The compound described by Y2CuTiO6 crystallizes in the hexagonal P-6m2 space group. Y(1) is bonded in a 7-coordinate geometry to one O(4), three equivalent O(1), and three equivalent O(2) atoms. Ti(1) is bonded to two equivalent O(1) and three equivalent O(3) atoms to form corner-sharing TiO5 trigonal bipyramids. Cu(1) is bonded to two equivalent O(2) and three equivalent O(4) atoms to form corner-sharing CuO5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Y(1) and one Ti(1) atom. In the second O site, O(2) is bonded to three equivalent Y(1) and one Cu(1) atom to form OY3Cu tetrahedra that share corners with seven equivalent O(2)Y3Cu tetrahedra and edges with three equivalent O(4)Y2Cu3 trigonal bipyramids. In the third O site, O(3) is bonded in a trigonal planar geometry to three equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Y(1) and three equivalent Cu(1) atoms to form OY2Cu3 trigonal bipyramids that share corners with six equivalent O(4)Y2Cu3 trigonal bipyramids and edges with six equivalent O(2)Y3Cu tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2TiCuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.634
_cell_length_b   3.634
_cell_length_c   11.341
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   59.990
_symmetry_Int_Tables_number   1
_cell_volume   129.679
_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
  Y  Y0  1  1.000  1.000  0.272  1.0
  Y  Y1  1  1.000  1.000  0.724  1.0
  Ti  Ti2  1  0.333  0.333  0.998  1.0
  Cu  Cu3  1  0.667  0.667  0.498  1.0
  O  O4  1  0.333  0.333  0.162  1.0
  O  O5  1  0.667  0.667  0.666  1.0
  O  O6  1  0.000  0.000  0.998  1.0
  O  O7  1  1.000  1.000  0.498  1.0
  O  O8  1  0.667  0.667  0.330  1.0
  O  O9  1  0.333  0.333  0.834  1.0
[/CIF]
.
The compound described by Y2CuTiO6 crystallizes in the hexagonal P-6m2 space group. Y(1) is bonded in a 7-coordinate geometry to one O(4), three equivalent O(1), and three equivalent O(2) atoms. Ti(1) is bonded to two equivalent O(1) and three equivalent O(3) atoms to form corner-sharing TiO5 trigonal bipyramids. Cu(1) is bonded to two equivalent O(2) and three equivalent O(4) atoms to form corner-sharing CuO5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Y(1) and one Ti(1) atom. In the second O site, O(2) is bonded to three equivalent Y(1) and one Cu(1) atom to form OY3Cu tetrahedra that share corners with seven equivalent O(2)Y3Cu tetrahedra and edges with three equivalent O(4)Y2Cu3 trigonal bipyramids. In the third O site, O(3) is bonded in a trigonal planar geometry to three equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Y(1) and three equivalent Cu(1) atoms to form OY2Cu3 trigonal bipyramids that share corners with six equivalent O(4)Y2Cu3 trigonal bipyramids and edges with six equivalent O(2)Y3Cu tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2TiCuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.634
_cell_length_b   3.634
_cell_length_c   11.341
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   59.990
_symmetry_Int_Tables_number   1
_cell_volume   129.679
_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
  Y  Y0  1  1.000  1.000  0.272  1.0
  Y  Y1  1  1.000  1.000  0.724  1.0
  Ti  Ti2  1  0.333  0.333  0.998  1.0
  Cu  Cu3  1  0.667  0.667  0.498  1.0
  O  O4  1  0.333  0.333  0.162  1.0
  O  O5  1  0.667  0.667  0.666  1.0
  O  O6  1  0.000  0.000  0.998  1.0
  O  O7  1  1.000  1.000  0.498  1.0
  O  O8  1  0.667  0.667  0.330  1.0
  O  O9  1  0.333  0.333  0.834  1.0
[/CIF]
.