The compound described by YTi2O4 crystallizes in the orthorhombic Imma space group. Y(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form YO6 octahedra that share corners with six equivalent Ti(2)O6 octahedra, edges with two equivalent Y(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share edges with two equivalent Ti(1)O6 octahedra, edges with four equivalent Y(1)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. In the second Ti site, Ti(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Y(1)O6 octahedra, edges with two equivalent Y(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Y(1), one Ti(2), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to two equivalent Y(1), one Ti(1), and two equivalent Ti(2) atoms to form a mixture of edge and corner-sharing OY2Ti3 square pyramids. is represented by the CIF file [CIF]
data_YTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.204
_cell_length_b   6.204
_cell_length_c   6.204
_cell_angle_alpha   120.343
_cell_angle_beta   117.343
_cell_angle_gamma   92.035
_symmetry_Int_Tables_number   1
_cell_volume   171.571
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Y  Y1  1  0.500  0.000  0.500  1.0
  Ti  Ti2  1  0.500  0.000  0.000  1.0
  Ti  Ti3  1  0.000  0.500  0.500  1.0
  Ti  Ti4  1  0.500  0.500  0.500  1.0
  Ti  Ti5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.298  0.264  0.035  1.0
  O  O7  1  0.748  0.267  0.019  1.0
  O  O8  1  0.729  0.264  0.465  1.0
  O  O9  1  0.252  0.271  0.519  1.0
  O  O10  1  0.271  0.736  0.535  1.0
  O  O11  1  0.252  0.733  0.981  1.0
  O  O12  1  0.748  0.729  0.481  1.0
  O  O13  1  0.702  0.736  0.965  1.0
[/CIF]
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The compound described by YTi2O4 crystallizes in the orthorhombic Imma space group. Y(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form YO6 octahedra that share corners with six equivalent Ti(2)O6 octahedra, edges with two equivalent Y(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share edges with two equivalent Ti(1)O6 octahedra, edges with four equivalent Y(1)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. In the second Ti site, Ti(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Y(1)O6 octahedra, edges with two equivalent Y(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Y(1), one Ti(2), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to two equivalent Y(1), one Ti(1), and two equivalent Ti(2) atoms to form a mixture of edge and corner-sharing OY2Ti3 square pyramids. is represented by the CIF file [CIF]
data_YTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.204
_cell_length_b   6.204
_cell_length_c   6.204
_cell_angle_alpha   120.343
_cell_angle_beta   117.343
_cell_angle_gamma   92.035
_symmetry_Int_Tables_number   1
_cell_volume   171.571
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Y  Y1  1  0.500  0.000  0.500  1.0
  Ti  Ti2  1  0.500  0.000  0.000  1.0
  Ti  Ti3  1  0.000  0.500  0.500  1.0
  Ti  Ti4  1  0.500  0.500  0.500  1.0
  Ti  Ti5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.298  0.264  0.035  1.0
  O  O7  1  0.748  0.267  0.019  1.0
  O  O8  1  0.729  0.264  0.465  1.0
  O  O9  1  0.252  0.271  0.519  1.0
  O  O10  1  0.271  0.736  0.535  1.0
  O  O11  1  0.252  0.733  0.981  1.0
  O  O12  1  0.748  0.729  0.481  1.0
  O  O13  1  0.702  0.736  0.965  1.0
[/CIF]
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