The material described by V2H3O5 crystallizes in the monoclinic Cm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra are not tilted. In the second V site, V(2) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) and one O(5) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one O(2) and one O(3) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(3) and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one V(1) and one V(2) atom. In the second O site, O(2) is bonded to two equivalent V(1), one H(1), and one H(2) atom to form distorted OV2H2 tetrahedra that share  a cornercorner with one O(3)V2H2 tetrahedra, corners with two equivalent O(2)V2H2 tetrahedra, corners with three equivalent O(5)V3H tetrahedra, and  an edgeedge with one O(5)V3H tetrahedra. In the third O site, O(3) is bonded to two equivalent V(2), one H(2), and one H(3) atom to form distorted OV2H2 tetrahedra that share  a cornercorner with one O(2)V2H2 tetrahedra, corners with two equivalent O(3)V2H2 tetrahedra, and corners with two equivalent O(5)V3H tetrahedra. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one V(1), two equivalent V(2), and one H(3) atom. In the fifth O site, O(5) is bonded to one V(2), two equivalent V(1), and one H(1) atom to form distorted OV3H tetrahedra that share corners with two equivalent O(3)V2H2 tetrahedra, corners with two equivalent O(5)V3H tetrahedra, corners with three equivalent O(2)V2H2 tetrahedra, and  an edgeedge with one O(2)V2H2 tetrahedra. is represented by the CIF card [CIF]
data_V2H3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.248
_cell_length_b   6.248
_cell_length_c   4.766
_cell_angle_alpha   80.893
_cell_angle_beta   80.893
_cell_angle_gamma   27.901
_symmetry_Int_Tables_number   1
_cell_volume   85.903
_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  0.140  0.140  0.588  1.0
  V  V1  1  0.867  0.867  0.401  1.0
  H  H2  1  0.643  0.643  0.043  1.0
  H  H3  1  0.473  0.473  0.022  1.0
  H  H4  1  0.331  0.331  0.859  1.0
  O  O5  1  0.998  0.998  0.492  1.0
  O  O6  1  0.601  0.601  0.881  1.0
  O  O7  1  0.392  0.392  0.120  1.0
  O  O8  1  0.304  0.304  0.668  1.0
  O  O9  1  0.700  0.700  0.354  1.0
[/CIF]
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The material described by V2H3O5 crystallizes in the monoclinic Cm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra are not tilted. In the second V site, V(2) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) and one O(5) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one O(2) and one O(3) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(3) and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one V(1) and one V(2) atom. In the second O site, O(2) is bonded to two equivalent V(1), one H(1), and one H(2) atom to form distorted OV2H2 tetrahedra that share  a cornercorner with one O(3)V2H2 tetrahedra, corners with two equivalent O(2)V2H2 tetrahedra, corners with three equivalent O(5)V3H tetrahedra, and  an edgeedge with one O(5)V3H tetrahedra. In the third O site, O(3) is bonded to two equivalent V(2), one H(2), and one H(3) atom to form distorted OV2H2 tetrahedra that share  a cornercorner with one O(2)V2H2 tetrahedra, corners with two equivalent O(3)V2H2 tetrahedra, and corners with two equivalent O(5)V3H tetrahedra. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one V(1), two equivalent V(2), and one H(3) atom. In the fifth O site, O(5) is bonded to one V(2), two equivalent V(1), and one H(1) atom to form distorted OV3H tetrahedra that share corners with two equivalent O(3)V2H2 tetrahedra, corners with two equivalent O(5)V3H tetrahedra, corners with three equivalent O(2)V2H2 tetrahedra, and  an edgeedge with one O(2)V2H2 tetrahedra. is represented by the CIF card [CIF]
data_V2H3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.248
_cell_length_b   6.248
_cell_length_c   4.766
_cell_angle_alpha   80.893
_cell_angle_beta   80.893
_cell_angle_gamma   27.901
_symmetry_Int_Tables_number   1
_cell_volume   85.903
_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  0.140  0.140  0.588  1.0
  V  V1  1  0.867  0.867  0.401  1.0
  H  H2  1  0.643  0.643  0.043  1.0
  H  H3  1  0.473  0.473  0.022  1.0
  H  H4  1  0.331  0.331  0.859  1.0
  O  O5  1  0.998  0.998  0.492  1.0
  O  O6  1  0.601  0.601  0.881  1.0
  O  O7  1  0.392  0.392  0.120  1.0
  O  O8  1  0.304  0.304  0.668  1.0
  O  O9  1  0.700  0.700  0.354  1.0
[/CIF]
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