The compound described by VHO3 crystallizes in the monoclinic P2_1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(7) atom. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(8) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(7) and one O(9) atom. In the second H site, H(2) is bonded in a linear geometry to one O(5) and one O(9) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(8) and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(2), and one V(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(1) and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(2) and one V(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one V(1), one V(2), one V(3), and one H(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one V(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one H(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one H(3) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one H(1), one H(2), and one H(3) atom. is represented by the CIF file [CIF]
data_VHO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.046
_cell_length_b   8.772
_cell_length_c   7.998
_cell_angle_alpha   90.000
_cell_angle_beta   105.062
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   341.859
_cell_formula_units_Z   6
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  0.476  0.441  0.183  1.0
  V  V1  1  0.524  0.941  0.817  1.0
  V  V2  1  0.527  0.553  0.818  1.0
  V  V3  1  0.473  0.053  0.182  1.0
  V  V4  1  0.943  0.247  0.075  1.0
  V  V5  1  0.057  0.747  0.925  1.0
  H  H6  1  0.096  0.157  0.592  1.0
  H  H7  1  0.837  0.243  0.435  1.0
  H  H8  1  0.088  0.340  0.583  1.0
  H  H9  1  0.904  0.657  0.408  1.0
  H  H10  1  0.163  0.743  0.565  1.0
  H  H11  1  0.912  0.840  0.417  1.0
  O  O12  1  0.678  0.406  0.003  1.0
  O  O13  1  0.322  0.906  0.997  1.0
  O  O14  1  0.326  0.589  0.000  1.0
  O  O15  1  0.674  0.089  1.000  1.0
  O  O16  1  0.162  0.394  0.230  1.0
  O  O17  1  0.838  0.894  0.770  1.0
  O  O18  1  0.842  0.600  0.770  1.0
  O  O19  1  0.158  0.100  0.230  1.0
  O  O20  1  0.643  0.246  0.258  1.0
  O  O21  1  0.357  0.746  0.742  1.0
  O  O22  1  0.119  0.246  0.931  1.0
  O  O23  1  0.881  0.746  0.069  1.0
  O  O24  1  0.649  0.549  0.341  1.0
  O  O25  1  0.351  0.049  0.659  1.0
  O  O26  1  0.356  0.444  0.661  1.0
  O  O27  1  0.644  0.944  0.339  1.0
  O  O28  1  0.963  0.247  0.561  1.0
  O  O29  1  0.037  0.747  0.439  1.0
[/CIF]
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The compound described by VHO3 crystallizes in the monoclinic P2_1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(7) atom. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(8) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(7) and one O(9) atom. In the second H site, H(2) is bonded in a linear geometry to one O(5) and one O(9) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(8) and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(2), and one V(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(1) and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(2) and one V(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one V(1), one V(2), one V(3), and one H(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one V(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one H(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one H(3) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one H(1), one H(2), and one H(3) atom. is represented by the CIF file [CIF]
data_VHO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.046
_cell_length_b   8.772
_cell_length_c   7.998
_cell_angle_alpha   90.000
_cell_angle_beta   105.062
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   341.859
_cell_formula_units_Z   6
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  0.476  0.441  0.183  1.0
  V  V1  1  0.524  0.941  0.817  1.0
  V  V2  1  0.527  0.553  0.818  1.0
  V  V3  1  0.473  0.053  0.182  1.0
  V  V4  1  0.943  0.247  0.075  1.0
  V  V5  1  0.057  0.747  0.925  1.0
  H  H6  1  0.096  0.157  0.592  1.0
  H  H7  1  0.837  0.243  0.435  1.0
  H  H8  1  0.088  0.340  0.583  1.0
  H  H9  1  0.904  0.657  0.408  1.0
  H  H10  1  0.163  0.743  0.565  1.0
  H  H11  1  0.912  0.840  0.417  1.0
  O  O12  1  0.678  0.406  0.003  1.0
  O  O13  1  0.322  0.906  0.997  1.0
  O  O14  1  0.326  0.589  0.000  1.0
  O  O15  1  0.674  0.089  1.000  1.0
  O  O16  1  0.162  0.394  0.230  1.0
  O  O17  1  0.838  0.894  0.770  1.0
  O  O18  1  0.842  0.600  0.770  1.0
  O  O19  1  0.158  0.100  0.230  1.0
  O  O20  1  0.643  0.246  0.258  1.0
  O  O21  1  0.357  0.746  0.742  1.0
  O  O22  1  0.119  0.246  0.931  1.0
  O  O23  1  0.881  0.746  0.069  1.0
  O  O24  1  0.649  0.549  0.341  1.0
  O  O25  1  0.351  0.049  0.659  1.0
  O  O26  1  0.356  0.444  0.661  1.0
  O  O27  1  0.644  0.944  0.339  1.0
  O  O28  1  0.963  0.247  0.561  1.0
  O  O29  1  0.037  0.747  0.439  1.0
[/CIF]
.