The crystal structure described by Li4Ti2Co3Sb3O16 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(15), one O(25), one O(28), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra,  a cornercorner with one Sb(4)O6 octahedra,  a cornercorner with one Sb(6)O6 octahedra, and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-65°. In the second Li site, Li(2) is bonded to one O(16), one O(26), one O(27), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra,  a cornercorner with one Sb(3)O6 octahedra,  a cornercorner with one Sb(5)O6 octahedra, and corners with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-65°. In the third Li site, Li(3) is bonded to one O(30), one O(31), one O(8), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Sb(4)O6 octahedra, and  an edgeedge with one Sb(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-70°. In the fourth Li site, Li(4) is bonded to one O(10), one O(29), one O(32), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Sb(3)O6 octahedra, and  an edgeedge with one Sb(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-70°. In the fifth Li site, Li(5) is bonded to one O(11), one O(17), one O(20), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Sb(3)O6 octahedra,  a cornercorner with one Sb(6)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and  an edgeedge with one Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-62°. In the sixth Li site, Li(6) is bonded to one O(12), one O(18), one O(19), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Sb(4)O6 octahedra,  a cornercorner with one Sb(5)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-62°. In the seventh Li site, Li(7) is bonded to one O(1), one O(13), one O(22), and one O(23) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Sb(3)O6 octahedra,  a cornercorner with one Sb(4)O6 octahedra, and corners with two equivalent Sb(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-63°. In the eighth Li site, Li(8) is bonded to one O(14), one O(2), one O(21), and one O(24) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra,  a cornercorner with one Sb(3)O6 octahedra,  a cornercorner with one Sb(4)O6 octahedra, and corners with two equivalent Sb(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-63°. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(17), one O(19), one O(21), and one O(23) atom. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(12), one O(18), one O(2), one O(20), one O(22), and one O(24) atom. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(25), one O(27), one O(30), and one O(32) atom. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to one O(16), one O(26), one O(28), one O(29), one O(31), and one O(9) atom. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(21), one O(23), one O(29), one O(3), one O(32), and one O(5) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Sb(5)O6 octahedra,  an edgeedge with one Sb(6)O6 octahedra, edges with two equivalent Sb(3)O6 octahedra, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the second Co site, Co(2) is bonded to one O(11), one O(13), one O(15), one O(17), one O(25), and one O(8) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(12), one O(13), one O(15), one O(19), one O(27), and one O(7) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(22), one O(24), one O(30), one O(31), one O(4), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Sb(5)O6 octahedra,  an edgeedge with one Sb(6)O6 octahedra, edges with two equivalent Sb(4)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the fifth Co site, Co(5) is bonded to one O(12), one O(14), one O(16), one O(18), one O(26), and one O(7) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the sixth Co site, Co(6) is bonded to one O(11), one O(14), one O(16), one O(20), one O(28), and one O(8) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Sb(2)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. There are six inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(13), one O(18), one O(19), one O(25), one O(27), and one O(7) atom to form SbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the second Sb site, Sb(2) is bonded to one O(14), one O(17), one O(20), one O(26), one O(28), and one O(8) atom to form SbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Co(6)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the third Sb site, Sb(3) is bonded to one O(1), one O(10), one O(21), one O(29), one O(3), and one O(5) atom to form SbO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Sb(5)O6 octahedra,  an edgeedge with one Sb(6)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the fourth Sb site, Sb(4) is bonded to one O(2), one O(22), one O(30), one O(4), one O(6), and one O(9) atom to form SbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Sb(5)O6 octahedra,  an edgeedge with one Sb(6)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the fifth Sb site, Sb(5) is bonded to one O(1), one O(23), one O(3), one O(31), one O(6), and one O(9) atom to form SbO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Sb(3)O6 octahedra,  an edgeedge with one Sb(4)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the sixth Sb site, Sb(6) is bonded to one O(10), one O(2), one O(24), one O(32), one O(4), and one O(5) atom to form SbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Sb(3)O6 octahedra,  an edgeedge with one Sb(4)O6 octahedra, and  an edgeedge with one Li(4)O4 trigonal pyramid. