The material structure described by HfTiO4 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to one O(1), one O(12), one O(13), one O(15), one O(3), and one O(7) atom to form HfO6 octahedra that share corners with two equivalent Hf(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with four equivalent Hf(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the second Hf site, Hf(2) is bonded to one O(10), one O(12), one O(13), one O(3), one O(5), and one O(7) atom to form distorted HfO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with four equivalent Hf(1)O6 octahedra,  an edgeedge with one Hf(3)O6 octahedra, and  an edgeedge with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the third Hf site, Hf(3) is bonded to one O(10), one O(11), one O(15), one O(2), one O(7), and one O(8) atom to form distorted HfO6 octahedra that share corners with two equivalent Hf(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(3)O6 octahedra,  an edgeedge with one Hf(2)O6 octahedra, and  an edgeedge with one Hf(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. In the fourth Hf site, Hf(4) is bonded to one O(11), one O(14), one O(4), one O(6), one O(8), and one O(9) atom to form distorted HfO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra,  an edgeedge with one Hf(3)O6 octahedra, and  an edgeedge with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(13), one O(16), one O(4), one O(5), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Hf(2)O6 octahedra, corners with two equivalent Hf(4)O6 octahedra, corners with four equivalent Ti(4)O6 octahedra,  an edgeedge with one Hf(1)O6 octahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the second Ti site, Ti(2) is bonded to one O(11), one O(14), one O(16), one O(2), one O(4), and one O(6) atom to form distorted TiO6 octahedra that share corners with two equivalent Hf(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with four equivalent Hf(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. In the third Ti site, Ti(3) is bonded to one O(10), one O(14), one O(15), one O(2), one O(3), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent Hf(2)O6 octahedra, corners with two equivalent Hf(4)O6 octahedra, corners with four equivalent Hf(3)O6 octahedra,  an edgeedge with one Hf(1)O6 octahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(12), one O(16), one O(5), one O(6), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Hf(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra,  an edgeedge with one Hf(2)O6 octahedra, and  an edgeedge with one Hf(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Hf(1), one Ti(1), and one Ti(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Hf(3), one Ti(2), and one Ti(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Hf(1), one Hf(2), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Hf(4), one Ti(1), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Hf(2), one Ti(1), and one Ti(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Hf(4), one Ti(2), and one Ti(4) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Hf(1), one Hf(2), and one Hf(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Hf(3), one Hf(4), and one Ti(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Hf(4), one Ti(1), and one Ti(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Hf(2), one Hf(3), and one Ti(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Hf(3), one Hf(4), and one Ti(2) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Hf(1), one Hf(2), and one Ti(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Hf(1), one Hf(2), and one Ti(1) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Hf(4), one Ti(2), and one Ti(3) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Hf(1), one Hf(3), and one Ti(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Ti(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfTiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.771
_cell_length_b   5.685
_cell_length_c   10.175
_cell_angle_alpha   90.146
_cell_angle_beta   90.941
_cell_angle_gamma   90.056
_symmetry_Int_Tables_number   1
_cell_volume   275.919
_cell_formula_units_Z   4
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  0.002  0.328  0.121  1.0
  Hf  Hf1  1  0.499  0.821  0.122  1.0
  Hf  Hf2  1  0.501  0.182  0.379  1.0
  Hf  Hf3  1  0.499  0.818  0.628  1.0
  Ti  Ti4  1  1.000  0.681  0.872  1.0
  Ti  Ti5  1  0.002  0.327  0.628  1.0
  Ti  Ti6  1  0.997  0.672  0.378  1.0
  Ti  Ti7  1  0.502  0.187  0.871  1.0
  O  O8  1  0.246  0.387  0.954  1.0
  O  O9  1  0.217  0.390  0.470  1.0
  O  O10  1  0.225  0.609  0.219  1.0
  O  O11  1  0.207  0.610  0.714  1.0
  O  O12  1  0.258  0.884  0.952  1.0
  O  O13  1  0.273  0.122  0.709  1.0
  O  O14  1  0.281  0.107  0.208  1.0
  O  O15  1  0.266  0.882  0.457  1.0
  O  O16  1  0.732  0.883  0.797  1.0
  O  O17  1  0.743  0.886  0.295  1.0
  O  O18  1  0.737  0.115  0.549  1.0
  O  O19  1  0.710  0.114  0.033  1.0
  O  O20  1  0.788  0.614  0.031  1.0
  O  O21  1  0.778  0.607  0.535  1.0
  O  O22  1  0.774  0.397  0.288  1.0
  O  O23  1  0.764  0.380  0.787  1.0
[/CIF]
.
