The material structure described by V3H5O8 crystallizes in the triclinic P1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the second V site, V(2) is bonded to one O(3), one O(7), two equivalent O(5), and two equivalent O(8) atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 12°. In the third V site, V(3) is bonded to one O(4), one O(8), two equivalent O(6), and two equivalent O(7) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(5) and one O(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(1) and one O(6) atom. In the fifth H site, H(5) is bonded in a linear geometry to one O(6) and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent V(1) and one H(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent V(1) and one H(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one V(1), one V(2), and one H(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to one V(1) and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent V(2) and one H(3) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent V(3), one H(4), and one H(5) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one V(2), two equivalent V(3), and one H(5) atom. In the eighth O site, O(8) is bonded to one V(3), two equivalent V(2), and one H(3) atom to form distorted corner-sharing OV3H tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3H5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.139
_cell_length_b   10.153
_cell_length_c   4.930
_cell_angle_alpha   77.349
_cell_angle_beta   102.767
_cell_angle_gamma   162.596
_symmetry_Int_Tables_number   1
_cell_volume   147.984
_cell_formula_units_Z   1
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  0.050  0.031  0.521  1.0
  V  V1  1  0.819  0.191  0.646  1.0
  V  V2  1  0.182  0.822  0.359  1.0
  H  H3  1  0.498  0.510  0.071  1.0
  H  H4  1  0.548  0.730  0.544  1.0
  H  H5  1  0.314  0.690  0.080  1.0
  H  H6  1  0.611  0.388  0.970  1.0
  H  H7  1  0.698  0.311  0.818  1.0
  O  O8  1  0.509  0.447  0.764  1.0
  O  O9  1  0.495  0.534  0.252  1.0
  O  O10  1  0.868  0.043  0.576  1.0
  O  O11  1  0.105  0.909  0.427  1.0
  O  O12  1  0.338  0.674  0.910  1.0
  O  O13  1  0.662  0.341  0.078  1.0
  O  O14  1  0.717  0.296  0.639  1.0
  O  O15  1  0.276  0.724  0.361  1.0
[/CIF]
.
The material structure described by V3H5O8 crystallizes in the triclinic P1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the second V site, V(2) is bonded to one O(3), one O(7), two equivalent O(5), and two equivalent O(8) atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 12°. In the third V site, V(3) is bonded to one O(4), one O(8), two equivalent O(6), and two equivalent O(7) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(5) and one O(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(1) and one O(6) atom. In the fifth H site, H(5) is bonded in a linear geometry to one O(6) and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent V(1) and one H(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent V(1) and one H(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one V(1), one V(2), and one H(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to one V(1) and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent V(2) and one H(3) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent V(3), one H(4), and one H(5) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one V(2), two equivalent V(3), and one H(5) atom. In the eighth O site, O(8) is bonded to one V(3), two equivalent V(2), and one H(3) atom to form distorted corner-sharing OV3H tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3H5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.139
_cell_length_b   10.153
_cell_length_c   4.930
_cell_angle_alpha   77.349
_cell_angle_beta   102.767
_cell_angle_gamma   162.596
_symmetry_Int_Tables_number   1
_cell_volume   147.984
_cell_formula_units_Z   1
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  0.050  0.031  0.521  1.0
  V  V1  1  0.819  0.191  0.646  1.0
  V  V2  1  0.182  0.822  0.359  1.0
  H  H3  1  0.498  0.510  0.071  1.0
  H  H4  1  0.548  0.730  0.544  1.0
  H  H5  1  0.314  0.690  0.080  1.0
  H  H6  1  0.611  0.388  0.970  1.0
  H  H7  1  0.698  0.311  0.818  1.0
  O  O8  1  0.509  0.447  0.764  1.0
  O  O9  1  0.495  0.534  0.252  1.0
  O  O10  1  0.868  0.043  0.576  1.0
  O  O11  1  0.105  0.909  0.427  1.0
  O  O12  1  0.338  0.674  0.910  1.0
  O  O13  1  0.662  0.341  0.078  1.0
  O  O14  1  0.717  0.296  0.639  1.0
  O  O15  1  0.276  0.724  0.361  1.0
[/CIF]
.