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(7), one Ti(1), one Sb(3), and one Sb(5) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(8), one Ti(2), one Sb(4), and one Sb(6) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Sb(3), and one Sb(5) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(4), one Sb(4), and one Sb(6) atom. In the fifth O site, O(5) is bonded to one Li(5), one Co(1), one Sb(3), and one Sb(6) atom to form distorted corner-sharing OLiCoSb2 tetrahedra. In the sixth O site, O(6) is bonded to one Li(6), one Co(4), one Sb(4), and one Sb(5) atom to form distorted corner-sharing OLiCoSb2 tetrahedra. In the seventh O site, O(7) is bonded to one Li(4), one Co(3), one Co(5), and one Sb(1) atom to form corner-sharing OLiCo2Sb tetrahedra. In the eighth O site, O(8) is bonded to one Li(3), one Co(2), one Co(6), and one Sb(2) atom to form corner-sharing OLiCo2Sb tetrahedra. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ti(4), one Sb(4), and one Sb(5) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Ti(3), one Sb(3), and one Sb(6) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one Ti(1), one Co(2), and one Co(6) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(6), one Ti(2), one Co(3), and one Co(5) atom. In the thirteenth O site, O(13) is bonded to one Li(7), one Co(2), one Co(3), and one Sb(1) atom to form distorted OLiCo2Sb trigonal pyramids that share  a cornercorner with one O(8)LiCo2Sb tetrahedra,  a cornercorner with one O(22)LiTiCoSb tetrahedra,  a cornercorner with one O(23)LiTiCoSb tetrahedra, and corners with two equivalent O(7)LiCo2Sb tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(8), one Co(5), one Co(6), and one Sb(2) atom to form distorted OLiCo2Sb trigonal pyramids that share  a cornercorner with one O(7)LiCo2Sb tetrahedra,  a cornercorner with one O(21)LiTiCoSb tetrahedra,  a cornercorner with one O(24)LiTiCoSb tetrahedra, and corners with two equivalent O(8)LiCo2Sb tetrahedra. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(3), one Co(2), and one Co(3) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Ti(4), one Co(5), and one Co(6) atom. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Li(5), one Ti(1), one Co(2), and one Sb(2) atom. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Li(6), one Ti(2), one Co(5), and one Sb(1) atom. In the nineteenth O site, O(19) is bonded in a rectangular see-saw-like geometry to one Li(6), one Ti(1), one Co(3), and one Sb(1) atom. In the twentieth O site, O(20) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one Ti(2), one Co(6), and one Sb(2) atom. In the twenty-first O site, O(21) is bonded to one Li(8), one Ti(1), one Co(1), and one Sb(3) atom to form OLiTiCoSb tetrahedra that share  a cornercorner with one O(24)LiTiCoSb tetrahedra, corners with two equivalent O(5)LiCoSb2 tetrahedra,  a cornercorner with one O(14)LiCo2Sb trigonal pyramid, and  an edgeedge with one O(23)LiTiCoSb tetrahedra. In the twenty-second O site, O(22) is bonded to one Li(7), one Ti(2), one Co(4), and one Sb(4) atom to form OLiTiCoSb tetrahedra that share  a cornercorner with one O(23)LiTiCoSb tetrahedra, corners with two equivalent O(6)LiCoSb2 tetrahedra,  a cornercorner with one O(13)LiCo2Sb trigonal pyramid, and  an edgeedge with one O(24)LiTiCoSb tetrahedra. In the twenty-third O site, O(23) is bonded to one Li(7), one Ti(1), one Co(1), and one Sb(5) atom to form OLiTiCoSb tetrahedra that share  a cornercorner with one O(5)LiCoSb2 tetrahedra,  a cornercorner with one O(6)LiCoSb2 tetrahedra,  a cornercorner with one O(22)LiTiCoSb tetrahedra,  a cornercorner with one O(13)LiCo2Sb trigonal pyramid, and  an edgeedge with one O(21)LiTiCoSb tetrahedra. In the twenty-fourth O site, O(24) is bonded to one Li(8), one Ti(2), one Co(4), and one Sb(6) atom to form OLiTiCoSb tetrahedra that share  a cornercorner with one O(5)LiCoSb2 tetrahedra,  a cornercorner with one O(6)LiCoSb2 tetrahedra,  a cornercorner with one O(21)LiTiCoSb tetrahedra,  a cornercorner with one O(14)LiCo2Sb trigonal pyramid, and  an edgeedge with one O(22)LiTiCoSb tetrahedra. In the twenty-fifth