The structure described by YTi3O6 crystallizes in the triclinic P-1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(12), one O(3), one O(4), one O(5), and two equivalent O(7) atoms. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one O(8), one O(9), two equivalent O(11), two equivalent O(2), and two equivalent O(6) atoms. There are eight inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a square co-planar geometry to two equivalent O(4) and two equivalent O(7) atoms. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one O(3), one O(5), one O(6), one O(8), and one O(9) atom. In the third Ti site, Ti(3) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(10), and two equivalent O(4) atoms. In the fourth Ti site, Ti(4) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(12), one O(2), and one O(3) atom. In the fifth Ti site, Ti(5) is bonded in a square co-planar geometry to one O(10), one O(12), one O(4), and one O(5) atom. In the sixth Ti site, Ti(6) is bonded in a distorted octahedral geometry to two equivalent O(11), two equivalent O(6), and two equivalent O(8) atoms. In the seventh Ti site, Ti(7) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(7) atoms. In the eighth Ti site, Ti(8) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Y(1), one Ti(3), and one Ti(7) atom. In the second O site, O(2) is bonded to two equivalent Y(2), one Ti(4), and one Ti(8) atom to form OY2Ti2 tetrahedra that share corners with four equivalent O(6)Y2Ti2 tetrahedra, corners with two equivalent O(3)YTi3 trigonal pyramids, and  an edgeedge with one O(2)Y2Ti2 tetrahedra. In the third O site, O(3) is bonded to one Y(1), one Ti(2), one Ti(4), and one Ti(8) atom to form distorted OYTi3 trigonal pyramids that share  a cornercorner with one O(6)Y2Ti2 tetrahedra, corners with two equivalent O(2)Y2Ti2 tetrahedra, corners with two equivalent O(7)Y2Ti2 tetrahedra, and  a cornercorner with one O(4)YTi3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Y(1), one Ti(1), one Ti(3), and one Ti(5) atom to form distorted OYTi3 trigonal pyramids that share corners with two equivalent O(7)Y2Ti2 tetrahedra,  a cornercorner with one O(3)YTi3 trigonal pyramid, corners with two equivalent O(4)YTi3 trigonal pyramids, and  an edgeedge with one O(7)Y2Ti2 tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Y(1), one Ti(2), and one Ti(5) atom. In the sixth O site, O(6) is bonded to two equivalent Y(2), one Ti(2), and one Ti(6) atom to form distorted OY2Ti2 tetrahedra that share  a cornercorner with one O(6)Y2Ti2 tetrahedra, corners with four equivalent O(2)Y2Ti2 tetrahedra,  a cornercorner with one O(3)YTi3 trigonal pyramid, and  an edgeedge with one O(6)Y2Ti2 tetrahedra. In the seventh O site, O(7) is bonded to two equivalent Y(1), one Ti(1), and one Ti(7) atom to form distorted OY2Ti2 tetrahedra that share corners with two equivalent O(7)Y2Ti2 tetrahedra, corners with two equivalent O(3)YTi3 trigonal pyramids, corners with two equivalent O(4)YTi3 trigonal pyramids,  an edgeedge with one O(7)Y2Ti2 tetrahedra, and  an edgeedge with one O(4)YTi3 trigonal pyramid. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Y(2), one Ti(2), one Ti(6), and one Ti(8) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Y(2), one Ti(2), and one Ti(8) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Y(1), one Ti(3), and one Ti(5) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to two equivalent Y(2), one Ti(4), and one Ti(6) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Y(1), one Ti(4), and one Ti(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YTi3O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.047
