The structure described by HNbO3 crystallizes in the triclinic P1 space group. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(4), and one O(9) atom to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 29-43°. In the second Nb site, Nb(2) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 22-46°. In the third Nb site, Nb(3) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 24-46°. In the fourth Nb site, Nb(4) is bonded to one O(1), one O(11), one O(12), one O(2), one O(6), and one O(7) atom to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 22-44°. 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(8) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(11) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(12) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Nb(3) and one Nb(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Nb(2) and one Nb(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Nb(2) and one Nb(4) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Nb(2), one Nb(4), and one H(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Nb(2), one Nb(3), and one H(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Nb(1), one Nb(4), and one H(3) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Nb(3), one Nb(4), and one H(4) atom. is represented by the CIF file [CIF]
data_NbHO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.704
_cell_length_b   6.725
_cell_length_c   6.742
_cell_angle_alpha   109.232
_cell_angle_beta   109.293
_cell_angle_gamma   109.216
_symmetry_Int_Tables_number   1
_cell_volume   235.874
_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
  Nb  Nb0  1  0.532  0.529  0.542  1.0
  Nb  Nb1  1  0.507  0.028  0.028  1.0
  Nb  Nb2  1  0.037  0.519  0.031  1.0
  Nb  Nb3  1  0.987  0.023  0.516  1.0
  H  H4  1  0.052  0.732  0.681  1.0
  H  H5  1  0.688  0.049  0.741  1.0
  H  H6  1  0.303  0.051  0.357  1.0
  H  H7  1  0.743  0.689  0.047  1.0
  O  O8  1  0.091  0.301  0.793  1.0
  O  O9  1  0.712  0.817  0.522  1.0
  O  O10  1  0.511  0.700  0.806  1.0
  O  O11  1  0.204  0.498  0.291  1.0
  O  O12  1  0.292  0.813  0.099  1.0
  O  O13  1  0.795  0.081  0.284  1.0
  O  O14  1  0.174  0.880  0.699  1.0
  O  O15  1  0.701  0.176  0.880  1.0
  O  O16  1  0.812  0.521  0.708  1.0
  O  O17  1  0.502  0.296  0.203  1.0
  O  O18  1  0.294  0.175  0.477  1.0
  O  O19  1  0.878  0.695  0.174  1.0
[/CIF]
.
The structure described by HNbO3 crystallizes in the triclinic P1 space group. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(4), and one O(9) atom to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 29-43°. In the second Nb site, Nb(2) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 22-46°. In the third Nb site, Nb(3) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 24-46°. In the fourth Nb site, Nb(4) is bonded to one O(1), one O(11), one O(12), one O(2), one O(6), and one O(7) atom to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 22-44°. 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(8) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(11) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(12) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Nb(3) and one Nb(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Nb(2) and one Nb(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Nb(2) and one Nb(4) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Nb(2), one Nb(4), and one H(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Nb(2), one Nb(3), and one H(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Nb(1), one Nb(4), and one H(3) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Nb(3), one Nb(4), and one H(4) atom. is represented by the CIF file [CIF]
data_NbHO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.704
_cell_length_b   6.725
_cell_length_c   6.742
_cell_angle_alpha   109.232
_cell_angle_beta   109.293
_cell_angle_gamma   109.216
_symmetry_Int_Tables_number   1
_cell_volume   235.874
_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
  Nb  Nb0  1  0.532  0.529  0.542  1.0
  Nb  Nb1  1  0.507  0.028  0.028  1.0
  Nb  Nb2  1  0.037  0.519  0.031  1.0
  Nb  Nb3  1  0.987  0.023  0.516  1.0
  H  H4  1  0.052  0.732  0.681  1.0
  H  H5  1  0.688  0.049  0.741  1.0
  H  H6  1  0.303  0.051  0.357  1.0
  H  H7  1  0.743  0.689  0.047  1.0
  O  O8  1  0.091  0.301  0.793  1.0
  O  O9  1  0.712  0.817  0.522  1.0
  O  O10  1  0.511  0.700  0.806  1.0
  O  O11  1  0.204  0.498  0.291  1.0
  O  O12  1  0.292  0.813  0.099  1.0
  O  O13  1  0.795  0.081  0.284  1.0
  O  O14  1  0.174  0.880  0.699  1.0
  O  O15  1  0.701  0.176  0.880  1.0
  O  O16  1  0.812  0.521  0.708  1.0
  O  O17  1  0.502  0.296  0.203  1.0
  O  O18  1  0.294  0.175  0.477  1.0
  O  O19  1  0.878  0.695  0.174  1.0
[/CIF]
.