The compound described by LaY3Ti4O14 crystallizes in the trigonal R-3m space group. La(1) is bonded to two equivalent O(3) and six equivalent O(1) atoms to form LaO8 hexagonal bipyramids that share edges with six equivalent Y(1)O8 hexagonal bipyramids and edges with six equivalent Ti(2)O6 octahedra. Y(1) is bonded to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms to form distorted YO8 hexagonal bipyramids that share edges with two equivalent La(1)O8 hexagonal bipyramids, edges with four equivalent Y(1)O8 hexagonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to six equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Ti(2)O6 octahedra and edges with six equivalent Y(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. In the second Ti site, Ti(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, edges with two equivalent La(1)O8 hexagonal bipyramids, and edges with four equivalent Y(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 47-48°. There are three inequivalent O sites. In the first O site, O(3) is bonded to one La(1) and three equivalent Y(1) atoms to form OLaY3 tetrahedra that share corners with four equivalent O(3)LaY3 tetrahedra, corners with six equivalent O(1)LaYTi2 tetrahedra, corners with six equivalent O(2)Y2Ti2 tetrahedra, edges with three equivalent O(1)LaYTi2 tetrahedra, and edges with three equivalent O(2)Y2Ti2 tetrahedra. In the second O site, O(1) is bonded to one La(1), one Y(1), and two equivalent Ti(2) atoms to form distorted OLaYTi2 tetrahedra that share corners with two equivalent O(3)LaY3 tetrahedra, corners with four equivalent O(2)Y2Ti2 tetrahedra, corners with eight equivalent O(1)LaYTi2 tetrahedra,  an edgeedge with one O(3)LaY3 tetrahedra, edges with two equivalent O(1)LaYTi2 tetrahedra, and edges with two equivalent O(2)Y2Ti2 tetrahedra. In the third O site, O(2) is bonded to two equivalent Y(1), one Ti(1), and one Ti(2) atom to form distorted OY2Ti2 tetrahedra that share corners with two equivalent O(3)LaY3 tetrahedra, corners with four equivalent O(1)LaYTi2 tetrahedra, corners with eight equivalent O(2)Y2Ti2 tetrahedra,  an edgeedge with one O(3)LaY3 tetrahedra, edges with two equivalent O(1)LaYTi2 tetrahedra, and edges with two equivalent O(2)Y2Ti2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaY3Ti4O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.258
_cell_length_b   7.258
_cell_length_c   7.258
_cell_angle_alpha   60.080
_cell_angle_beta   60.080
_cell_angle_gamma   60.080
_symmetry_Int_Tables_number   1
_cell_volume   270.825
_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
  La  La0  1  0.500  0.500  0.500  1.0
  Y  Y1  1  0.000  0.500  0.500  1.0
  Y  Y2  1  0.500  0.500  0.000  1.0
  Y  Y3  1  0.500  0.000  0.500  1.0
  Ti  Ti4  1  0.000  0.000  0.000  1.0
  Ti  Ti5  1  0.500  0.000  0.000  1.0
  Ti  Ti6  1  0.000  0.000  0.500  1.0
  Ti  Ti7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.926  0.327  0.327  1.0
  O  O9  1  0.328  0.922  0.922  1.0
  O  O10  1  0.327  0.327  0.926  1.0
  O  O11  1  0.922  0.922  0.328  1.0
  O  O12  1  0.922  0.328  0.922  1.0
  O  O13  1  0.327  0.926  0.327  1.0
  O  O14  1  0.074  0.673  0.673  1.0
  O  O15  1  0.672  0.078  0.078  1.0
  O  O16  1  0.673  0.673  0.074  1.0
  O  O17  1  0.078  0.078  0.672  1.0
  O  O18  1  0.078  0.672  0.078  1.0
  O  O19  1  0.673  0.074  0.673  1.0
  O  O20  1  0.370  0.370  0.370  1.0
  O  O21  1  0.630  0.630  0.630  1.0
[/CIF]
