The crystal structure described by Li4Ti2Cu3Sb3O16 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 Sb(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, and corners with four equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-63°. 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 trigonal pyramids that share  a cornercorner with one Sb(1)O6 octahedra, corners with two equivalent Ti(1)O5 square pyramids,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. 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 Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, and corners with three equivalent Ti(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 54-70°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(6) atoms to form distorted TiO5 square pyramids that share corners with two equivalent Cu(2)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(3)O4 trigonal pyramids, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom. 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 distorted CuO6 octahedra that share corners with two equivalent Ti(1)O5 square pyramids,  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 four equivalent Sb(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form SbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Ti(1)O5 square pyramid, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Sb site, Sb(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 SbO6 octahedra that share  a cornercorner with one Ti(1)O5 square pyramid,  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 Cu(2)O6 octahedra, edges with two equivalent Sb(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. 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 Cu(2), and one Sb(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 a mixture of distorted edge and corner-sharing OLiTiCu2 tetrahedra. In the third O site, O(3) is bonded to one Li(1), two equivalent Cu(1), and one Sb(1) atom to form OLiCu2Sb tetrahedra that share corners with two equivalent O(9)LiTiCuSb tetrahedra, corners with three equivalent O(4)LiCu2Sb tetrahedra, and  an edgeedge with one O(2)LiTiCu2 tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Cu(1), and one Sb(1) atom to form OLiCu2Sb tetrahedra that share corners with two equivalent O(2)LiTiCu2 tetrahedra and corners with three equivalent O(3)LiCu2Sb tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Cu(2), and two equivalent Sb(2) atoms to form distorted corner-sharing OLiCuSb2 tetrahedra. 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 Cu(1), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a distorted 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 3-coordinate geometry to one Li(3) and two equivalent Sb(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Ti(2), one Cu(2), and one Sb(2) atom to form distorted OLiTiCuSb tetrahedra that share  a cornercorner with one O(3)LiCu2Sb tetrahedra,  a cornercorner with one O(9)LiTiCuSb tetrahedra, corners with two equivalent O(5)LiCuSb2 tetrahedra, and  an edgeedge with one O(9)LiTiCuSb tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Cu(2), and two equivalent Sb(2) atoms. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Ti(2), one Cu(1), and one Sb(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(2), and two equivalent Sb(2) atoms. is represented by the CIF file [CIF]
data_Li4Ti2Cu3Sb3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.125
_cell_length_b   6.125
_cell_length_c   9.716
_cell_angle_alpha   86.551
_cell_angle_beta   86.551
_cell_angle_gamma   58.153
_symmetry_Int_Tables_number   1
_cell_volume   308.937
_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  0.680  0.680  0.909  1.0
  Li  Li1  1  0.003  0.003  0.002  1.0
  Li  Li2  1  0.026  0.026  0.474  1.0
  Li  Li3  1  0.329  0.329  0.400  1.0
  Ti  Ti4  1  0.635  0.635  0.465  1.0
  Ti  Ti5  1  0.316  0.316  0.004  1.0
  Cu  Cu6  1  0.815  0.331  0.205  1.0
  Cu  Cu7  1  0.331  0.815  0.205  1.0
  Cu  Cu8  1  0.176  0.176  0.712  1.0
  Sb  Sb9  1  0.822  0.822  0.218  1.0
  Sb  Sb10  1  0.671  0.174  0.717  1.0
  Sb  Sb11  1  0.174  0.671  0.717  1.0
  O  O12  1  0.819  0.332  0.590  1.0
  O  O13  1  0.511  0.511  0.351  1.0
  O  O14  1  0.668  0.668  0.114  1.0
  O  O15  1  0.989  0.989  0.293  1.0
  O  O16  1  0.006  0.006  0.814  1.0
  O  O17  1  0.332  0.819  0.590  1.0
  O  O18  1  0.961  0.531  0.358  1.0
  O  O19  1  0.531  0.961  0.358  1.0
  O  O20  1  0.162  0.162  0.081  1.0
  O  O21  1  0.857  0.857  0.608  1.0
  O  O22  1  0.508  0.047  0.849  1.0
  O  O23  1  0.047  0.508  0.849  1.0
  O  O24  1  0.347  0.347  0.609  1.0
  O  O25  1  0.649  0.141  0.092  1.0
  O  O26  1  0.493  0.493  0.832  1.0
  O  O27  1  0.141  0.649  0.092  1.0
[/CIF]
.
