The material described by Li4Ti3Cr2Co3O16 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 Co(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra, and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-64°. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. 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 Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-62°. 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 Cr(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. 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 TiO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Co(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 Cr site, Cr(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Co site, Co(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 CoO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. 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 Cr(1), and one Co(2) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Ti(1), and one Cr(1) atom to form distorted OLiTi2Cr tetrahedra that share corners with two equivalent O(4)LiTi2Co tetrahedra, corners with two equivalent O(6)LiTiCrCo tetrahedra,  a cornercorner with one O(8)LiCrCo2 trigonal pyramid, edges with two equivalent O(6)LiTiCrCo tetrahedra, and  an edgeedge with one O(3)LiTi2Co trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), two equivalent Ti(1), and one Co(1) atom to form distorted OLiTi2Co trigonal pyramids that share  a cornercorner with one O(12)LiCrCo2 tetrahedra, corners with three equivalent O(4)LiTi2Co tetrahedra,  an edgeedge with one O(2)LiTi2Cr tetrahedra, and edges with two equivalent O(6)LiTiCrCo tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Ti(1), and one Co(1) atom to form distorted OLiTi2Co tetrahedra that share corners with two equivalent O(2)LiTi2Cr tetrahedra, corners with four equivalent O(6)LiTiCrCo tetrahedra,  a cornercorner with one O(8)LiCrCo2 trigonal pyramid, and corners with three equivalent O(3)LiTi2Co trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Ti(2), and two equivalent Co(2) atoms to form a mixture of distorted corner and edge-sharing OLiTiCo2 tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Ti(1), one Cr(1), and one Co(1) atom to form distorted OLiTiCrCo tetrahedra that share  a cornercorner with one O(2)LiTi2Cr tetrahedra,  a cornercorner with one O(6)LiTiCrCo tetrahedra, corners with two equivalent O(4)LiTi2Co tetrahedra,  a cornercorner with one O(8)LiCrCo2 trigonal pyramid,  an edgeedge with one O(2)LiTi2Cr tetrahedra,  an edgeedge with one O(6)LiTiCrCo tetrahedra, and  an edgeedge with one O(3)LiTi2Co trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Ti(1), and one Cr(2) atom. In the eighth O site, O(8) is bonded to one Li(3), one Cr(1), and two equivalent Co(2) atoms to form distorted OLiCrCo2 trigonal pyramids that share  a cornercorner with one O(4)LiTi2Co tetrahedra,  a cornercorner with one O(2)LiTi2Cr tetrahedra, corners with two equivalent O(12)LiCrCo2 tetrahedra, corners with two equivalent O(6)LiTiCrCo tetrahedra, and  an edgeedge with one O(5)LiTiCo2 tetrahedra. 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 Cr(2), and one Co(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 Co(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 Cr(2), and one Co(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Cr(2), and two equivalent Co(2) atoms to form distorted OLiCrCo2 tetrahedra that share corners with two equivalent O(5)LiTiCo2 tetrahedra,  a cornercorner with one O(3)LiTi2Co trigonal pyramid, and corners with two equivalent O(8)LiCrCo2 trigonal pyramids. is represented by the CIF card [CIF]
data_Li4Ti3Cr2Co3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.855
_cell_length_b   5.855
_cell_length_c   9.575
_cell_angle_alpha   89.548
_cell_angle_beta   89.548
_cell_angle_gamma   60.461
_symmetry_Int_Tables_number   1
_cell_volume   285.558
_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  0.331  0.331  0.890  1.0
  Li  Li1  1  0.011  0.011  0.994  1.0
  Li  Li2  1  0.007  0.007  0.498  1.0
  Li  Li3  1  0.664  0.664  0.397  1.0
  Ti  Ti4  1  0.165  0.662  0.214  1.0
  Ti  Ti5  1  0.662  0.165  0.214  1.0
  Ti  Ti6  1  0.828  0.828  0.717  1.0
  Cr  Cr7  1  0.332  0.332  0.485  1.0
  Cr  Cr8  1  0.664  0.664  0.982  1.0
  Co  Co9  1  0.169  0.169  0.212  1.0
  Co  Co10  1  0.336  0.828  0.709  1.0
  Co  Co11  1  0.828  0.336  0.709  1.0
  O  O12  1  0.161  0.671  0.601  1.0
  O  O13  1  0.480  0.480  0.337  1.0
  O  O14  1  0.333  0.333  0.105  1.0
  O  O15  1  0.004  0.004  0.310  1.0
  O  O16  1  0.001  0.001  0.808  1.0
  O  O17  1  0.671  0.161  0.601  1.0
  O  O18  1  0.039  0.485  0.342  1.0
  O  O19  1  0.485  0.039  0.342  1.0
  O  O20  1  0.835  0.835  0.105  1.0
  O  O21  1  0.167  0.167  0.606  1.0
  O  O22  1  0.524  0.962  0.841  1.0
  O  O23  1  0.962  0.524  0.841  1.0
  O  O24  1  0.669  0.669  0.601  1.0
  O  O25  1  0.328  0.829  0.103  1.0
  O  O26  1  0.519  0.519  0.837  1.0
  O  O27  1  0.829  0.328  0.103  1.0
[/CIF]
.