_cell_length_b   6.565
_cell_length_c   15.068
_cell_angle_alpha   97.179
_cell_angle_beta   92.660
_cell_angle_gamma   117.063
_symmetry_Int_Tables_number   1
_cell_volume   524.875
_cell_formula_units_Z   4
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
  Y  Y0  1  0.970  0.501  0.123  1.0
  Y  Y1  1  0.330  0.175  0.463  1.0
  Y  Y2  1  0.030  0.499  0.877  1.0
  Y  Y3  1  0.670  0.825  0.537  1.0
  Ti  Ti4  1  0.000  0.000  0.000  1.0
  Ti  Ti5  1  0.232  0.660  0.341  1.0
  Ti  Ti6  1  0.768  0.340  0.659  1.0
  Ti  Ti7  1  0.500  0.000  0.000  1.0
  Ti  Ti8  1  0.792  0.655  0.324  1.0
  Ti  Ti9  1  0.208  0.345  0.676  1.0
  Ti  Ti10  1  0.415  0.173  0.832  1.0
  Ti  Ti11  1  0.585  0.827  0.168  1.0
  Ti  Ti12  1  0.000  0.500  0.500  1.0
  Ti  Ti13  1  0.500  0.500  0.000  1.0
  Ti  Ti14  1  0.791  0.157  0.341  1.0
  Ti  Ti15  1  0.209  0.843  0.659  1.0
  O  O16  1  0.549  0.294  0.067  1.0
  O  O17  1  0.885  0.945  0.400  1.0
  O  O18  1  0.133  0.599  0.731  1.0
  O  O19  1  0.201  0.950  0.910  1.0
  O  O20  1  0.327  0.605  0.223  1.0
  O  O21  1  0.723  0.205  0.529  1.0
  O  O22  1  0.451  0.706  0.933  1.0
  O  O23  1  0.867  0.401  0.269  1.0
  O  O24  1  0.115  0.055  0.600  1.0
  O  O25  1  0.799  0.050  0.090  1.0
  O  O26  1  0.277  0.795  0.471  1.0
  O  O27  1  0.673  0.395  0.777  1.0
  O  O28  1  0.862  0.661  0.997  1.0
  O  O29  1  0.148  0.376  0.395  1.0
  O  O30  1  0.553  0.988  0.658  1.0
  O  O31  1  0.313  0.836  0.095  1.0
  O  O32  1  0.680  0.511  0.429  1.0
  O  O33  1  0.174  0.266  0.796  1.0
  O  O34  1  0.687  0.164  0.905  1.0
  O  O35  1  0.826  0.734  0.204  1.0
  O  O36  1  0.320  0.489  0.571  1.0
  O  O37  1  0.138  0.339  0.003  1.0
  O  O38  1  0.447  0.012  0.342  1.0
  O  O39  1  0.852  0.624  0.605  1.0
[/CIF]
.
The structure described by YTi3O6 crystallizes in the triclinic P-1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(12), one O(3), one O(4), one O(5), and two equivalent O(7) atoms. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one O(8), one O(9), two equivalent O(11), two equivalent O(2), and two equivalent O(6) atoms. There are eight inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a square co-planar geometry to two equivalent O(4) and two equivalent O(7) atoms. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one O(3), one O(5), one O(6), one O(8), and one O(9) atom. In the third Ti site, Ti(3) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(10), and two equivalent O(4) atoms. In the fourth Ti site, Ti(4) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(12), one O(2), and one O(3) atom. In the fifth Ti site, Ti(5) is bonded in a square co-planar geometry to one O(10), one O(12), one O(4), and one O(5) atom. In the sixth Ti site, Ti(6) is bonded in a distorted octahedral geometry to two equivalent O(11), two equivalent O(6), and two equivalent O(8) atoms. In the seventh Ti site, Ti(7) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(7) atoms. In the eighth Ti site, Ti(8) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Y(1), one Ti(3), and one Ti(7) atom. In the second O site, O(2) is bonded to two equivalent Y(2), one Ti(4), and one Ti(8) atom to form OY2Ti2 tetrahedra that share corners with four equivalent O(6)Y2Ti2 tetrahedra, corners with two equivalent O(3)YTi3 trigonal pyramids, and  an edgeedge with one O(2)Y2Ti2 tetrahedra. In the third O site, O(3) is bonded to one Y(1), one Ti(2), one Ti(4), and one Ti(8) atom to form distorted OYTi3 trigonal pyramids that share  a cornercorner with one O(6)Y2Ti2 tetrahedra, corners with two equivalent