(1), and one V(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Ti(1), and one Cu(1) atom. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Ti(1), and one Cu(1) atom to form corner-sharing OLiTi2Cu tetrahedra. In the fifth O site, O(5) is bonded in a tetrahedral geometry to one Li(2), one Ti(2), and two equivalent Cu(2) atoms. In the sixth O site, O(6) is bonded to one Li(4), one Ti(1), one V(1), and one Cu(1) atom to form distorted OLiTiVCu tetrahedra that share  a cornercorner with one O(6)LiTiVCu tetrahedra, corners with two equivalent O(4)LiTi2Cu tetrahedra, and  an edgeedge with one O(6)LiTiVCu tetrahedra. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Ti(1), and one V(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(3), one V(1), and two equivalent Cu(2) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(2), one V(2), and one Cu(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(2), and two equivalent Cu(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one V(2), and one Cu(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one V(2), and two equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_Li4Ti3V2Cu3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.916
_cell_length_b   5.916
_cell_length_c   9.736
_cell_angle_alpha   89.114
_cell_angle_beta   89.114
_cell_angle_gamma   60.035
_symmetry_Int_Tables_number   1
_cell_volume   295.116
_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  0.673  0.673  0.094  1.0
  Li  Li1  1  0.993  0.993  0.016  1.0
  Li  Li2  1  0.997  0.997  0.506  1.0
  Li  Li3  1  0.335  0.335  0.594  1.0
  Ti  Ti4  1  0.345  0.846  0.778  1.0
  Ti  Ti5  1  0.846  0.345  0.778  1.0
  Ti  Ti6  1  0.182  0.182  0.263  1.0
  V  V7  1  0.662  0.662  0.501  1.0
  V  V8  1  0.362  0.362  0.014  1.0
  Cu  Cu9  1  0.829  0.829  0.791  1.0
  Cu  Cu10  1  0.173  0.662  0.297  1.0
  Cu  Cu11  1  0.662  0.173  0.297  1.0
  O  O12  1  0.350  0.827  0.413  1.0
  O  O13  1  0.517  0.517  0.666  1.0
  O  O14  1  0.662  0.662  0.891  1.0
  O  O15  1  0.995  0.995  0.697  1.0
  O  O16  1  0.000  0.000  0.210  1.0
  O  O17  1  0.827  0.350  0.413  1.0
  O  O18  1  0.496  0.963  0.652  1.0
  O  O19  1  0.963  0.496  0.652  1.0
  O  O20  1  0.160  0.160  0.895  1.0
  O  O21  1  0.817  0.817  0.430  1.0
  O  O22  1  0.037  0.471  0.150  1.0
  O  O23  1  0.471  0.037  0.150  1.0
  O  O24  1  0.329  0.329  0.388  1.0
  O  O25  1  0.182  0.651  0.912  1.0
  O  O26  1  0.484  0.484  0.133  1.0
  O  O27  1  0.651  0.182  0.912  1.0
[/CIF]
.