The structure described by VO4H3 crystallizes in the tetragonal I4_1md space group. V(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one O(4) atom. In the second H site, H(2,3) is bonded in a single-bond geometry to one O(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent V(1) and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent V(1) and one H(2,3) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent V(1) and one H(2,3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent H(1) and one O(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VH3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.438
_cell_length_b   7.419
_cell_length_c   7.419
_cell_angle_alpha   90.000
_cell_angle_beta   60.085
_cell_angle_gamma   119.915
_symmetry_Int_Tables_number   1
_cell_volume   290.224
_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
  V  V0  1  0.487  0.993  0.506  1.0
  V  V1  1  0.487  0.494  0.506  1.0
  V  V2  1  0.987  0.494  0.007  1.0
  V  V3  1  0.987  0.494  0.506  1.0
  H  H4  1  0.248  0.908  0.332  1.0
  H  H5  1  0.248  0.340  0.920  1.0
  H  H6  1  0.668  0.334  0.916  1.0
  H  H7  1  0.807  0.904  0.346  1.0
  H  H8  1  0.248  0.340  0.332  1.0
  H  H9  1  0.248  0.908  0.920  1.0
  H  H10  1  0.748  0.080  0.660  1.0
  H  H11  1  0.748  0.668  0.092  1.0
  H  H12  1  0.307  0.654  0.096  1.0
  H  H13  1  0.168  0.084  0.666  1.0
  H  H14  1  0.748  0.668  0.660  1.0
  H  H15  1  0.748  0.080  0.092  1.0
  O  O16  1  0.239  0.812  0.436  1.0
  O  O17  1  0.239  0.427  0.824  1.0
  O  O18  1  0.854  0.427  0.823  1.0
  O  O19  1  0.621  0.811  0.439  1.0
  O  O20  1  0.239  0.427  0.436  1.0
  O  O21  1  0.239  0.812  0.824  1.0
  O  O22  1  0.739  0.176  0.573  1.0
  O  O23  1  0.739  0.564  0.188  1.0
  O  O24  1  0.121  0.561  0.189  1.0
  O  O25  1  0.354  0.177  0.573  1.0
  O  O26  1  0.739  0.564  0.573  1.0
  O  O27  1  0.739  0.176  0.188  1.0
  O  O28  1  0.251  0.034  0.125  1.0
  O  O29  1  0.251  0.217  0.125  1.0
  O  O30  1  0.751  0.875  0.966  1.0
  O  O31  1  0.751  0.875  0.783  1.0
[/CIF]
.
The structure described by VO4H3 crystallizes in the tetragonal I4_1md space group. V(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one O(4) atom. In the second H site, H(2,3) is bonded in a single-bond geometry to one O(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent V(1) and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent V(1) and one H(2,3) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent V(1) and one H(2,3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent H(1) and one O(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VH3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.438
_cell_length_b   7.419
_cell_length_c   7.419
_cell_angle_alpha   90.000
_cell_angle_beta   60.085
_cell_angle_gamma   119.915
_symmetry_Int_Tables_number   1
_cell_volume   290.224
_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
  V  V0  1  0.487  0.993  0.506  1.0
  V  V1  1  0.487  0.494  0.506  1.0
  V  V2  1  0.987  0.494  0.007  1.0
  V  V3  1  0.987  0.494  0.506  1.0
  H  H4  1  0.248  0.908  0.332  1.0
  H  H5  1  0.248  0.340  0.920  1.0
  H  H6  1  0.668  0.334  0.916  1.0
  H  H7  1  0.807  0.904  0.346  1.0
  H  H8  1  0.248  0.340  0.332  1.0
  H  H9  1  0.248  0.908  0.920  1.0
  H  H10  1  0.748  0.080  0.660  1.0
  H  H11  1  0.748  0.668  0.092  1.0
  H  H12  1  0.307  0.654  0.096  1.0
  H  H13  1  0.168  0.084  0.666  1.0
  H  H14  1  0.748  0.668  0.660  1.0
  H  H15  1  0.748  0.080  0.092  1.0
  O  O16  1  0.239  0.812  0.436  1.0
  O  O17  1  0.239  0.427  0.824  1.0
  O  O18  1  0.854  0.427  0.823  1.0
  O  O19  1  0.621  0.811  0.439  1.0
  O  O20  1  0.239  0.427  0.436  1.0
  O  O21  1  0.239  0.812  0.824  1.0
  O  O22  1  0.739  0.176  0.573  1.0
  O  O23  1  0.739  0.564  0.188  1.0
  O  O24  1  0.121  0.561  0.189  1.0
  O  O25  1  0.354  0.177  0.573  1.0
  O  O26  1  0.739  0.564  0.573  1.0
  O  O27  1  0.739  0.176  0.188  1.0
  O  O28  1  0.251  0.034  0.125  1.0
  O  O29  1  0.251  0.217  0.125  1.0
  O  O30  1  0.751  0.875  0.966  1.0
  O  O31  1  0.751  0.875  0.783  1.0
[/CIF]
.