The structure described by YbTiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Yb(1) is bonded to six equivalent O(1) atoms to form distorted YbO6 pentagonal pyramids that share corners with nine equivalent Ti(1)O6 octahedra, edges with three equivalent Yb(1)O6 pentagonal pyramids, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-64°. Ti(1) is bonded to six equivalent O(1) atoms to form distorted TiO6 octahedra that share corners with nine equivalent Yb(1)O6 pentagonal pyramids, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Yb(1)O6 pentagonal pyramid. O(1) is bonded in a distorted see-saw-like geometry to two equivalent Yb(1) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_YbTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.847
_cell_length_b   5.847
_cell_length_c   5.847
_cell_angle_alpha   53.890
_cell_angle_beta   53.890
_cell_angle_gamma   53.890
_symmetry_Int_Tables_number   1
_cell_volume   121.154
_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
  Yb  Yb0  1  0.361  0.361  0.361  1.0
  Yb  Yb1  1  0.639  0.639  0.639  1.0
  Ti  Ti2  1  0.148  0.148  0.148  1.0
  Ti  Ti3  1  0.852  0.852  0.852  1.0
  O  O4  1  0.435  0.810  0.026  1.0
  O  O5  1  0.810  0.026  0.435  1.0
  O  O6  1  0.026  0.435  0.810  1.0
  O  O7  1  0.974  0.565  0.190  1.0
  O  O8  1  0.190  0.974  0.565  1.0
  O  O9  1  0.565  0.190  0.974  1.0
[/CIF]
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The structure described by YbTiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Yb(1) is bonded to six equivalent O(1) atoms to form distorted YbO6 pentagonal pyramids that share corners with nine equivalent Ti(1)O6 octahedra, edges with three equivalent Yb(1)O6 pentagonal pyramids, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-64°. Ti(1) is bonded to six equivalent O(1) atoms to form distorted TiO6 octahedra that share corners with nine equivalent Yb(1)O6 pentagonal pyramids, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Yb(1)O6 pentagonal pyramid. O(1) is bonded in a distorted see-saw-like geometry to two equivalent Yb(1) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_YbTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.847
_cell_length_b   5.847
_cell_length_c   5.847
_cell_angle_alpha   53.890
_cell_angle_beta   53.890
_cell_angle_gamma   53.890
_symmetry_Int_Tables_number   1
_cell_volume   121.154
_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
  Yb  Yb0  1  0.361  0.361  0.361  1.0
  Yb  Yb1  1  0.639  0.639  0.639  1.0
  Ti  Ti2  1  0.148  0.148  0.148  1.0
  Ti  Ti3  1  0.852  0.852  0.852  1.0
  O  O4  1  0.435  0.810  0.026  1.0
  O  O5  1  0.810  0.026  0.435  1.0
  O  O6  1  0.026  0.435  0.810  1.0
  O  O7  1  0.974  0.565  0.190  1.0
  O  O8  1  0.190  0.974  0.565  1.0
  O  O9  1  0.565  0.190  0.974  1.0
[/CIF]
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