O site, O(25) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(3), one Co(2), and one Sb(1) atom. In the twenty-sixth O site, O(26) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(4), one Co(5), and one Sb(2) atom. In the twenty-seventh O site, O(27) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(3), one Co(3), and one Sb(1) atom. In the twenty-eighth O site, O(28) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(4), one Co(6), and one Sb(2) atom. In the twenty-ninth O site, O(29) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(4), one Co(1), and one Sb(3) atom. In the thirtieth O site, O(30) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(3), one Co(4), and one Sb(4) atom. In the thirty-first O site, O(31) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(4), one Co(4), and one Sb(5) atom. In the thirty-second O site, O(32) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(3), one Co(1), and one Sb(6) atom. is represented by the CIF card [CIF]
data_Li4Ti2Co3Sb3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.132
_cell_length_b   6.161
_cell_length_c   9.740
_cell_angle_alpha   90.830
_cell_angle_beta   90.003
_cell_angle_gamma   60.157
_symmetry_Int_Tables_number   1
_cell_volume   319.123
_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
  Co  Co0  1  0.826  0.349  0.786  1.0
  Co  Co1  1  0.180  0.156  0.288  1.0
  Co  Co2  1  0.664  0.155  0.288  1.0
  Li  Li3  1  0.673  0.653  0.108  1.0
  Li  Li4  1  0.983  0.034  0.016  1.0
  Li  Li5  1  0.995  0.011  0.495  1.0
  Li  Li6  1  0.324  0.353  0.598  1.0
  O  O7  1  0.508  0.984  0.662  1.0
  O  O8  1  0.657  0.685  0.898  1.0
  O  O9  1  0.996  0.007  0.683  1.0
  O  O10  1  0.009  0.983  0.200  1.0
  O  O11  1  0.151  0.698  0.897  1.0
  O  O12  1  0.829  0.341  0.414  1.0
  O  O13  1  0.333  0.334  0.394  1.0
  O  O14  1  0.488  0.025  0.147  1.0
  O  O15  1  0.344  0.807  0.407  1.0
  O  O16  1  0.849  0.807  0.406  1.0
  O  O17  1  0.510  0.540  0.656  1.0
  O  O18  1  0.950  0.540  0.656  1.0
  O  O19  1  0.046  0.480  0.152  1.0
  O  O20  1  0.475  0.480  0.152  1.0
  O  O21  1  0.170  0.164  0.906  1.0
  O  O22  1  0.666  0.164  0.906  1.0
  Sb  Sb23  1  0.177  0.646  0.284  1.0
  Sb  Sb24  1  0.333  0.842  0.784  1.0
  Sb  Sb25  1  0.826  0.842  0.784  1.0
  Ti  Ti26  1  0.680  0.640  0.497  1.0
  Ti  Ti27  1  0.360  0.280  0.028  1.0
[/CIF]
.
The crystal structure described by Li4Ti2Co3Sb3O16 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(15), one O(25), one O(28), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra,  a cornercorner with one Sb(4)O6 octahedra,  a cornercorner with one Sb(6)O6 octahedra, and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-65°. In the second Li site, Li(2) is bonded to one O(16), one O(26), one O(27), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra,  a cornercorner with one Sb(3)O6 octahedra,  a cornercorner with one Sb(5)O6 octahedra, and corners with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-65°. In the third Li site, Li(3) is bonded to one O(30), one O(31), one O(8), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Sb(4)O6 octahedra, and  an edgeedge with one Sb(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-70°. In the fourth Li site, Li(4) is bonded to one O(10), one O(29), one O(32), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Sb(3)O6 octahedra, and  an edgeedge with one Sb(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-70°. In the fifth Li site, Li(5) is bonded to one O(11), one O(17), one O(20), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Sb(3)O6 octahedra,  a cornercorner with one Sb(6)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and  an edgeedge with one Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-62°. In the sixth Li site, Li(6) is bonded to one O(12), one O(18), one O(19), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Sb(4)O6 octahedra,  a cornercorner with one Sb(5)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-62°. In the seventh Li site, Li(7) is bonded to one O(1), one O(13), one O(22), and one O(23) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Sb(3)O6 octahedra,  a cornercorner with one Sb(4)O6 octahedra, and corners with two equivalent Sb(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-63°. In the eighth Li site, Li(8) is bonded to one O(14), one O(2), one O(21), and one O(24) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra,  a cornercorner with one Sb(3)O6 octahedra,  a cornercorner with one Sb(4)O6 octahedra, and corners with two equivalent Sb(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-63°. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(17), one O(19), one O(21), and one O(23) atom. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(12), one O(18), one O(2), one O(20), one O(22), and one O(24) atom. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(25), one O(27), one O(30), and one O(32) atom. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to one O(16), one O(26), one O(28), one O(29), one O(31), and one O(9) atom. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(21), one O(23), one O(29), one O(3), one O(32), and one O(5) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Sb(5)O6 octahedra,  an edgeedge with one Sb(6)O6 octahedra, edges with two equivalent Sb(3)O6 octahedra, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the second Co site, Co(2) is bonded to one O(11), one O(13), one O(15), one O(17), one O(25), and one O(8) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(12), one O(13), one O(15), one O(19), one O(27), and one O(7) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(22), one O(24), one O(30), one O(31), one O(4), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Sb(5)O6 octahedra,  an edgeedge with one Sb(6)O6 octahedra, edges with two equivalent Sb(4)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the fifth Co site, Co(5) is bonded to one O(12), one O(14), one O(16), one O(18), one O(26), and one O(7) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the sixth Co site, Co(6) is bonded to one O(11), one O(14), one O(16), one O(20), one O(28), and one O(8) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Sb(2)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. There are six inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(13), one O(18), one O(19), one O(25), one O(27), and one O(7) atom to form SbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the second Sb site, Sb(2) is bonded to one O(14), one O(17), one O(20), one O(26), one O(28), and one O(8) atom to form SbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Co(6)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the third Sb site, Sb(3) is bonded to one O(1), one O(10), one O(21), one O(29), one O(3), and one O(5) atom to form SbO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Sb(5)O6 octahedra,  an edgeedge with one Sb(6)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the fourth Sb site, Sb(4) is bonded to one O(2), one O(22), one O(30), one O(4), one O(6), and one O(9) atom to form SbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Sb(5)O6 octahedra,  an edgeedge with one Sb(6)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the fifth Sb site, Sb(5) is bonded to one O(1), one O(23), one O(3), one O(31), one O(6), and one O(9) atom to form SbO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Sb(3)O6 octahedra,  an edgeedge with one Sb(4)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the sixth Sb site, Sb(6) is bonded to one O(10), one O(2), one O(24), one O(32), one O(4), and one O(5) atom to form SbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Sb(3)O6 octahedra,  an edgeedge with one Sb(4)O6 octahedra, and  an edgeedge with one Li(4)O4 trigonal pyramid. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(7), one Ti(1), one Sb(3), and one Sb(5) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(8), one Ti(2), one Sb(4), and one Sb(6) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Sb(3), and one Sb(5) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(4), one Sb(4), and one Sb(6) atom. In the fifth O site, O(5) is bonded to one Li(5), one Co(1), one Sb(3), and one Sb(6) atom to form distorted corner-sharing OLiCoSb2 tetrahedra. In the sixth O site, O(6) is bonded to one Li(6), one Co(4), one Sb(4), and one Sb(5) atom to form distorted corner-sharing OLiCoSb2 tetrahedra. In the seventh O site, O(7) is bonded to one Li(4), one Co(3), one Co(5), and one Sb(1) atom to form corner-sharing OLiCo2Sb tetrahedra. In the eighth O site, O(8) is bonded to one Li(3), one Co(2), one Co(6), and one Sb(2) atom to form corner-sharing OLiCo2Sb tetrahedra. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ti(4), one Sb(4), and one Sb(5) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Ti(3), one Sb(3), and one Sb(6) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one Ti(1), one Co(2), and one Co(6) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(6), one Ti(2), one Co(3), and one Co(5) atom. In the thirteenth O site, O(13) is bonded to one Li(7), one Co(2), one Co(3), and one Sb(1) atom to form distorted OLiCo2Sb trigonal pyramids that share  a cornercorner with one O(8)LiCo2Sb tetrahedra,  a cornercorner with one O(22)LiTiCoSb tetrahedra,  a cornercorner with one O(23)LiTiCoSb tetrahedra, and corners with two equivalent O(7)LiCo2Sb tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(8), one Co(5), one Co(6), and one Sb(2) atom to form distorted OLiCo2Sb trigonal pyramids that share  a cornercorner with one O(7)LiCo2Sb tetrahedra,  a cornercorner with one O(21)LiTiCoSb tetrahedra,  a cornercorner with one O(24)LiTiCoSb tetrahedra, and corners with two equivalent O(8)LiCo2Sb tetrahedra. