The crystal structure described by CoTi2O5 crystallizes in the triclinic P1 space group. There are twelve inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), one O(26), one O(3), one O(30), and one O(5) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(9)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Ti(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-53°. In the second Ti site, Ti(2) is bonded to one O(1), one O(27), one O(29), one O(3), one O(4), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(10)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-53°. In the third Ti site, Ti(3) is bonded to one O(10), one O(11), one O(14), one O(2), one O(7), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(11)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-46°. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(12), one O(15), one O(6), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-46°. In the fifth Ti site, Ti(5) is bonded to one O(10), one O(11), one O(13), one O(14), one O(20), and one O(7) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Ti(9)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  an edgeedge with one Ti(8)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-48°. In the sixth Ti site, Ti(6) is bonded to one O(12), one O(13), one O(15), one O(19), one O(6), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(10)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-48°. In the seventh Ti site, Ti(7) is bonded to one O(12), one O(16), one O(18), one O(19), one O(21), and one O(24) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and edges with two equivalent Ti(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-45°. In the eighth Ti site, Ti(8) is bonded to one O(11), one O(17), one O(18), one O(20), one O(22), and one O(25) atom to form a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 27-45°. In the ninth Ti site, Ti(9) is bonded to one O(17), one O(20), one O(22), one O(23), one O(25), and one O(30) atom to form a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 32-53°. In the tenth Ti site, Ti(10) is bonded to one O(16), one O(19), one O(21), one O(23), one O(24), and one O(29) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Ti(9)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and edges with two equivalent Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-53°. In the eleventh Ti site, Ti(11) is bonded to one O(2), one O(22), one O(26), one O(28), one O(30), and one O(5) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  an edgeedge with one Ti(9)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-48°. In the twelfth Ti site, Ti(12) is bonded in a 6-coordinate geometry to one O(23), one O(26), one O(27), one O(29), one O(3), and one O(30) atom. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(28), one O(4), one O(5), and one O(8) atom. In the second Co site, Co(2) is bonded to one O(10), one O(13), one O(3), one O(6), one O(7), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and  an edgeedge with one Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles are 31°. In the third Co site, Co(3) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(14), one O(15), one O(18), and one O(8) atom. In the fourth Co site, Co(4) is bonded in a 6-coordinate geometry to one O(13), one O(16), one O(17), one O(19), one O(20), and one O(23) atom. In the fifth Co site, Co(5) is bonded in a 6-coordinate geometry to one O(18), one O(21), one O(22), one O(24), one O(25), and one O(28) atom. In the sixth Co site, Co(6) is bonded to one O(1), one O(21), one O(27), one O(28), one O(29), and one O(4) atom to form distorted CoO6 octahedra that share  a cornercorner with one Ti(11)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra,  an edgeedge with one Ti(10)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-48°. