The material structure described by Ti6Co3O16 crystallizes in the monoclinic P2_1 space group. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(1), one O(13), one O(2), one O(4), one O(6), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and  an edgeedge with one Ti(6)O6 octahedra. In the third Ti site, Ti(3) is bonded to one O(1), one O(12), one O(3), one O(5), one O(7), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. In the fourth Ti site, Ti(4) is bonded to one O(10), one O(11), one O(12), one O(15), one O(16), and one O(3) atom to form TiO6 octahedra that share  a cornercorner with one Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and  an edgeedge with one Ti(6)O6 octahedra. In the fifth Ti site, Ti(5) is bonded to one O(11), one O(13), one O(14), one O(15), one O(6), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Co(2)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and edges with two equivalent Ti(6)O6 octahedra. In the sixth Ti site, Ti(6) is bonded to one O(11), one O(13), one O(14), one O(16), one O(4), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Co(2)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and edges with two equivalent Ti(5)O6 octahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(11), one O(2), and one O(9) atom to form CoO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, and corners with two equivalent Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-58°. In the second Co site, Co(2) is bonded to one O(15), one O(16), one O(7), and one O(8) atom to form CoO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, and corners with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-61°. In the third Co site, Co(3) is bonded to one O(10), one O(12), one O(13), and one O(14) atom to form CoO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, and corners with two equivalent Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(2), one Ti(3), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Co(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Ti(3), and one Ti(4) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Ti(2) and one Ti(6) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Ti(1) and one Ti(3) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Ti(2) and one Ti(5) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Ti(1), one Ti(3), and one Co(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal pyramidal geometry to one Ti(1), one Ti(2), one Ti(3), and one Co(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ti(5), one Ti(6), and one Co(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(4), and one Co(3) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Ti(4), one Ti(5), one Ti(6), and one Co(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ti(3), one Ti(4), and one Co(3) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Ti(2), one Ti(5), one Ti(6), and one Co(3) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Ti(5), one Ti(6), and one Co(3) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Ti(4), one Ti(5), and one Co(2) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Ti(4), one Ti(6), and one Co(2) atom. is represented by the CIF card [CIF]
data_Ti6Co3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.476
_cell_length_b   8.394
_cell_length_c   8.427
_cell_angle_alpha   89.839
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   599.503
_cell_formula_units_Z   2
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
  Ti  Ti0  1  0.885  0.610  0.867  1.0
  Ti  Ti1  1  0.367  0.109  0.894  1.0
  Ti  Ti2  1  0.646  0.364  0.883  1.0
  Ti  Ti3  1  0.620  0.611  0.620  1.0
  Ti  Ti4  1  0.365  0.864  0.636  1.0
  Ti  Ti5  1  0.111  0.132  0.645  1.0
  Ti  Ti6  1  0.865  0.136  0.364  1.0
  Ti  Ti7  1  0.611  0.868  0.355  1.0
  Ti  Ti8  1  0.120  0.389  0.380  1.0
  Ti  Ti9  1  0.867  0.891  0.106  1.0
  Ti  Ti10  1  0.385  0.390  0.133  1.0
  Ti  Ti11  1  0.146  0.636  0.117  1.0
  Co  Co12  1  0.743  0.996  0.745  1.0
  Co  Co13  1  0.259  0.492  0.759  1.0
  Co  Co14  1  0.994  0.759  0.499  1.0
  Co  Co15  1  0.494  0.241  0.501  1.0
  Co  Co16  1  0.759  0.508  0.241  1.0
  Co  Co17  1  0.243  0.004  0.255  1.0
  O  O18  1  0.610  0.135  0.852  1.0
  O  O19  1  0.857  0.865  0.887  1.0
  O  O20  1  0.649  0.597  0.847  1.0
  O  O21  1  0.148  0.127  0.853  1.0
  O  O22  1  0.860  0.389  0.880  1.0
  O  O23  1  0.378  0.895  0.850  1.0
  O  O24  1  0.112  0.614  0.891  1.0
  O  O25  1  0.392  0.356  0.898  1.0
  O  O26  1  0.890  0.100  0.617  1.0
  O  O27  1  0.865  0.647  0.636  1.0
  O  O28  1  0.609  0.862  0.614  1.0
  O  O29  1  0.604  0.386  0.632  1.0
  O  O30  1  0.362  0.114  0.633  1.0
  O  O31  1  0.143  0.887  0.603  1.0
  O  O32  1  0.392  0.641  0.633  1.0
  O  O33  1  0.141  0.358  0.607  1.0
  O  O34  1  0.862  0.886  0.367  1.0
  O  O35  1  0.643  0.113  0.397  1.0
  O  O36  1  0.641  0.642  0.393  1.0
  O  O37  1  0.390  0.900  0.383  1.0
  O  O38  1  0.892  0.359  0.367  1.0
  O  O39  1  0.365  0.353  0.364  1.0
  O  O40  1  0.109  0.138  0.386  1.0
  O  O41  1  0.104  0.614  0.368  1.0
  O  O42  1  0.878  0.105  0.150  1.0
  O  O43  1  0.892  0.644  0.102  1.0
  O  O44  1  0.648  0.873  0.147  1.0
  O  O45  1  0.357  0.135  0.113  1.0
  O  O46  1  0.360  0.611  0.120  1.0
  O  O47  1  0.612  0.386  0.109  1.0
  O  O48  1  0.110  0.865  0.148  1.0
  O  O49  1  0.149  0.403  0.153  1.0
[/CIF]
.