The material described by Li4Ti3Cr2Co3O16 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 Co(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra, and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-64°. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. 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 Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-62°. 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 Cr(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. 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 TiO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Co(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 Cr site, Cr(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Co site, Co(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 CoO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. 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 Cr(1), and one Co(2) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Ti(1), and one Cr(1) atom to form distorted OLiTi2Cr tetrahedra that share corners with two equivalent O(4)LiTi2Co tetrahedra, corners with two equivalent O(6)LiTiCrCo tetrahedra,  a cornercorner with one O(8)LiCrCo2 trigonal pyramid, edges with two equivalent O(6)LiTiCrCo tetrahedra, and  an edgeedge with one O(3)LiTi2Co trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), two equivalent Ti(1), and one Co(1) atom to form distorted OLiTi2Co trigonal pyramids that share  a cornercorner with one O(12)LiCrCo2 tetrahedra, corners with three equivalent O(4)LiTi2Co tetrahedra,  an edgeedge with one O(2)LiTi2Cr tetrahedra, and edges with two equivalent O(6)LiTiCrCo tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Ti(1), and one Co(1) atom to form distorted OLiTi2Co tetrahedra that share corners with two equivalent O(2)LiTi2Cr tetrahedra, corners with four equivalent O(6)LiTiCrCo tetrahedra,  a cornercorner with one O(8)LiCrCo2 trigonal pyramid, and corners with three equivalent O(3)LiTi2Co trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Ti(2), and two equivalent Co(2) atoms to form a mixture of distorted corner and edge-sharing OLiTiCo2 tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Ti(1), one Cr(1), and one Co(1) atom to form distorted OLiTiCrCo tetrahedra that share  a cornercorner with one O(2)LiTi2Cr tetrahedra,  a cornercorner with one O(6)LiTiCrCo tetrahedra, corners with two equivalent O(4)LiTi2Co tetrahedra,  a cornercorner with one O(8)LiCrCo2 trigonal pyramid,  an edgeedge with one O(2)LiTi2Cr tetrahedra,  an edgeedge with one O(6)LiTiCrCo tetrahedra, and  an edgeedge with one O(3)LiTi2Co trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Ti(1), and one Cr(2) atom. In the eighth O site, O(8) is bonded to one Li(3), one Cr(1), and two equivalent Co(2) atoms to form distorted OLiCrCo2 trigonal pyramids that share  a cornercorner with one O(4)LiTi2Co tetrahedra,  a cornercorner with one O(2)LiTi2Cr tetrahedra, corners with two equivalent O(12)LiCrCo2 tetrahedra, corners with two equivalent O(6)LiTiCrCo tetrahedra, and  an edgeedge with one O(5)LiTiCo2 tetrahedra. 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 Cr(2), and one Co(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 Co(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 Cr(2), and one Co(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Cr(2), and two equivalent Co(2) atoms to form distorted OLiCrCo2 tetrahedra that share corners with two equivalent O(5)LiTiCo2 tetrahedra,  a cornercorner with one O(3)LiTi2Co trigonal pyramid, and corners with two equivalent O(8)LiCrCo2 trigonal pyramids. is represented by the CIF card [CIF]
data_Li4Ti3Cr2Co3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.855
_cell_length_b   5.855
_cell_length_c   9.575
_cell_angle_alpha   89.548
_cell_angle_beta   89.548
_cell_angle_gamma   60.461
_symmetry_Int_Tables_number   1
_cell_volume   285.558
_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  0.331  0.331  0.890  1.0
  Li  Li1  1  0.011  0.011  0.994  1.0
  Li  Li2  1  0.007  0.007  0.498  1.0
  Li  Li3  1  0.664  0.664  0.397  1.0
  Ti  Ti4  1  0.165  0.662  0.214  1.0
  Ti  Ti5  1  0.662  0.165  0.214  1.0
  Ti  Ti6  1  0.828  0.828  0.717  1.0
  Cr  Cr7  1  0.332  0.332  0.485  1.0
  Cr  Cr8  1  0.664  0.664  0.982  1.0
  Co  Co9  1  0.169  0.169  0.212  1.0
  Co  Co10  1  0.336  0.828  0.709  1.0
  Co  Co11  1  0.828  0.336  0.709  1.0
  O  O12  1  0.161  0.671  0.601  1.0
  O  O13  1  0.480  0.480  0.337  1.0
  O  O14  1  0.333  0.333  0.105  1.0
  O  O15  1  0.004  0.004  0.310  1.0
  O  O16  1  0.001  0.001  0.808  1.0
  O  O17  1  0.671  0.161  0.601  1.0
  O  O18  1  0.039  0.485  0.342  1.0
  O  O19  1  0.485  0.039  0.342  1.0
  O  O20  1  0.835  0.835  0.105  1.0
  O  O21  1  0.167  0.167  0.606  1.0
  O  O22  1  0.524  0.962  0.841  1.0
  O  O23  1  0.962  0.524  0.841  1.0
  O  O24  1  0.669  0.669  0.601  1.0
  O  O25  1  0.328  0.829  0.103  1.0
  O  O26  1  0.519  0.519  0.837  1.0
  O  O27  1  0.829  0.328  0.103  1.0
[/CIF]
.