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ti(2), one Ti(4), one Co(1), and one Co(6) atom. In the second O site, O(2) is bonded to one Ti(1), one Ti(11), one Ti(3), and one Co(1) atom to form distorted OTi3Co trigonal pyramids that share  a cornercorner with one O(11)Ti3Co trigonal pyramid,  a cornercorner with one O(3)Ti3Co trigonal pyramid,  an edgeedge with one O(8)Ti2Co2 tetrahedra,  an edgeedge with one O(10)Ti3Co trigonal pyramid,  an edgeedge with one O(30)Ti4 trigonal pyramid, and  an edgeedge with one O(28)TiCo3 trigonal pyramid. In the third O site, O(3) is bonded to one Ti(1), one Ti(12), one Ti(2), and one Co(2) atom to form distorted OTi3Co trigonal pyramids that share  a cornercorner with one O(13)Ti2Co2 tetrahedra,  a cornercorner with one O(2)Ti3Co trigonal pyramid,  a cornercorner with one O(23)Ti3Co trigonal pyramid,  an edgeedge with one O(10)Ti3Co trigonal pyramid,  an edgeedge with one O(29)Ti3Co trigonal pyramid,  an edgeedge with one O(9)Ti3Co trigonal pyramid, and  an edgeedge with one O(30)Ti4 trigonal pyramid. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(2), one Co(1), and one Co(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Ti(11), and one Co(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ti(4), one Ti(6), and one Co(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ti(3), one Ti(5), and one Co(2) atom. In the eighth O site, O(8) is bonded to one Ti(3), one Ti(4), one Co(1), and one Co(3) atom to form distorted OTi2Co2 tetrahedra that share  a cornercorner with one O(18)Ti2Co2 tetrahedra,  a cornercorner with one O(10)Ti3Co trigonal pyramid,  a cornercorner with one O(9)Ti3Co trigonal pyramid,  a cornercorner with one O(28)TiCo3 trigonal pyramid,  an edgeedge with one O(11)Ti3Co trigonal pyramid,  an edgeedge with one O(12)Ti3Co trigonal pyramid, and  an edgeedge with one O(2)Ti3Co trigonal pyramid. In the ninth O site, O(9) is bonded to one Ti(2), one Ti(4), one Ti(6), and one Co(2) atom to form distorted OTi3Co trigonal pyramids that share  a cornercorner with one O(8)Ti2Co2 tetrahedra,  a cornercorner with one O(10)Ti3Co trigonal pyramid,  a cornercorner with one O(19)Ti3Co trigonal pyramid,  a cornercorner with one O(29)Ti3Co trigonal pyramid,  an edgeedge with one O(13)Ti2Co2 tetrahedra,  an edgeedge with one O(12)Ti3Co trigonal pyramid, and  an edgeedge with one O(3)Ti3Co trigonal pyramid. In the tenth O site, O(10) is bonded to one Ti(1), one Ti(3), one Ti(5), and one Co(2) atom to form distorted OTi3Co trigonal pyramids that share  a cornercorner with one O(8)Ti2Co2 tetrahedra,  a cornercorner with one O(20)Ti3Co trigonal pyramid,  a cornercorner with one O(9)Ti3Co trigonal pyramid,  a cornercorner with one O(30)Ti4 trigonal pyramid,  an edgeedge with one O(13)Ti2Co2 tetrahedra,  an edgeedge with one O(11)Ti3Co trigonal pyramid,  an edgeedge with one O(2)Ti3Co trigonal pyramid, and  an edgeedge with one O(3)Ti3Co trigonal pyramid. In the eleventh O site, O(11) is bonded to one Ti(3), one Ti(5), one Ti(8), and one Co(3) atom to form distorted OTi3Co trigonal pyramids that share  a cornercorner with one O(13)Ti2Co2 tetrahedra,  a cornercorner with one O(12)Ti3Co trigonal pyramid,  a cornercorner with one O(2)Ti3Co trigonal pyramid,  an edgeedge with one O(18)Ti2Co2 tetrahedra,  an edgeedge with one O(8)Ti2Co2 tetrahedra,  an edgeedge with one O(10)Ti3Co trigonal pyramid, and  an edgeedge with one O(20)Ti3Co trigonal pyramid. In the twelfth O site, O(12) is bonded to one Ti(4), one Ti(6), one Ti(7), and one Co(3) atom to form distorted OTi3Co trigonal pyramids that share  a cornercorner with one O(13)Ti2Co2 tetrahedra,  a cornercorner with one O(21)Ti2Co2 trigonal pyramid,  a cornercorner with one O(11)Ti3Co trigonal pyramid,  an edgeedge with one O(18)Ti2Co2 tetrahedra,  an edgeedge with one O(8)Ti2Co2 tetrahedra,  an edgeedge with one O(19)Ti3Co trigonal pyramid, and  an edgeedge with one O(9)Ti3Co trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Ti(5), one Ti(6), one Co(2), and one Co(4) atom to form a mixture of distorted edge and corner-sharing OTi2Co2 tetrahedra. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one Ti(3), one Ti(5), and one Co(3) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Ti(4), one Ti(6), and one Co(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Ti(10), one Ti(7), and one Co(4) atom. In the seventeenth O site, O(17) is bonded in a distorted T-shaped geometry to one Ti(8), one Ti(9), and one Co(4) atom. In the eighteenth O site, O(18) is bonded to one Ti(7), one Ti(8), one Co(3), and one Co(5) atom to form distorted OTi2Co2 tetrahedra that share  a cornercorner with one O(8)Ti2Co2 tetrahedra,  a cornercorner with one O(19)Ti3Co trigonal pyramid,  a cornercorner with one O(20)Ti3Co trigonal pyramid,  a cornercorner with one O(28)TiCo3 trigonal pyramid,  an edgeedge with one O(21)Ti2Co2 trigonal pyramid,  an edgeedge with one O(11)Ti3Co trigonal pyramid, and  an edgeedge with one O(12)Ti3Co trigonal pyramid. In the nineteenth O site, O(19) is bonded to one Ti(10), one Ti(6), one Ti(7), and one Co(4) atom to form distorted OTi3Co trigonal pyramids that share  a cornercorner with one O(18)Ti2Co2 tetrahedra,  a cornercorner with one O(20)Ti3Co trigonal pyramid,  a cornercorner with one O(29)Ti3Co trigonal pyramid,  a cornercorner with one O(9)Ti3Co trigonal pyramid,  an edgeedge with one O(13)Ti2Co2 tetrahedra,  an edgeedge with one O(21)Ti2Co2 trigonal pyramid,  an edgeedge with one O(12)Ti3Co trigonal pyramid, and  an edgeedge with one O(23)Ti3Co trigonal pyramid. In the twentieth O site, O(20) is bonded to one Ti(5), one Ti(8), one Ti(9), and one Co(4) atom to form distorted OTi3Co trigonal pyramids that share  a cornercorner with one O(18)Ti2Co2 tetrahedra,  a cornercorner with one O(10)Ti3Co trigonal pyramid,  a cornercorner with one O(19)Ti3Co trigonal pyramid,  a cornercorner with one O(30)Ti4 trigonal pyramid,  an edgeedge with one O(13)Ti2Co2 tetrahedra,  an edgeedge with one O(11)Ti3Co trigonal pyramid, and  an edgeedge with one O(23)Ti3Co trigonal pyramid. In the twenty-first O site, O(21) is bonded to one Ti(10), one Ti(7), one Co(5), and one Co(6) atom to form distorted OTi2Co2 trigonal pyramids that share  a cornercorner with one O(12)Ti3Co trigonal pyramid,  a cornercorner with one O(23)Ti3Co trigonal pyramid,  an edgeedge with one O(18)Ti2Co2 tetrahedra,  an edgeedge with one O(19)Ti3Co trigonal pyramid,  an edgeedge with one O(29)Ti3Co trigonal pyramid, and  an edgeedge with one O(28)TiCo3 trigonal pyramid. In the twenty-second O site, O(22) is bonded in a distorted rectangular see-saw-like geometry to one Ti(11), one Ti(8), one Ti(9), and one Co(5) atom. In the twenty-third O site, O(23) is bonded to one Ti(10), one Ti(12), one Ti(9), and one Co(4) atom to form distorted OTi3Co trigonal pyramids that share  a cornercorner with one O(13)Ti2Co2 tetrahedra,  a cornercorner with one O(21)Ti2Co2 trigonal pyramid,  a cornercorner with one O(3)Ti3Co trigonal pyramid,  an edgeedge with one O(19)Ti3Co trigonal pyramid,  an edgeedge with one O(20)Ti3Co trigonal pyramid,  an edgeedge with one O(29)Ti3Co trigonal pyramid, and  an edgeedge with one O(30)Ti4 trigonal pyramid. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal non-coplanar geometry to one Ti(10), one Ti(7), and one Co(5) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal non-coplanar geometry to one Ti(8), one Ti(9), and one Co(5) atom. In the twenty-sixth O site, O(26) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(11), and one Ti(12) atom. In the twenty-seventh O site, O(27) is bonded in a distorted T-shaped geometry to one Ti(12), one Ti(2), and one Co(6) atom. In the twenty-eighth O site, O(28) is bonded to one Ti(11), one Co(1), one Co(5), and one Co(6) atom to form distorted OTiCo3 trigonal pyramids that share  a cornercorner with one O(18)Ti2Co2 tetrahedra,  a cornercorner with one O(8)Ti2Co2 tetrahedra,  a cornercorner with one O(29)Ti3Co trigonal pyramid,  a cornercorner with one O(30)Ti4 trigonal pyramid,  an edgeedge with one O(21)Ti2Co2 trigonal pyramid, and  an edgeedge with one O(2)Ti3Co trigonal pyramid. In the twenty-ninth O site, O(29) is bonded to one Ti(10), one Ti(12), one Ti(2), and one Co(6) atom to form distorted OTi3Co trigonal pyramids that share  a cornercorner with one O(19)Ti3Co trigonal pyramid,  a cornercorner with one O(9)Ti3Co trigonal pyramid,  a cornercorner with one O(30)Ti4 trigonal pyramid,  a cornercorner with one O(28)TiCo3 trigonal pyramid,  an edgeedge with one O(21)Ti2Co2 trigonal pyramid,  an edgeedge with one O(23)Ti3Co trigonal pyramid, and  an edgeedge with one O(3)Ti3Co trigonal pyramid. In the thirtieth O site, O(30) is bonded to one Ti(1), one Ti(11), one Ti(12), and one Ti(9) atom to form distorted OTi4 trigonal pyramids that share  a cornercorner with one O(10)Ti3Co trigonal pyramid,  a cornercorner with one O(20)Ti3Co trigonal pyramid,  a cornercorner with one O(29)Ti3Co trigonal pyramid,  a cornercorner with one O(28)TiCo3 trigonal pyramid,  an edgeedge with one O(2)Ti3Co trigonal pyramid,  an edgeedge with one O(23)Ti3Co trigonal pyramid, and  an edgeedge with one O(3)Ti3Co trigonal pyramid. is represented by the CIF file [CIF]
data_Ti2CoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.281
_cell_length_b   5.253
_cell_length_c   10.195
_cell_angle_alpha   90.137
_cell_angle_beta   89.849
_cell_angle_gamma   69.072
_symmetry_Int_Tables_number   1
_cell_volume   564.243
_cell_formula_units_Z   6
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  0.046  0.735  0.936  1.0
  Ti  Ti1  1  0.046  0.734  0.552  1.0
  Ti  Ti2  1  0.287  0.264  0.068  1.0
  Ti  Ti3  1  0.288  0.263  0.436  1.0
  Ti  Ti4  1  0.379  0.732  0.928  1.0
  Ti  Ti5  1  0.379  0.730  0.569  1.0
  Ti  Ti6  1  0.623  0.276  0.436  1.0
  Ti  Ti7  1  0.618  0.273  0.069  1.0
  Ti  Ti8  1  0.710  0.736  0.937  1.0
  Ti  Ti9  1  0.712  0.734  0.558  1.0
  Ti  Ti10  1  0.951  0.283  0.074  1.0
  Ti  Ti11  1  0.938  0.379  0.747  1.0
  Co  Co12  1  0.065  0.623  0.249  1.0
  Co  Co13  1  0.271  0.379  0.750  1.0
  Co  Co14  1  0.392  0.624  0.250  1.0
  Co  Co15  1  0.606  0.373  0.750  1.0
  Co  Co16  1  0.729  0.618  0.250  1.0
  Co  Co17  1  0.954  0.280  0.435  1.0
  O  O18  1  0.112  0.372  0.446  1.0
  O  O19  1  0.105  0.375  0.054  1.0
  O  O20  1  0.068  0.536  0.757  1.0
  O  O21  1  0.016  0.889  0.392  1.0
  O  O22  1  0.012  0.911  0.108  1.0
  O  O23  1  0.326  0.091  0.613  1.0
  O  O24  1  0.325  0.091  0.887  1.0
  O  O25  1  0.263  0.425  0.248  1.0
  O  O26  1  0.228  0.637  0.574  1.0
  O  O27  1  0.225  0.639  0.931  1.0
  O  O28  1  0.436  0.373  0.053  1.0
  O  O29  1  0.437  0.382  0.442  1.0
  O  O30  1  0.409  0.566  0.751  1.0
  O  O31  1  0.341  0.906  0.111  1.0
  O  O32  1  0.346  0.905  0.389  1.0
  O  O33  1  0.652  0.092  0.610  1.0
  O  O34  1  0.656  0.086  0.886  1.0
  O  O35  1  0.589  0.430  0.246  1.0
  O  O36  1  0.564  0.629  0.567  1.0
  O  O37  1  0.564  0.627  0.938  1.0
  O  O38  1  0.763  0.388  0.433  1.0
  O  O39  1  0.770  0.367  0.061  1.0
  O  O40  1  0.752  0.537  0.752  1.0
  O  O41  1  0.683  0.910  0.387  1.0
  O  O42  1  0.676  0.906  0.111  1.0
  O  O43  1  0.986  0.097  0.880  1.0
  O  O44  1  0.985  0.096  0.629  1.0
  O  O45  1  0.928  0.448  0.238  1.0
  O  O46  1  0.895  0.633  0.576  1.0
  O  O47  1  0.896  0.620  0.936  1.0
[/CIF]
.