O(2)Y2Ti2 tetrahedra, corners with two equivalent O(7)Y2Ti2 tetrahedra, and  a cornercorner with one O(4)YTi3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Y(1), one Ti(1), one Ti(3), and one Ti(5) atom to form distorted OYTi3 trigonal pyramids that share corners with two equivalent O(7)Y2Ti2 tetrahedra,  a cornercorner with one O(3)YTi3 trigonal pyramid, corners with two equivalent O(4)YTi3 trigonal pyramids, and  an edgeedge with one O(7)Y2Ti2 tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Y(1), one Ti(2), and one Ti(5) atom. In the sixth O site, O(6) is bonded to two equivalent Y(2), one Ti(2), and one Ti(6) atom to form distorted OY2Ti2 tetrahedra that share  a cornercorner with one O(6)Y2Ti2 tetrahedra, corners with four equivalent O(2)Y2Ti2 tetrahedra,  a cornercorner with one O(3)YTi3 trigonal pyramid, and  an edgeedge with one O(6)Y2Ti2 tetrahedra. In the seventh O site, O(7) is bonded to two equivalent Y(1), one Ti(1), and one Ti(7) atom to form distorted OY2Ti2 tetrahedra that share corners with two equivalent O(7)Y2Ti2 tetrahedra, corners with two equivalent O(3)YTi3 trigonal pyramids, corners with two equivalent O(4)YTi3 trigonal pyramids,  an edgeedge with one O(7)Y2Ti2 tetrahedra, and  an edgeedge with one O(4)YTi3 trigonal pyramid. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Y(2), one Ti(2), one Ti(6), and one Ti(8) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Y(2), one Ti(2), and one Ti(8) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Y(1), one Ti(3), and one Ti(5) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to two equivalent Y(2), one Ti(4), and one Ti(6) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Y(1), one Ti(4), and one Ti(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YTi3O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.047
_cell_length_b   6.565
_cell_length_c   15.068
_cell_angle_alpha   97.179
_cell_angle_beta   92.660
_cell_angle_gamma   117.063
_symmetry_Int_Tables_number   1
_cell_volume   524.875
_cell_formula_units_Z   4
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
  Y  Y0  1  0.970  0.501  0.123  1.0
  Y  Y1  1  0.330  0.175  0.463  1.0
  Y  Y2  1  0.030  0.499  0.877  1.0
  Y  Y3  1  0.670  0.825  0.537  1.0
  Ti  Ti4  1  0.000  0.000  0.000  1.0
  Ti  Ti5  1  0.232  0.660  0.341  1.0
  Ti  Ti6  1  0.768  0.340  0.659  1.0
  Ti  Ti7  1  0.500  0.000  0.000  1.0
  Ti  Ti8  1  0.792  0.655  0.324  1.0
  Ti  Ti9  1  0.208  0.345  0.676  1.0
  Ti  Ti10  1  0.415  0.173  0.832  1.0
  Ti  Ti11  1  0.585  0.827  0.168  1.0
  Ti  Ti12  1  0.000  0.500  0.500  1.0
  Ti  Ti13  1  0.500  0.500  0.000  1.0
  Ti  Ti14  1  0.791  0.157  0.341  1.0
  Ti  Ti15  1  0.209  0.843  0.659  1.0
  O  O16  1  0.549  0.294  0.067  1.0
  O  O17  1  0.885  0.945  0.400  1.0
  O  O18  1  0.133  0.599  0.731  1.0
  O  O19  1  0.201  0.950  0.910  1.0
  O  O20  1  0.327  0.605  0.223  1.0
  O  O21  1  0.723  0.205  0.529  1.0
  O  O22  1  0.451  0.706  0.933  1.0
  O  O23  1  0.867  0.401  0.269  1.0
  O  O24  1  0.115  0.055  0.600  1.0
  O  O25  1  0.799  0.050  0.090  1.0
  O  O26  1  0.277  0.795  0.471  1.0
  O  O27  1  0.673  0.395  0.777  1.0
  O  O28  1  0.862  0.661  0.997  1.0
  O  O29  1  0.148  0.376  0.395  1.0
  O  O30  1  0.553  0.988  0.658  1.0
  O  O31  1  0.313  0.836  0.095  1.0
  O  O32  1  0.680  0.511  0.429  1.0
  O  O33  1  0.174  0.266  0.796  1.0
  O  O34  1  0.687  0.164  0.905  1.0
  O  O35  1  0.826  0.734  0.204  1.0
  O  O36  1  0.320  0.489  0.571  1.0
  O  O37  1  0.138  0.339  0.003  1.0
  O  O38  1  0.447  0.012  0.342  1.0
  O  O39  1  0.852  0.624  0.605  1.0
[/CIF]
.