The crystal structure described by HTiNbO5 crystallizes in the orthorhombic Pnma space group. Ti(1) is bonded to one O(1), one O(2), one O(5), and three equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 31°. Nb(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms. H(1) is bonded in a linear geometry to one O(1) and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(1), one Nb(1), and one H(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Ti(1) and one Nb(1) atom. In the third O site, O(3) is bonded to three equivalent Ti(1) and one Nb(1) atom to form a mixture of distorted corner and edge-sharing OTi3Nb trigonal pyramids. In the fourth O site, O(4) is bonded in a linear geometry to one Nb(1) and one H(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Nb(1) atoms. is represented by the CIF card [CIF]
data_TiNbHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.818
_cell_length_b   6.581
_cell_length_c   16.934
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   425.464
_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
  Ti  Ti0  1  0.250  0.318  0.966  1.0
  Ti  Ti1  1  0.250  0.818  0.534  1.0
  Ti  Ti2  1  0.750  0.682  0.034  1.0
  Ti  Ti3  1  0.750  0.182  0.466  1.0
  Nb  Nb4  1  0.250  0.791  0.878  1.0
  Nb  Nb5  1  0.250  0.291  0.622  1.0
  Nb  Nb6  1  0.750  0.209  0.122  1.0
  Nb  Nb7  1  0.750  0.709  0.378  1.0
  H  H8  1  0.250  0.404  0.812  1.0
  H  H9  1  0.250  0.904  0.688  1.0
  H  H10  1  0.750  0.596  0.188  1.0
  H  H11  1  0.750  0.096  0.312  1.0
  O  O12  1  0.250  0.470  0.867  1.0
  O  O13  1  0.250  0.970  0.633  1.0
  O  O14  1  0.750  0.530  0.133  1.0
  O  O15  1  0.750  0.030  0.367  1.0
  O  O16  1  0.250  0.072  0.923  1.0
  O  O17  1  0.250  0.572  0.577  1.0
  O  O18  1  0.750  0.928  0.077  1.0
  O  O19  1  0.750  0.428  0.423  1.0
  O  O20  1  0.250  0.640  0.008  1.0
  O  O21  1  0.250  0.140  0.492  1.0
  O  O22  1  0.750  0.360  0.992  1.0
  O  O23  1  0.750  0.860  0.508  1.0
  O  O24  1  0.250  0.835  0.775  1.0
  O  O25  1  0.250  0.335  0.725  1.0
  O  O26  1  0.750  0.165  0.225  1.0
  O  O27  1  0.750  0.665  0.275  1.0
  O  O28  1  0.250  0.235  0.087  1.0
  O  O29  1  0.250  0.735  0.413  1.0
  O  O30  1  0.750  0.765  0.913  1.0
  O  O31  1  0.750  0.265  0.587  1.0
[/CIF]
.
The crystal structure described by HTiNbO5 crystallizes in the orthorhombic Pnma space group. Ti(1) is bonded to one O(1), one O(2), one O(5), and three equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 31°. Nb(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms. H(1) is bonded in a linear geometry to one O(1) and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(1), one Nb(1), and one H(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Ti(1) and one Nb(1) atom. In the third O site, O(3) is bonded to three equivalent Ti(1) and one Nb(1) atom to form a mixture of distorted corner and edge-sharing OTi3Nb trigonal pyramids. In the fourth O site, O(4) is bonded in a linear geometry to one Nb(1) and one H(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Nb(1) atoms. is represented by the CIF card [CIF]
data_TiNbHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.818
_cell_length_b   6.581
_cell_length_c   16.934
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   425.464
_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
  Ti  Ti0  1  0.250  0.318  0.966  1.0
  Ti  Ti1  1  0.250  0.818  0.534  1.0
  Ti  Ti2  1  0.750  0.682  0.034  1.0
  Ti  Ti3  1  0.750  0.182  0.466  1.0
  Nb  Nb4  1  0.250  0.791  0.878  1.0
  Nb  Nb5  1  0.250  0.291  0.622  1.0
  Nb  Nb6  1  0.750  0.209  0.122  1.0
  Nb  Nb7  1  0.750  0.709  0.378  1.0
  H  H8  1  0.250  0.404  0.812  1.0
  H  H9  1  0.250  0.904  0.688  1.0
  H  H10  1  0.750  0.596  0.188  1.0
  H  H11  1  0.750  0.096  0.312  1.0
  O  O12  1  0.250  0.470  0.867  1.0
  O  O13  1  0.250  0.970  0.633  1.0
  O  O14  1  0.750  0.530  0.133  1.0
  O  O15  1  0.750  0.030  0.367  1.0
  O  O16  1  0.250  0.072  0.923  1.0
  O  O17  1  0.250  0.572  0.577  1.0
  O  O18  1  0.750  0.928  0.077  1.0
  O  O19  1  0.750  0.428  0.423  1.0
  O  O20  1  0.250  0.640  0.008  1.0
  O  O21  1  0.250  0.140  0.492  1.0
  O  O22  1  0.750  0.360  0.992  1.0
  O  O23  1  0.750  0.860  0.508  1.0
  O  O24  1  0.250  0.835  0.775  1.0
  O  O25  1  0.250  0.335  0.725  1.0
  O  O26  1  0.750  0.165  0.225  1.0
  O  O27  1  0.750  0.665  0.275  1.0
  O  O28  1  0.250  0.235  0.087  1.0
  O  O29  1  0.250  0.735  0.413  1.0
  O  O30  1  0.750  0.765  0.913  1.0
  O  O31  1  0.750  0.265  0.587  1.0
[/CIF]
.