The material structure described by HfTiO4 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to one O(1), one O(12), one O(13), one O(15), one O(3), and one O(7) atom to form HfO6 octahedra that share corners with two equivalent Hf(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with four equivalent Hf(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the second Hf site, Hf(2) is bonded to one O(10), one O(12), one O(13), one O(3), one O(5), and one O(7) atom to form distorted HfO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with four equivalent Hf(1)O6 octahedra,  an edgeedge with one Hf(3)O6 octahedra, and  an edgeedge with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the third Hf site, Hf(3) is bonded to one O(10), one O(11), one O(15), one O(2), one O(7), and one O(8) atom to form distorted HfO6 octahedra that share corners with two equivalent Hf(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(3)O6 octahedra,  an edgeedge with one Hf(2)O6 octahedra, and  an edgeedge with one Hf(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. In the fourth Hf site, Hf(4) is bonded to one O(11), one O(14), one O(4), one O(6), one O(8), and one O(9) atom to form distorted HfO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra,  an edgeedge with one Hf(3)O6 octahedra, and  an edgeedge with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(13), one O(16), one O(4), one O(5), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Hf(2)O6 octahedra, corners with two equivalent Hf(4)O6 octahedra, corners with four equivalent Ti(4)O6 octahedra,  an edgeedge with one Hf(1)O6 octahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the second Ti site, Ti(2) is bonded to one O(11), one O(14), one O(16), one O(2), one O(4), and one O(6) atom to form distorted TiO6 octahedra that share corners with two equivalent Hf(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with four equivalent Hf(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. In the third Ti site, Ti(3) is bonded to one O(10), one O(14), one O(15), one O(2), one O(3), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent Hf(2)O6 octahedra, corners with two equivalent Hf(4)O6 octahedra, corners with four equivalent Hf(3)O6 octahedra,  an edgeedge with one Hf(1)O6 octahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(12), one O(16), one O(5), one O(6), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Hf(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra,  an edgeedge with one Hf(2)O6 octahedra, and  an edgeedge with one Hf(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Hf(1), one Ti(1), and one Ti(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Hf(3), one Ti(2), and one Ti(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Hf(1), one Hf(2), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Hf(4), one Ti(1), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Hf(2), one Ti(1), and one Ti(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Hf(4), one Ti(2), and one Ti(4) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Hf(1), one Hf(2), and one Hf(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Hf(3), one Hf(4), and one Ti(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Hf(4), one Ti(1), and one Ti(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Hf(2), one Hf(3), and one Ti(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Hf(3), one Hf(4), and one Ti(2) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Hf(1), one Hf(2), and one Ti(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Hf(1), one Hf(2), and one Ti(1) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Hf(4), one Ti(2), and one Ti(3) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Hf(1), one Hf(3), and one Ti(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Ti(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfTiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.771
_cell_length_b   5.685
_cell_length_c   10.175
_cell_angle_alpha   90.146
_cell_angle_beta   90.941
_cell_angle_gamma   90.056
_symmetry_Int_Tables_number   1
_cell_volume   275.919
_cell_formula_units_Z   4
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  0.002  0.328  0.121  1.0
  Hf  Hf1  1  0.499  0.821  0.122  1.0
  Hf  Hf2  1  0.501  0.182  0.379  1.0
  Hf  Hf3  1  0.499  0.818  0.628  1.0
  Ti  Ti4  1  1.000  0.681  0.872  1.0
  Ti  Ti5  1  0.002  0.327  0.628  1.0
  Ti  Ti6  1  0.997  0.672  0.378  1.0
  Ti  Ti7  1  0.502  0.187  0.871  1.0
  O  O8  1  0.246  0.387  0.954  1.0
  O  O9  1  0.217  0.390  0.470  1.0
  O  O10  1  0.225  0.609  0.219  1.0
  O  O11  1  0.207  0.610  0.714  1.0
  O  O12  1  0.258  0.884  0.952  1.0
  O  O13  1  0.273  0.122  0.709  1.0
  O  O14  1  0.281  0.107  0.208  1.0
  O  O15  1  0.266  0.882  0.457  1.0
  O  O16  1  0.732  0.883  0.797  1.0
  O  O17  1  0.743  0.886  0.295  1.0
  O  O18  1  0.737  0.115  0.549  1.0
  O  O19  1  0.710  0.114  0.033  1.0
  O  O20  1  0.788  0.614  0.031  1.0
  O  O21  1  0.778  0.607  0.535  1.0
  O  O22  1  0.774  0.397  0.288  1.0
  O  O23  1  0.764  0.380  0.787  1.0
[/CIF]
.