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The compound described by LaY3Ti4O14 crystallizes in the trigonal R-3m space group. La(1) is bonded to two equivalent O(3) and six equivalent O(1) atoms to form LaO8 hexagonal bipyramids that share edges with six equivalent Y(1)O8 hexagonal bipyramids and edges with six equivalent Ti(2)O6 octahedra. Y(1) is bonded to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms to form distorted YO8 hexagonal bipyramids that share edges with two equivalent La(1)O8 hexagonal bipyramids, edges with four equivalent Y(1)O8 hexagonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to six equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Ti(2)O6 octahedra and edges with six equivalent Y(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. In the second Ti site, Ti(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, edges with two equivalent La(1)O8 hexagonal bipyramids, and edges with four equivalent Y(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 47-48°. There are three inequivalent O sites. In the first O site, O(3) is bonded to one La(1) and three equivalent Y(1) atoms to form OLaY3 tetrahedra that share corners with four equivalent O(3)LaY3 tetrahedra, corners with six equivalent O(1)LaYTi2 tetrahedra, corners with six equivalent O(2)Y2Ti2 tetrahedra, edges with three equivalent O(1)LaYTi2 tetrahedra, and edges with three equivalent O(2)Y2Ti2 tetrahedra. In the second O site, O(1) is bonded to one La(1), one Y(1), and two equivalent Ti(2) atoms to form distorted OLaYTi2 tetrahedra that share corners with two equivalent O(3)LaY3 tetrahedra, corners with four equivalent O(2)Y2Ti2 tetrahedra, corners with eight equivalent O(1)LaYTi2 tetrahedra,  an edgeedge with one O(3)LaY3 tetrahedra, edges with two equivalent O(1)LaYTi2 tetrahedra, and edges with two equivalent O(2)Y2Ti2 tetrahedra. In the third O site, O(2) is bonded to two equivalent Y(1), one Ti(1), and one Ti(2) atom to form distorted OY2Ti2 tetrahedra that share corners with two equivalent O(3)LaY3 tetrahedra, corners with four equivalent O(1)LaYTi2 tetrahedra, corners with eight equivalent O(2)Y2Ti2 tetrahedra,  an edgeedge with one O(3)LaY3 tetrahedra, edges with two equivalent O(1)LaYTi2 tetrahedra, and edges with two equivalent O(2)Y2Ti2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaY3Ti4O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.258
_cell_length_b   7.258
_cell_length_c   7.258
_cell_angle_alpha   60.080
_cell_angle_beta   60.080
_cell_angle_gamma   60.080
_symmetry_Int_Tables_number   1
_cell_volume   270.825
_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
  La  La0  1  0.500  0.500  0.500  1.0
  Y  Y1  1  0.000  0.500  0.500  1.0
  Y  Y2  1  0.500  0.500  0.000  1.0
  Y  Y3  1  0.500  0.000  0.500  1.0
  Ti  Ti4  1  0.000  0.000  0.000  1.0
  Ti  Ti5  1  0.500  0.000  0.000  1.0
  Ti  Ti6  1  0.000  0.000  0.500  1.0
  Ti  Ti7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.926  0.327  0.327  1.0
  O  O9  1  0.328  0.922  0.922  1.0
  O  O10  1  0.327  0.327  0.926  1.0
  O  O11  1  0.922  0.922  0.328  1.0
  O  O12  1  0.922  0.328  0.922  1.0
  O  O13  1  0.327  0.926  0.327  1.0
  O  O14  1  0.074  0.673  0.673  1.0
  O  O15  1  0.672  0.078  0.078  1.0
  O  O16  1  0.673  0.673  0.074  1.0
  O  O17  1  0.078  0.078  0.672  1.0
  O  O18  1  0.078  0.672  0.078  1.0
  O  O19  1  0.673  0.074  0.673  1.0
  O  O20  1  0.370  0.370  0.370  1.0
  O  O21  1  0.630  0.630  0.630  1.0
[/CIF]
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