The crystal structure described by V6H4O13 crystallizes in the monoclinic Cm space group. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(7), one O(8), 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 2-30°. In the second V site, V(2) is bonded to one O(10), one O(2), one O(7), one O(9), and two equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 2-27°. In the third V site, V(3) is bonded to one O(12), one O(13), one O(5), one O(8), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 17-23°. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(6), one O(9), and two equivalent O(4) atoms. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(3), one O(6), and two equivalent O(5) atoms. In the sixth V site, V(6) is bonded to one O(11), one O(13), one O(4), one O(5), and two equivalent O(6) atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 17-29°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(11) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one V(1), two equivalent V(2), and one H(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one V(2) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a T-shaped geometry to one V(5) and two equivalent V(3) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one V(6), two equivalent V(4), and one H(2) atom. In the fifth O site, O(5) is bonded to one V(3), one V(6), and two equivalent V(5) atoms to form a mixture of edge and corner-sharing OV4 trigonal pyramids. In the sixth O site, O(6) is bonded to one V(4), one V(5), and two equivalent V(6) atoms to form a mixture of distorted edge and corner-sharing OV4 tetrahedra. In the seventh O site, O(7) is bonded in a linear geometry to one V(1) and one V(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one H(3) atom. In the ninth O site, O(9) is bonded in a linear geometry to one V(2) and one V(4) atom. In the tenth O site, O(10) is bonded in a linear geometry to one V(2) and one V(5) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one V(1), one V(6), and one H(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one V(3), one V(4), and one V(5) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one V(3), one V(4), and one V(6) atom. is represented by the CIF file [CIF]
data_V6H4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.510
_cell_length_b   6.510
_cell_length_c   10.425
_cell_angle_alpha   79.714
_cell_angle_beta   100.286
_cell_angle_gamma   144.931
_symmetry_Int_Tables_number   1
_cell_volume   249.371
_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  0.650  0.350  0.998  1.0
  V  V1  1  0.352  0.648  0.004  1.0
  V  V2  1  0.590  0.410  0.609  1.0
  V  V3  1  0.407  0.593  0.365  1.0
  V  V4  1  0.287  0.713  0.633  1.0
  V  V5  1  0.718  0.282  0.387  1.0
  H  H6  1  0.810  0.190  0.877  1.0
  H  H7  1  0.925  0.075  0.495  1.0
  H  H8  1  0.517  0.483  0.804  1.0
  H  H9  1  0.582  0.418  0.194  1.0
  O  O10  1  0.819  0.181  0.973  1.0
  O  O11  1  0.193  0.807  0.005  1.0
  O  O12  1  0.123  0.877  0.616  1.0
  O  O13  1  0.895  0.105  0.401  1.0
  O  O14  1  0.757  0.243  0.595  1.0
  O  O15  1  0.255  0.745  0.415  1.0
  O  O16  1  0.492  0.508  0.004  1.0
  O  O17  1  0.596  0.404  0.803  1.0
  O  O18  1  0.384  0.616  0.199  1.0
  O  O19  1  0.326  0.674  0.799  1.0
  O  O20  1  0.662  0.338  0.199  1.0
  O  O21  1  0.436  0.564  0.582  1.0
  O  O22  1  0.566  0.434  0.422  1.0
[/CIF]
.
The crystal structure described by V6H4O13 crystallizes in the monoclinic Cm space group. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(7), one O(8), 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 2-30°. In the second V site, V(2) is bonded to one O(10), one O(2), one O(7), one O(9), and two equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 2-27°. In the third V site, V(3) is bonded to one O(12), one O(13), one O(5), one O(8), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 17-23°. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(6), one O(9), and two equivalent O(4) atoms. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(3), one O(6), and two equivalent O(5) atoms. In the sixth V site, V(6) is bonded to one O(11), one O(13), one O(4), one O(5), and two equivalent O(6) atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 17-29°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(11) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one V(1), two equivalent V(2), and one H(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one V(2) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a T-shaped geometry to one V(5) and two equivalent V(3) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one V(6), two equivalent V(4), and one H(2) atom. In the fifth O site, O(5) is bonded to one V(3), one V(6), and two equivalent V(5) atoms to form a mixture of edge and corner-sharing OV4 trigonal pyramids. In the sixth O site, O(6) is bonded to one V(4), one V(5), and two equivalent V(6) atoms to form a mixture of distorted edge and corner-sharing OV4 tetrahedra. In the seventh O site, O(7) is bonded in a linear geometry to one V(1) and one V(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one H(3) atom. In the ninth O site, O(9) is bonded in a linear geometry to one V(2) and one V(4) atom. In the tenth O site, O(10) is bonded in a linear geometry to one V(2) and one V(5) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one V(1), one V(6), and one H(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one V(3), one V(4), and one V(5) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one V(3), one V(4), and one V(6) atom. is represented by the CIF file [CIF]
data_V6H4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.510
_cell_length_b   6.510
_cell_length_c   10.425
_cell_angle_alpha   79.714
_cell_angle_beta   100.286
_cell_angle_gamma   144.931
_symmetry_Int_Tables_number   1
_cell_volume   249.371
_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  0.650  0.350  0.998  1.0
  V  V1  1  0.352  0.648  0.004  1.0
  V  V2  1  0.590  0.410  0.609  1.0
  V  V3  1  0.407  0.593  0.365  1.0
  V  V4  1  0.287  0.713  0.633  1.0
  V  V5  1  0.718  0.282  0.387  1.0
  H  H6  1  0.810  0.190  0.877  1.0
  H  H7  1  0.925  0.075  0.495  1.0
  H  H8  1  0.517  0.483  0.804  1.0
  H  H9  1  0.582  0.418  0.194  1.0
  O  O10  1  0.819  0.181  0.973  1.0
  O  O11  1  0.193  0.807  0.005  1.0
  O  O12  1  0.123  0.877  0.616  1.0
  O  O13  1  0.895  0.105  0.401  1.0
  O  O14  1  0.757  0.243  0.595  1.0
  O  O15  1  0.255  0.745  0.415  1.0
  O  O16  1  0.492  0.508  0.004  1.0
  O  O17  1  0.596  0.404  0.803  1.0
  O  O18  1  0.384  0.616  0.199  1.0
  O  O19  1  0.326  0.674  0.799  1.0
  O  O20  1  0.662  0.338  0.199  1.0
  O  O21  1  0.436  0.564  0.582  1.0
  O  O22  1  0.566  0.434  0.422  1.0
[/CIF]
.