The crystal structure described by Li4Ti2Cu3Sb3O16 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 Sb(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, and corners with four equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-63°. 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 trigonal pyramids that share  a cornercorner with one Sb(1)O6 octahedra, corners with two equivalent Ti(1)O5 square pyramids,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. 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 Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, and corners with three equivalent Ti(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 54-70°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(6) atoms to form distorted TiO5 square pyramids that share corners with two equivalent Cu(2)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(3)O4 trigonal pyramids, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom. 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 distorted CuO6 octahedra that share corners with two equivalent Ti(1)O5 square pyramids,  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 four equivalent Sb(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form SbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Ti(1)O5 square pyramid, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Sb site, Sb(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 SbO6 octahedra that share  a cornercorner with one Ti(1)O5 square pyramid,  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 Cu(2)O6 octahedra, edges with two equivalent Sb(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. 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 Cu(2), and one Sb(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 a mixture of distorted edge and corner-sharing OLiTiCu2 tetrahedra. In the third O site, O(3) is bonded to one Li(1), two equivalent Cu(1), and one Sb(1) atom to form OLiCu2Sb tetrahedra that share corners with two equivalent O(9)LiTiCuSb tetrahedra, corners with three equivalent O(4)LiCu2Sb tetrahedra, and  an edgeedge with one O(2)LiTiCu2 tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Cu(1), and one Sb(1) atom to form OLiCu2Sb tetrahedra that share corners with two equivalent O(2)LiTiCu2 tetrahedra and corners with three equivalent O(3)LiCu2Sb tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Cu(2), and two equivalent Sb(2) atoms to form distorted corner-sharing OLiCuSb2 tetrahedra. 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 Cu(1), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a distorted 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 3-coordinate geometry to one Li(3) and two equivalent Sb(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Ti(2), one Cu(2), and one Sb(2) atom to form distorted OLiTiCuSb tetrahedra that share  a cornercorner with one O(3)LiCu2Sb tetrahedra,  a cornercorner with one O(9)LiTiCuSb tetrahedra, corners with two equivalent O(5)LiCuSb2 tetrahedra, and  an edgeedge with one O(9)LiTiCuSb tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Cu(2), and two equivalent Sb(2) atoms. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Ti(2), one Cu(1), and one Sb(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(2), and two equivalent Sb(2) atoms. is represented by the CIF file [CIF]
data_Li4Ti2Cu3Sb3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.125
_cell_length_b   6.125
_cell_length_c   9.716
_cell_angle_alpha   86.551
_cell_angle_beta   86.551
_cell_angle_gamma   58.153
_symmetry_Int_Tables_number   1
_cell_volume   308.937
_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  0.680  0.680  0.909  1.0
  Li  Li1  1  0.003  0.003  0.002  1.0
  Li  Li2  1  0.026  0.026  0.474  1.0
  Li  Li3  1  0.329  0.329  0.400  1.0
  Ti  Ti4  1  0.635  0.635  0.465  1.0
  Ti  Ti5  1  0.316  0.316  0.004  1.0
  Cu  Cu6  1  0.815  0.331  0.205  1.0
  Cu  Cu7  1  0.331  0.815  0.205  1.0
  Cu  Cu8  1  0.176  0.176  0.712  1.0
  Sb  Sb9  1  0.822  0.822  0.218  1.0
  Sb  Sb10  1  0.671  0.174  0.717  1.0
  Sb  Sb11  1  0.174  0.671  0.717  1.0
  O  O12  1  0.819  0.332  0.590  1.0
  O  O13  1  0.511  0.511  0.351  1.0
  O  O14  1  0.668  0.668  0.114  1.0
  O  O15  1  0.989  0.989  0.293  1.0
  O  O16  1  0.006  0.006  0.814  1.0
  O  O17  1  0.332  0.819  0.590  1.0
  O  O18  1  0.961  0.531  0.358  1.0
  O  O19  1  0.531  0.961  0.358  1.0
  O  O20  1  0.162  0.162  0.081  1.0
  O  O21  1  0.857  0.857  0.608  1.0
  O  O22  1  0.508  0.047  0.849  1.0
  O  O23  1  0.047  0.508  0.849  1.0
  O  O24  1  0.347  0.347  0.609  1.0
  O  O25  1  0.649  0.141  0.092  1.0
  O  O26  1  0.493  0.493  0.832  1.0
  O  O27  1  0.141  0.649  0.092  1.0
[/CIF]
.