The material structure described by Ti6Co3O16 crystallizes in the monoclinic P2_1 space group. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(1), one O(13), one O(2), one O(4), one O(6), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and  an edgeedge with one Ti(6)O6 octahedra. In the third Ti site, Ti(3) is bonded to one O(1), one O(12), one O(3), one O(5), one O(7), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. In the fourth Ti site, Ti(4) is bonded to one O(10), one O(11), one O(12), one O(15), one O(16), and one O(3) atom to form TiO6 octahedra that share  a cornercorner with one Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and  an edgeedge with one Ti(6)O6 octahedra. In the fifth Ti site, Ti(5) is bonded to one O(11), one O(13), one O(14), one O(15), one O(6), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Co(2)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and edges with two equivalent Ti(6)O6 octahedra. In the sixth Ti site, Ti(6) is bonded to one O(11), one O(13), one O(14), one O(16), one O(4), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Co(2)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and edges with two equivalent Ti(5)O6 octahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(11), one O(2), and one O(9) atom to form CoO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, and corners with two equivalent Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-58°. In the second Co site, Co(2) is bonded to one O(15), one O(16), one O(7), and one O(8) atom to form CoO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, and corners with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-61°. In the third Co site, Co(3) is bonded to one O(10), one O(12), one O(13), and one O(14) atom to form CoO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, and corners with two equivalent Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(2), one Ti(3), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Co(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Ti(3), and one Ti(4) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Ti(2) and one Ti(6) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Ti(1) and one Ti(3) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Ti(2) and one Ti(5) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Ti(1), one Ti(3), and one Co(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal pyramidal geometry to one Ti(1), one Ti(2), one Ti(3), and one Co(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ti(5), one Ti(6), and one Co(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(4), and one Co(3) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Ti(4), one Ti(5), one Ti(6), and one Co(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ti(3), one Ti(4), and one Co(3) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Ti(2), one Ti(5), one Ti(6), and one Co(3) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Ti(5), one Ti(6), and one Co(3) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Ti(4), one Ti(5), and one Co(2) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Ti(4), one Ti(6), and one Co(2) atom. is represented by the CIF card [CIF]
data_Ti6Co3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.476
_cell_length_b   8.394
_cell_length_c   8.427
_cell_angle_alpha   89.839
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   599.503
_cell_formula_units_Z   2
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
  Ti  Ti0  1  0.885  0.610  0.867  1.0
  Ti  Ti1  1  0.367  0.109  0.894  1.0
  Ti  Ti2  1  0.646  0.364  0.883  1.0
  Ti  Ti3  1  0.620  0.611  0.620  1.0
  Ti  Ti4  1  0.365  0.864  0.636  1.0
  Ti  Ti5  1  0.111  0.132  0.645  1.0
  Ti  Ti6  1  0.865  0.136  0.364  1.0
  Ti  Ti7  1  0.611  0.868  0.355  1.0
  Ti  Ti8  1  0.120  0.389  0.380  1.0
  Ti  Ti9  1  0.867  0.891  0.106  1.0
  Ti  Ti10  1  0.385  0.390  0.133  1.0
  Ti  Ti11  1  0.146  0.636  0.117  1.0
  Co  Co12  1  0.743  0.996  0.745  1.0
  Co  Co13  1  0.259  0.492  0.759  1.0
  Co  Co14  1  0.994  0.759  0.499  1.0
  Co  Co15  1  0.494  0.241  0.501  1.0
  Co  Co16  1  0.759  0.508  0.241  1.0
  Co  Co17  1  0.243  0.004  0.255  1.0
  O  O18  1  0.610  0.135  0.852  1.0
  O  O19  1  0.857  0.865  0.887  1.0
  O  O20  1  0.649  0.597  0.847  1.0
  O  O21  1  0.148  0.127  0.853  1.0
  O  O22  1  0.860  0.389  0.880  1.0
  O  O23  1  0.378  0.895  0.850  1.0
  O  O24  1  0.112  0.614  0.891  1.0
  O  O25  1  0.392  0.356  0.898  1.0
  O  O26  1  0.890  0.100  0.617  1.0
  O  O27  1  0.865  0.647  0.636  1.0
  O  O28  1  0.609  0.862  0.614  1.0
  O  O29  1  0.604  0.386  0.632  1.0
  O  O30  1  0.362  0.114  0.633  1.0
  O  O31  1  0.143  0.887  0.603  1.0
  O  O32  1  0.392  0.641  0.633  1.0
  O  O33  1  0.141  0.358  0.607  1.0
  O  O34  1  0.862  0.886  0.367  1.0
  O  O35  1  0.643  0.113  0.397  1.0
  O  O36  1  0.641  0.642  0.393  1.0
  O  O37  1  0.390  0.900  0.383  1.0
  O  O38  1  0.892  0.359  0.367  1.0
  O  O39  1  0.365  0.353  0.364  1.0
  O  O40  1  0.109  0.138  0.386  1.0
  O  O41  1  0.104  0.614  0.368  1.0
  O  O42  1  0.878  0.105  0.150  1.0
  O  O43  1  0.892  0.644  0.102  1.0
  O  O44  1  0.648  0.873  0.147  1.0
  O  O45  1  0.357  0.135  0.113  1.0
  O  O46  1  0.360  0.611  0.120  1.0
  O  O47  1  0.612  0.386  0.109  1.0
  O  O48  1  0.110  0.865  0.148  1.0
  O  O49  1  0.149  0.403  0.153  1.0
[/CIF]
.