The material structure described by YTi2O4 is Spinel-like structured and 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(1)O4 tetrahedra, edges with two equivalent Y(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 two equivalent O(1) and two equivalent O(2) atoms to form TiO4 tetrahedra that share corners with six equivalent Y(1)O6 octahedra and corners with six equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. 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 six equivalent Ti(1)O4 tetrahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with four equivalent Y(1)O6 octahedra. 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(1), and two equivalent Ti(2) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Y(1), one Ti(1), and one Ti(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.299
_cell_length_b   6.299
_cell_length_c   6.299
_cell_angle_alpha   122.165
_cell_angle_beta   117.674
_cell_angle_gamma   90.184
_symmetry_Int_Tables_number   1
_cell_volume   176.586
_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  0.500  0.500  1.0
  Y  Y1  1  0.500  0.500  0.000  1.0
  Ti  Ti2  1  0.377  0.127  0.250  1.0
  Ti  Ti3  1  0.623  0.873  0.750  1.0
  Ti  Ti4  1  0.000  0.500  0.000  1.0
  Ti  Ti5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.768  0.761  0.007  1.0
  O  O7  1  0.255  0.761  0.493  1.0
  O  O8  1  0.759  0.773  0.513  1.0
  O  O9  1  0.232  0.239  0.993  1.0
  O  O10  1  0.241  0.754  0.013  1.0
  O  O11  1  0.745  0.239  0.507  1.0
  O  O12  1  0.759  0.246  0.987  1.0
  O  O13  1  0.241  0.227  0.487  1.0
[/CIF]
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The material structure described by YTi2O4 is Spinel-like structured and 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(1)O4 tetrahedra, edges with two equivalent Y(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 two equivalent O(1) and two equivalent O(2) atoms to form TiO4 tetrahedra that share corners with six equivalent Y(1)O6 octahedra and corners with six equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. 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 six equivalent Ti(1)O4 tetrahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with four equivalent Y(1)O6 octahedra. 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(1), and two equivalent Ti(2) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Y(1), one Ti(1), and one Ti(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.299
_cell_length_b   6.299
_cell_length_c   6.299
_cell_angle_alpha   122.165
_cell_angle_beta   117.674
_cell_angle_gamma   90.184
_symmetry_Int_Tables_number   1
_cell_volume   176.586
_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  0.500  0.500  1.0
  Y  Y1  1  0.500  0.500  0.000  1.0
  Ti  Ti2  1  0.377  0.127  0.250  1.0
  Ti  Ti3  1  0.623  0.873  0.750  1.0
  Ti  Ti4  1  0.000  0.500  0.000  1.0
  Ti  Ti5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.768  0.761  0.007  1.0
  O  O7  1  0.255  0.761  0.493  1.0
  O  O8  1  0.759  0.773  0.513  1.0
  O  O9  1  0.232  0.239  0.993  1.0
  O  O10  1  0.241  0.754  0.013  1.0
  O  O11  1  0.745  0.239  0.507  1.0
  O  O12  1  0.759  0.246  0.987  1.0
  O  O13  1  0.241  0.227  0.487  1.0
[/CIF]
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