The structure described by HfTiO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic P2_12_12 space group. Hf(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form HfO6 octahedra that share corners with four equivalent Hf(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with four equivalent Hf(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, and edges with two equivalent Hf(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to one Hf(1) and two equivalent Ti(1) atoms. In the second O site, O(1) is bonded in a trigonal planar geometry to two equivalent Hf(1) and one Ti(1) atom. is represented by the CIF card [CIF]
data_HfTiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.753
_cell_length_b   5.103
_cell_length_c   5.663
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   137.365
_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
  Hf  Hf0  1  0.000  0.000  0.078  1.0
  Hf  Hf1  1  0.500  0.500  0.922  1.0
  Ti  Ti2  1  0.000  0.500  0.430  1.0
  Ti  Ti3  1  0.500  0.000  0.570  1.0
  O  O4  1  0.720  0.163  0.853  1.0
  O  O5  1  0.780  0.663  0.147  1.0
  O  O6  1  0.220  0.337  0.147  1.0
  O  O7  1  0.280  0.837  0.853  1.0
  O  O8  1  0.265  0.325  0.627  1.0
  O  O9  1  0.235  0.825  0.373  1.0
  O  O10  1  0.765  0.175  0.373  1.0
  O  O11  1  0.735  0.675  0.627  1.0
[/CIF]
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The structure described by HfTiO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic P2_12_12 space group. Hf(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form HfO6 octahedra that share corners with four equivalent Hf(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with four equivalent Hf(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, and edges with two equivalent Hf(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to one Hf(1) and two equivalent Ti(1) atoms. In the second O site, O(1) is bonded in a trigonal planar geometry to two equivalent Hf(1) and one Ti(1) atom. is represented by the CIF card [CIF]
data_HfTiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.753
_cell_length_b   5.103
_cell_length_c   5.663
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   137.365
_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
  Hf  Hf0  1  0.000  0.000  0.078  1.0
  Hf  Hf1  1  0.500  0.500  0.922  1.0
  Ti  Ti2  1  0.000  0.500  0.430  1.0
  Ti  Ti3  1  0.500  0.000  0.570  1.0
  O  O4  1  0.720  0.163  0.853  1.0
  O  O5  1  0.780  0.663  0.147  1.0
  O  O6  1  0.220  0.337  0.147  1.0
  O  O7  1  0.280  0.837  0.853  1.0
  O  O8  1  0.265  0.325  0.627  1.0
  O  O9  1  0.235  0.825  0.373  1.0
  O  O10  1  0.765  0.175  0.373  1.0
  O  O11  1  0.735  0.675  0.627  1.0
[/CIF]
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