The structure described by H2Ti3O7 crystallizes in the triclinic P1 space group. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(3), one O(9), and two equivalent O(14) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(4), and two equivalent O(13) atoms. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(3), one O(5), and two equivalent O(12) atoms. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(4), one O(6), and two equivalent O(11) atoms. In the fifth Ti site, Ti(5) is bonded to one O(1), one O(13), one O(5), one O(7), and two equivalent O(10) atoms to form distorted corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 19°. In the sixth Ti site, Ti(6) is bonded to one O(14), one O(2), one O(6), one O(8), and two equivalent O(9) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 26°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(7) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(8) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(3) and one O(8) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one Ti(5) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(2) and one Ti(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ti(1), one Ti(3), and one H(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ti(2) and one Ti(4) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Ti(3) and one Ti(5) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Ti(4) and one Ti(6) atom. In the seventh O site, O(7) is bonded in a distorted L-shaped geometry to one Ti(5), one H(1), and one H(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ti(6), one H(3), and one H(4) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent Ti(6) atoms. In the tenth O site, O(10) is bonded in a T-shaped geometry to one Ti(2) and two equivalent Ti(5) atoms. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(3), and two equivalent Ti(4) atoms. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ti(2), one Ti(4), and two equivalent Ti(3) atoms. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Ti(3), one Ti(5), and two equivalent Ti(2) atoms. In the fourteenth O site, O(14) is bonded to one Ti(4), one Ti(6), and two equivalent Ti(1) atoms to form distorted corner-sharing OTi4 trigonal pyramids. is represented by the CIF card [CIF]
data_Ti3H2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.797
_cell_length_b   8.410
_cell_length_c   9.402
_cell_angle_alpha   99.759
_cell_angle_beta   89.985
_cell_angle_gamma   102.726
_symmetry_Int_Tables_number   1
_cell_volume   288.395
_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
  Ti  Ti0  1  0.222  0.442  0.207  1.0
  Ti  Ti1  1  0.782  0.563  0.794  1.0
  Ti  Ti2  1  0.173  0.344  0.512  1.0
  Ti  Ti3  1  0.822  0.649  0.484  1.0
  Ti  Ti4  1  0.151  0.277  0.819  1.0
  Ti  Ti5  1  0.867  0.737  0.185  1.0
  H  H6  1  0.167  0.944  0.839  1.0
  H  H7  1  0.800  0.940  0.787  1.0
  H  H8  1  0.967  0.005  0.056  1.0
  H  H9  1  0.043  0.087  0.227  1.0
  O  O10  1  0.163  0.325  0.034  1.0
  O  O11  1  0.842  0.681  0.966  1.0
  O  O12  1  0.134  0.263  0.319  1.0
  O  O13  1  0.857  0.732  0.679  1.0
  O  O14  1  0.094  0.182  0.624  1.0
  O  O15  1  0.908  0.819  0.382  1.0
  O  O16  1  0.988  0.013  0.857  1.0
  O  O17  1  0.985  0.979  0.153  1.0
  O  O18  1  0.341  0.683  0.173  1.0
  O  O19  1  0.662  0.317  0.829  1.0
  O  O20  1  0.289  0.582  0.457  1.0
  O  O21  1  0.707  0.413  0.543  1.0
  O  O22  1  0.249  0.495  0.760  1.0
  O  O23  1  0.754  0.508  0.243  1.0
[/CIF]
.
The structure described by H2Ti3O7 crystallizes in the triclinic P1 space group. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(3), one O(9), and two equivalent O(14) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(4), and two equivalent O(13) atoms. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(3), one O(5), and two equivalent O(12) atoms. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(4), one O(6), and two equivalent O(11) atoms. In the fifth Ti site, Ti(5) is bonded to one O(1), one O(13), one O(5), one O(7), and two equivalent O(10) atoms to form distorted corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 19°. In the sixth Ti site, Ti(6) is bonded to one O(14), one O(2), one O(6), one O(8), and two equivalent O(9) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 26°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(7) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(8) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(3) and one O(8) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one Ti(5) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(2) and one Ti(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ti(1), one Ti(3), and one H(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ti(2) and one Ti(4) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Ti(3) and one Ti(5) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Ti(4) and one Ti(6) atom. In the seventh O site, O(7) is bonded in a distorted L-shaped geometry to one Ti(5), one H(1), and one H(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ti(6), one H(3), and one H(4) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent Ti(6) atoms. In the tenth O site, O(10) is bonded in a T-shaped geometry to one Ti(2) and two equivalent Ti(5) atoms. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(3), and two equivalent Ti(4) atoms. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ti(2), one Ti(4), and two equivalent Ti(3) atoms. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Ti(3), one Ti(5), and two equivalent Ti(2) atoms. In the fourteenth O site, O(14) is bonded to one Ti(4), one Ti(6), and two equivalent Ti(1) atoms to form distorted corner-sharing OTi4 trigonal pyramids. is represented by the CIF card [CIF]
data_Ti3H2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.797
_cell_length_b   8.410
_cell_length_c   9.402
_cell_angle_alpha   99.759
_cell_angle_beta   89.985
_cell_angle_gamma   102.726
_symmetry_Int_Tables_number   1
_cell_volume   288.395
_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
  Ti  Ti0  1  0.222  0.442  0.207  1.0
  Ti  Ti1  1  0.782  0.563  0.794  1.0
  Ti  Ti2  1  0.173  0.344  0.512  1.0
  Ti  Ti3  1  0.822  0.649  0.484  1.0
  Ti  Ti4  1  0.151  0.277  0.819  1.0
  Ti  Ti5  1  0.867  0.737  0.185  1.0
  H  H6  1  0.167  0.944  0.839  1.0
  H  H7  1  0.800  0.940  0.787  1.0
  H  H8  1  0.967  0.005  0.056  1.0
  H  H9  1  0.043  0.087  0.227  1.0
  O  O10  1  0.163  0.325  0.034  1.0
  O  O11  1  0.842  0.681  0.966  1.0
  O  O12  1  0.134  0.263  0.319  1.0
  O  O13  1  0.857  0.732  0.679  1.0
  O  O14  1  0.094  0.182  0.624  1.0
  O  O15  1  0.908  0.819  0.382  1.0
  O  O16  1  0.988  0.013  0.857  1.0
  O  O17  1  0.985  0.979  0.153  1.0
  O  O18  1  0.341  0.683  0.173  1.0
  O  O19  1  0.662  0.317  0.829  1.0
  O  O20  1  0.289  0.582  0.457  1.0
  O  O21  1  0.707  0.413  0.543  1.0
  O  O22  1  0.249  0.495  0.760  1.0
  O  O23  1  0.754  0.508  0.243  1.0
[/CIF]
.