The crystal structure described by CoTi2O5 crystallizes in the triclinic P1 space group. There are twelve inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), one O(26), one O(3), one O(30), and one O(5) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(9)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Ti(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-53°. In the second Ti site, Ti(2) is bonded to one O(1), one O(27), one O(29), one O(3), one O(4), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(10)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-53°. In the third Ti site, Ti(3) is bonded to one O(10), one O(11), one O(14), one O(2), one O(7), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(11)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-46°. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(12), one O(15), one O(6), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-46°. In the fifth Ti site, Ti(5) is bonded to one O(10), one O(11), one O(13), one O(14), one O(20), and one O(7) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Ti(9)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  an edgeedge with one Ti(8)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-48°. In the sixth Ti site, Ti(6) is bonded to one O(12), one O(13), one O(15), one O(19), one O(6), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(10)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-48°. In the seventh Ti site, Ti(7) is bonded to one O(12), one O(16), one O(18), one O(19), one O(21), and one O(24) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and edges with two equivalent Ti(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-45°. In the eighth Ti site, Ti(8) is bonded to one O(11), one O(17), one O(18), one O(20), one O(22), and one O(25) atom to form a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 27-45°. In the ninth Ti site, Ti(9) is bonded to one O(17), one O(20), one O(22), one O(23), one O(25), and one O(30) atom to form a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 32-53°. In the tenth Ti site, Ti(10) is bonded to one O(16), one O(19), one O(21), one O(23), one O(24), and one O(29) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Ti(9)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and edges with two equivalent Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-53°. In the eleventh Ti site, Ti(11) is bonded to one O(2), one O(22), one O(26), one O(28), one O(30), and one O(5) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  an edgeedge with one Ti(9)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-48°. In the twelfth Ti site, Ti(12) is bonded in a 6-coordinate geometry to one O(23), one O(26), one O(27), one O(29), one O(3), and one O(30) atom. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(28), one O(4), one O(5), and one O(8) atom. In the second Co site, Co(2) is bonded to one O(10), one O(13), one O(3), one O(6), one O(7), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and  an edgeedge with one Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles are 31°. In the third Co site, Co(3) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(14), one O(15), one O(18), and one O(8) atom. In the fourth Co site, Co(4) is bonded in a 6-coordinate geometry to one O(13), one O(16), one O(17), one O(19), one O(20), and one O(23) atom. In the fifth Co site, Co(5) is bonded in a 6-coordinate geometry to one O(18), one O(21), one O(22), one O(24), one O(25), and one O(28) atom. In the sixth Co site, Co(6) is bonded to one O(1), one O(21), one O(27), one O(28), one O(29), and one O(4) atom to form distorted CoO6 octahedra that share  a cornercorner with one Ti(11)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra,  an edgeedge with one Ti(10)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-48°. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ti(2), one Ti(4), one Co(1), and one Co(6) atom. In the second O site, O(2) is bonded to one Ti(1), one Ti(11), one Ti(3), and one Co(1) atom to form distorted OTi3Co trigonal pyramids that share  a cornercorner with one O(11)Ti3Co trigonal pyramid,  a cornercorner with one O(3)Ti3Co trigonal pyramid,  an edgeedge with one O(8)Ti2Co2 tetrahedra,  an edgeedge with one O(10)Ti3Co trigonal pyramid,  an edgeedge with one O(30)Ti4 trigonal pyramid, and  an edgeedge with one O(28)TiCo3 trigonal pyramid. In the third O site, O(3) is bonded to one Ti(1), one Ti(12), one Ti(2), and one Co(2) atom to form distorted OTi3Co trigonal pyramids that share  a cornercorner with one O(13)Ti2Co2 tetrahedra,  a cornercorner with one O(2)Ti3Co trigonal pyramid,  a cornercorner with one O(23)Ti3Co trigonal pyramid,  an edgeedge with one O(10)Ti3Co trigonal pyramid,  an edgeedge with one O(29)Ti3Co trigonal pyramid,  an edgeedge with one O(9)Ti3Co trigonal pyramid, and  an edgeedge with one O(30)Ti4 trigonal pyramid. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(2), one Co(1), and one Co(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Ti(11), and one Co(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ti(4), one Ti(6), and one Co(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ti(3), one Ti(5), and one Co(2) atom. In the eighth O site, O(8) is bonded to one Ti(3), one Ti(4), one Co(1), and one Co(3) atom to form distorted OTi2Co2 tetrahedra that share  a cornercorner with one O(18)Ti2Co2 tetrahedra,  a cornercorner with one O(10)Ti3Co trigonal pyramid,  a cornercorner with one O(9)Ti3Co trigonal pyramid,  a cornercorner with one O(28)TiCo3 trigonal pyramid,  an edgeedge with one O(11)Ti3Co trigonal pyramid,  an edgeedge with one O(12)Ti3Co trigonal pyramid, and  an edgeedge with one O(2)Ti3Co trigonal pyramid. In the ninth O site, O(9) is bonded to one Ti(2), one Ti(4), one Ti(6), and one Co(2) atom to form distorted OTi3Co trigonal pyramids that share  a cornercorner with one O(8)Ti2Co2 tetrahedra,  a cornercorner with one O(10)Ti3Co trigonal pyramid,  a cornercorner with one O(19)Ti3Co trigonal pyramid,  a cornercorner with one O(29)Ti3Co trigonal pyramid,  an edgeedge with one O(13)Ti2Co2 tetrahedra,  an edgeedge with one O(12)Ti3Co trigonal pyramid, and  an edgeedge with one O(3)Ti3Co trigonal pyramid. In the tenth O site, O(10) is bonded to one Ti(1), one Ti(3), one Ti(5), and one Co(2) atom to form distorted OTi3Co trigonal pyramids that share  a cornercorner with one O(8)Ti2Co2 tetrahedra,  a cornercorner with one O(20)Ti3Co trigonal pyramid,  a cornercorner with one O(9)Ti3Co trigonal pyramid,  a cornercorner with one O(30)Ti4 trigonal pyramid,  an edgeedge with one O(13)Ti2Co2 tetrahedra,  an edgeedge with one O(11)Ti3Co trigonal pyramid,  an edgeedge with one O(2)Ti3Co trigonal pyramid, and  an edgeedge with one O(3)Ti3Co trigonal pyramid. In the eleventh O site, O(11) is bonded to one Ti(3), one Ti(5), one Ti(8), and one Co(3) atom to form distorted OTi3Co trigonal pyramids that share  a cornercorner with one O(13)Ti2Co2 tetrahedra,  a cornercorner with one O(12)Ti3Co trigonal pyramid,  a cornercorner with one O(2)Ti3Co trigonal pyramid,  an edgeedge with one O(18)Ti2Co2 tetrahedra,  an edgeedge with one O(8)Ti2Co2 tetrahedra,  an edgeedge with one O(10)Ti3Co trigonal pyramid, and  an edgeedge with one O(20)Ti3Co trigonal pyramid. In the twelfth O site, O(12) is bonded to one Ti(4), one Ti(6), one Ti(7), and one Co(3) atom to form distorted OTi3Co trigonal pyramids that share  a cornercorner with one O(13)Ti2Co2 tetrahedra,  a cornercorner with one O(21)Ti2Co2 trigonal pyramid,  a cornercorner with one O(11)Ti3Co trigonal pyramid,  an edgeedge with one O(18)Ti2Co2 tetrahedra,  an edgeedge with one O(8)Ti2Co2 tetrahedra,  an edgeedge with one O(19)Ti3Co trigonal pyramid, and  an edgeedge with one O(9)Ti3Co trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Ti(5), one Ti(6), one Co(2), and one Co(4) atom to form a mixture of distorted edge and corner-sharing OTi2Co2 tetrahedra. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one Ti(3), one Ti(5), and one Co(3) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Ti(4), one Ti(6), and one Co(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Ti(10), one Ti(7), and one Co(4) atom. In the seventeenth O site, O(17) is bonded in a distorted T-shaped geometry to one Ti(8), one Ti(9), and one Co(4) atom. In the eighteenth O site, O(18) is bonded to one Ti(7), one Ti(8), one Co(3), and one Co(5) atom to form distorted OTi2Co2 tetrahedra that share  a cornercorner with one O(8)Ti2Co2 tetrahedra,  a cornercorner with one O(19)Ti3Co trigonal pyramid,  a cornercorner with one O(20)Ti3Co trigonal pyramid,  a cornercorner with one O(28)TiCo3 trigonal pyramid,  an edgeedge with one O(21)Ti2Co2 trigonal pyramid,  an edgeedge with one O(11)Ti3Co trigonal pyramid, and  an edgeedge with one O(12)Ti3Co trigonal pyramid. In the nineteenth O site, O(19) is bonded to one Ti(10), one Ti(6), one Ti(7), and one Co(4) atom to form distorted OTi3Co trigonal pyramids that share  a cornercorner with one O(18)Ti2Co2 tetrahedra,  a cornercorner with one O(20)Ti3Co trigonal pyramid,  a cornercorner with one O(29)Ti3Co trigonal pyramid,  a cornercorner with one O(9)Ti3Co trigonal pyramid,  an edgeedge with one O(13)Ti2Co2 tetrahedra,  an edgeedge with one O(21)Ti2Co2 trigonal pyramid,  an edgeedge with one O(12)Ti3Co trigonal pyramid, and  an edgeedge with one O(23)Ti3Co trigonal pyramid. In the twentieth O site, O(20) is bonded to one Ti(5), one Ti(8), one Ti(9), and one Co(4) atom to form distorted OTi3Co trigonal pyramids that share  a cornercorner with one O(18)Ti2Co2 tetrahedra,  a cornercorner with one O(10)Ti3Co trigonal pyramid,  a cornercorner with one O(19)Ti3Co trigonal pyramid,  a cornercorner with one O(30)Ti4 trigonal pyramid,  an edgeedge with one O(13)Ti2Co2 tetrahedra,  an edgeedge with one O(11)Ti3Co trigonal pyramid, and  an edgeedge with one O(23)Ti3Co trigonal pyramid. In the twenty-first O site, O(21) is bonded to one Ti(10), one Ti(7), one Co(5), and one Co(6) atom to form distorted OTi2Co2 trigonal pyramids that share  a cornercorner with one O(12)Ti3Co trigonal pyramid,  a cornercorner with one O(23)Ti3Co trigonal pyramid,  an edgeedge with one O(18)Ti2Co2 tetrahedra,  an edgeedge with one O(19)Ti3Co trigonal pyramid,  an edgeedge with one O(29)Ti3Co trigonal pyramid, and  an edgeedge with one O(28)TiCo3 trigonal pyramid. In the twenty-second O site, O(22) is bonded in a distorted rectangular see-saw-like geometry to one Ti(11), one Ti(8), one Ti(9), and one Co(5) atom. In the twenty-third O site, O(23) is bonded to one Ti(10), one Ti(12), one Ti(9), and one Co(4) atom to form distorted OTi3Co trigonal pyramids that share  a cornercorner with one O(13)Ti2Co2 tetrahedra,  a cornercorner with one O(21)Ti2Co2 trigonal pyramid,  a cornercorner with one O(3)Ti3Co trigonal pyramid,  an edgeedge with one O(19)Ti3Co trigonal pyramid,  an edgeedge with one O(20)Ti3Co trigonal pyramid,  an edgeedge with one O(29)Ti3Co trigonal pyramid, and  an edgeedge with one O(30)Ti4 trigonal pyramid. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal non-coplanar geometry to one Ti(10), one Ti(7), and one Co(5) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal non-coplanar geometry to one Ti(8), one Ti(9), and one Co(5) atom. In the twenty-sixth O site, O(26) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(11), and one Ti(12) atom. In the twenty-seventh O site, O(27) is bonded in a distorted T-shaped geometry to one Ti(12), one Ti(2), and one Co(6) atom. In the twenty-eighth O site, O(28) is bonded to one Ti(11), one Co(1), one Co(5), and one Co(6) atom to form distorted OTiCo3 trigonal pyramids that share  a cornercorner with one O(18)Ti2Co2 tetrahedra,  a cornercorner with one O(8)Ti2Co2 tetrahedra,  a cornercorner with one O(29)Ti3Co trigonal pyramid,  a cornercorner with one O(30)Ti4 trigonal pyramid,  an edgeedge with one O(21)Ti2Co2 trigonal pyramid, and  an edgeedge with one O(2)Ti3Co trigonal pyramid. In the twenty-ninth O site, O(29) is bonded to one Ti(10), one Ti(12), one Ti(2), and one Co(6) atom to form distorted OTi3Co trigonal pyramids that share  a cornercorner with one O(19)Ti3Co trigonal pyramid,  a cornercorner with one O(9)Ti3Co trigonal pyramid,  a cornercorner with one O(30)Ti4 trigonal pyramid,  a cornercorner with one O(28)TiCo3 trigonal pyramid,  an edgeedge with one O(21)Ti2Co2 trigonal pyramid,  an edgeedge with one O(23)Ti3Co trigonal pyramid, and  an edgeedge with one O(3)Ti3Co trigonal pyramid. In the thirtieth O site, O(30) is bonded to one Ti(1), one Ti(11), one Ti(12), and one Ti(9) atom to form distorted OTi4 trigonal pyramids that share  a cornercorner with one O(10)Ti3Co trigonal pyramid,  a cornercorner with one O(20)Ti3Co trigonal pyramid,  a cornercorner with one O(29)Ti3Co trigonal pyramid,  a cornercorner with one O(28)TiCo3 trigonal pyramid,  an edgeedge with one O(2)Ti3Co trigonal pyramid,  an edgeedge with one O(23)Ti3Co trigonal pyramid, and  an edgeedge with one O(3)Ti3Co trigonal pyramid. is represented by the CIF file [CIF]
data_Ti2CoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.281
_cell_length_b   5.253
_cell_length_c   10.195
_cell_angle_alpha   90.137
_cell_angle_beta   89.849
_cell_angle_gamma   69.072
_symmetry_Int_Tables_number   1
_cell_volume   564.243
_cell_formula_units_Z   6
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  0.046  0.735  0.936  1.0
  Ti  Ti1  1  0.046  0.734  0.552  1.0
  Ti  Ti2  1  0.287  0.264  0.068  1.0
  Ti  Ti3  1  0.288  0.263  0.436  1.0
  Ti  Ti4  1  0.379  0.732  0.928  1.0
  Ti  Ti5  1  0.379  0.730  0.569  1.0
  Ti  Ti6  1  0.623  0.276  0.436  1.0
  Ti  Ti7  1  0.618  0.273  0.069  1.0
  Ti  Ti8  1  0.710  0.736  0.937  1.0
  Ti  Ti9  1  0.712  0.734  0.558  1.0
  Ti  Ti10  1  0.951  0.283  0.074  1.0
  Ti  Ti11  1  0.938  0.379  0.747  1.0
  Co  Co12  1  0.065  0.623  0.249  1.0
  Co  Co13  1  0.271  0.379  0.750  1.0
  Co  Co14  1  0.392  0.624  0.250  1.0
  Co  Co15  1  0.606  0.373  0.750  1.0
  Co  Co16  1  0.729  0.618  0.250  1.0
  Co  Co17  1  0.954  0.280  0.435  1.0
  O  O18  1  0.112  0.372  0.446  1.0
  O  O19  1  0.105  0.375  0.054  1.0
  O  O20  1  0.068  0.536  0.757  1.0
  O  O21  1  0.016  0.889  0.392  1.0
  O  O22  1  0.012  0.911  0.108  1.0
  O  O23  1  0.326  0.091  0.613  1.0
  O  O24  1  0.325  0.091  0.887  1.0
  O  O25  1  0.263  0.425  0.248  1.0
  O  O26  1  0.228  0.637  0.574  1.0
  O  O27  1  0.225  0.639  0.931  1.0
  O  O28  1  0.436  0.373  0.053  1.0
  O  O29  1  0.437  0.382  0.442  1.0
  O  O30  1  0.409  0.566  0.751  1.0
  O  O31  1  0.341  0.906  0.111  1.0
  O  O32  1  0.346  0.905  0.389  1.0
  O  O33  1  0.652  0.092  0.610  1.0
  O  O34  1  0.656  0.086  0.886  1.0
  O  O35  1  0.589  0.430  0.246  1.0
  O  O36  1  0.564  0.629  0.567  1.0
  O  O37  1  0.564  0.627  0.938  1.0
  O  O38  1  0.763  0.388  0.433  1.0
  O  O39  1  0.770  0.367  0.061  1.0
  O  O40  1  0.752  0.537  0.752  1.0
  O  O41  1  0.683  0.910  0.387  1.0
  O  O42  1  0.676  0.906  0.111  1.0
  O  O43  1  0.986  0.097  0.880  1.0
  O  O44  1  0.985  0.096  0.629  1.0
  O  O45  1  0.928  0.448  0.238  1.0
  O  O46  1  0.895  0.633  0.576  1.0
  O  O47  1  0.896  0.620  0.936  1.0
[/CIF]
.