The material structure described by YTi2O4 crystallizes in the tetragonal I4_1/a space group. Y(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Ti(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to two equivalent Y(1) and two equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OY2Ti2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.474
_cell_length_b   6.474
_cell_length_c   6.474
_cell_angle_alpha   126.535
_cell_angle_beta   126.535
_cell_angle_gamma   79.011
_symmetry_Int_Tables_number   1
_cell_volume   169.433
_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  0.750  0.250  0.500  1.0
  Ti  Ti2  1  0.375  0.125  0.750  1.0
  Ti  Ti3  1  0.375  0.625  0.250  1.0
  Ti  Ti4  1  0.875  0.625  0.250  1.0
  Ti  Ti5  1  0.375  0.625  0.750  1.0
  O  O6  1  0.145  0.610  0.861  1.0
  O  O7  1  0.749  0.283  0.139  1.0
  O  O8  1  0.605  0.640  0.639  1.0
  O  O9  1  0.001  0.967  0.361  1.0
  O  O10  1  0.360  0.999  0.966  1.0
  O  O11  1  0.033  0.395  0.034  1.0
  O  O12  1  0.717  0.855  0.466  1.0
  O  O13  1  0.390  0.251  0.534  1.0
[/CIF]
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The material structure described by YTi2O4 crystallizes in the tetragonal I4_1/a space group. Y(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Ti(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to two equivalent Y(1) and two equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OY2Ti2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.474
_cell_length_b   6.474
_cell_length_c   6.474
_cell_angle_alpha   126.535
_cell_angle_beta   126.535
_cell_angle_gamma   79.011
_symmetry_Int_Tables_number   1
_cell_volume   169.433
_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  0.750  0.250  0.500  1.0
  Ti  Ti2  1  0.375  0.125  0.750  1.0
  Ti  Ti3  1  0.375  0.625  0.250  1.0
  Ti  Ti4  1  0.875  0.625  0.250  1.0
  Ti  Ti5  1  0.375  0.625  0.750  1.0
  O  O6  1  0.145  0.610  0.861  1.0
  O  O7  1  0.749  0.283  0.139  1.0
  O  O8  1  0.605  0.640  0.639  1.0
  O  O9  1  0.001  0.967  0.361  1.0
  O  O10  1  0.360  0.999  0.966  1.0
  O  O11  1  0.033  0.395  0.034  1.0
  O  O12  1  0.717  0.855  0.466  1.0
  O  O13  1  0.390  0.251  0.534  1.0
[/CIF]
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