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(3), one Co(2), and one Co(3) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Ti(4), one Co(5), and one Co(6) atom. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Li(5), one Ti(1), one Co(2), and one Sb(2) atom. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Li(6), one Ti(2), one Co(5), and one Sb(1) atom. In the nineteenth O site, O(19) is bonded in a rectangular see-saw-like geometry to one Li(6), one Ti(1), one Co(3), and one Sb(1) atom. In the twentieth O site, O(20) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one Ti(2), one Co(6), and one Sb(2) atom. In the twenty-first O site, O(21) is bonded to one Li(8), one Ti(1), one Co(1), and one Sb(3) atom to form OLiTiCoSb tetrahedra that share  a cornercorner with one O(24)LiTiCoSb tetrahedra, corners with two equivalent O(5)LiCoSb2 tetrahedra,  a cornercorner with one O(14)LiCo2Sb trigonal pyramid, and  an edgeedge with one O(23)LiTiCoSb tetrahedra. In the twenty-second O site, O(22) is bonded to one Li(7), one Ti(2), one Co(4), and one Sb(4) atom to form OLiTiCoSb tetrahedra that share  a cornercorner with one O(23)LiTiCoSb tetrahedra, corners with two equivalent O(6)LiCoSb2 tetrahedra,  a cornercorner with one O(13)LiCo2Sb trigonal pyramid, and  an edgeedge with one O(24)LiTiCoSb tetrahedra. In the twenty-third O site, O(23) is bonded to one Li(7), one Ti(1), one Co(1), and one Sb(5) atom to form OLiTiCoSb tetrahedra that share  a cornercorner with one O(5)LiCoSb2 tetrahedra,  a cornercorner with one O(6)LiCoSb2 tetrahedra,  a cornercorner with one O(22)LiTiCoSb tetrahedra,  a cornercorner with one O(13)LiCo2Sb trigonal pyramid, and  an edgeedge with one O(21)LiTiCoSb tetrahedra. In the twenty-fourth O site, O(24) is bonded to one Li(8), one Ti(2), one Co(4), and one Sb(6) atom to form OLiTiCoSb tetrahedra that share  a cornercorner with one O(5)LiCoSb2 tetrahedra,  a cornercorner with one O(6)LiCoSb2 tetrahedra,  a cornercorner with one O(21)LiTiCoSb tetrahedra,  a cornercorner with one O(14)LiCo2Sb trigonal pyramid, and  an edgeedge with one O(22)LiTiCoSb tetrahedra. In the twenty-fifth O site, O(25) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(3), one Co(2), and one Sb(1) atom. In the twenty-sixth O site, O(26) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(4), one Co(5), and one Sb(2) atom. In the twenty-seventh O site, O(27) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(3), one Co(3), and one Sb(1) atom. In the twenty-eighth O site, O(28) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(4), one Co(6), and one Sb(2) atom. In the twenty-ninth O site, O(29) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(4), one Co(1), and one Sb(3) atom. In the thirtieth O site, O(30) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(3), one Co(4), and one Sb(4) atom. In the thirty-first O site, O(31) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(4), one Co(4), and one Sb(5) atom. In the thirty-second O site, O(32) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(3), one Co(1), and one Sb(6) atom. is represented by the CIF card [CIF]
data_Li4Ti2Co3Sb3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.132
_cell_length_b   6.161
_cell_length_c   9.740
_cell_angle_alpha   90.830
_cell_angle_beta   90.003
_cell_angle_gamma   60.157
_symmetry_Int_Tables_number   1
_cell_volume   319.123
_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
  Co  Co0  1  0.826  0.349  0.786  1.0
  Co  Co1  1  0.180  0.156  0.288  1.0
  Co  Co2  1  0.664  0.155  0.288  1.0
  Li  Li3  1  0.673  0.653  0.108  1.0
  Li  Li4  1  0.983  0.034  0.016  1.0
  Li  Li5  1  0.995  0.011  0.495  1.0
  Li  Li6  1  0.324  0.353  0.598  1.0
  O  O7  1  0.508  0.984  0.662  1.0
  O  O8  1  0.657  0.685  0.898  1.0
  O  O9  1  0.996  0.007  0.683  1.0
  O  O10  1  0.009  0.983  0.200  1.0
  O  O11  1  0.151  0.698  0.897  1.0
  O  O12  1  0.829  0.341  0.414  1.0
  O  O13  1  0.333  0.334  0.394  1.0
  O  O14  1  0.488  0.025  0.147  1.0
  O  O15  1  0.344  0.807  0.407  1.0
  O  O16  1  0.849  0.807  0.406  1.0
  O  O17  1  0.510  0.540  0.656  1.0
  O  O18  1  0.950  0.540  0.656  1.0
  O  O19  1  0.046  0.480  0.152  1.0
  O  O20  1  0.475  0.480  0.152  1.0
  O  O21  1  0.170  0.164  0.906  1.0
  O  O22  1  0.666  0.164  0.906  1.0
  Sb  Sb23  1  0.177  0.646  0.284  1.0
  Sb  Sb24  1  0.333  0.842  0.784  1.0
  Sb  Sb25  1  0.826  0.842  0.784  1.0
  Ti  Ti26  1  0.680  0.640  0.497  1.0
  Ti  Ti27  1  0.360  0.280  0.028  1.0
[/CIF]
.