The crystal structure described by H4NiO8V2(H2O)2 crystallizes in the monoclinic C2/c space group. The structure consists of eight water molecules inside a H4NiO8V2 framework. In the H4NiO8V2 framework, V(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), and three equivalent O(1) atoms. Ni(1) is bonded in an octahedral geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent H sites. In the first H site, H(3) is bonded in a distorted single-bond geometry to one O(4) atom. In the second H site, H(4) is bonded in a single-bond geometry to one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to three equivalent V(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one V(1) and one Ni(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one Ni(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one H(3), and one H(4) atom. is represented by the CIF file [CIF]
data_V2Ni(H4O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.384
_cell_length_b   8.384
_cell_length_c   6.922
_cell_angle_alpha   72.842
_cell_angle_beta   107.158
_cell_angle_gamma   108.278
_symmetry_Int_Tables_number   1
_cell_volume   430.331
_cell_formula_units_Z   2
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  0.134  0.925  0.694  1.0
  V  V1  1  0.925  0.134  0.806  1.0
  V  V2  1  0.866  0.075  0.306  1.0
  V  V3  1  0.075  0.866  0.194  1.0
  Ni  Ni4  1  0.000  0.500  0.000  1.0
  Ni  Ni5  1  0.500  0.000  0.500  1.0
  H  H6  1  0.621  0.229  0.967  1.0
  H  H7  1  0.229  0.621  0.533  1.0
  H  H8  1  0.379  0.771  0.033  1.0
  H  H9  1  0.771  0.379  0.467  1.0
  H  H10  1  0.436  0.194  0.824  1.0
  H  H11  1  0.194  0.436  0.676  1.0
  H  H12  1  0.564  0.806  0.176  1.0
  H  H13  1  0.806  0.564  0.324  1.0
  H  H14  1  0.466  0.232  0.151  1.0
  H  H15  1  0.232  0.466  0.349  1.0
  H  H16  1  0.534  0.768  0.849  1.0
  H  H17  1  0.768  0.534  0.651  1.0
  H  H18  1  0.516  0.325  0.336  1.0
  H  H19  1  0.325  0.516  0.164  1.0
  H  H20  1  0.484  0.675  0.664  1.0
  H  H21  1  0.675  0.484  0.836  1.0
  O  O22  1  0.106  0.989  0.924  1.0
  O  O23  1  0.989  0.106  0.576  1.0
  O  O24  1  0.894  0.011  0.076  1.0
  O  O25  1  0.011  0.894  0.424  1.0
  O  O26  1  0.028  0.338  0.830  1.0
  O  O27  1  0.338  0.028  0.670  1.0
  O  O28  1  0.972  0.662  0.170  1.0
  O  O29  1  0.662  0.972  0.330  1.0
  O  O30  1  0.863  0.281  0.179  1.0
  O  O31  1  0.281  0.863  0.321  1.0
  O  O32  1  0.137  0.719  0.821  1.0
  O  O33  1  0.719  0.137  0.679  1.0
  O  O34  1  0.449  0.217  0.293  1.0
  O  O35  1  0.217  0.449  0.207  1.0
  O  O36  1  0.551  0.783  0.707  1.0
  O  O37  1  0.783  0.551  0.793  1.0
  O  O38  1  0.513  0.267  0.921  1.0
  O  O39  1  0.267  0.513  0.579  1.0
  O  O40  1  0.487  0.733  0.079  1.0
  O  O41  1  0.733  0.487  0.421  1.0
[/CIF]
.
The crystal structure described by H4NiO8V2(H2O)2 crystallizes in the monoclinic C2/c space group. The structure consists of eight water molecules inside a H4NiO8V2 framework. In the H4NiO8V2 framework, V(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), and three equivalent O(1) atoms. Ni(1) is bonded in an octahedral geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent H sites. In the first H site, H(3) is bonded in a distorted single-bond geometry to one O(4) atom. In the second H site, H(4) is bonded in a single-bond geometry to one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to three equivalent V(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one V(1) and one Ni(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one Ni(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one H(3), and one H(4) atom. is represented by the CIF file [CIF]
data_V2Ni(H4O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.384
_cell_length_b   8.384
_cell_length_c   6.922
_cell_angle_alpha   72.842
_cell_angle_beta   107.158
_cell_angle_gamma   108.278
_symmetry_Int_Tables_number   1
_cell_volume   430.331
_cell_formula_units_Z   2
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  0.134  0.925  0.694  1.0
  V  V1  1  0.925  0.134  0.806  1.0
  V  V2  1  0.866  0.075  0.306  1.0
  V  V3  1  0.075  0.866  0.194  1.0
  Ni  Ni4  1  0.000  0.500  0.000  1.0
  Ni  Ni5  1  0.500  0.000  0.500  1.0
  H  H6  1  0.621  0.229  0.967  1.0
  H  H7  1  0.229  0.621  0.533  1.0
  H  H8  1  0.379  0.771  0.033  1.0
  H  H9  1  0.771  0.379  0.467  1.0
  H  H10  1  0.436  0.194  0.824  1.0
  H  H11  1  0.194  0.436  0.676  1.0
  H  H12  1  0.564  0.806  0.176  1.0
  H  H13  1  0.806  0.564  0.324  1.0
  H  H14  1  0.466  0.232  0.151  1.0
  H  H15  1  0.232  0.466  0.349  1.0
  H  H16  1  0.534  0.768  0.849  1.0
  H  H17  1  0.768  0.534  0.651  1.0
  H  H18  1  0.516  0.325  0.336  1.0
  H  H19  1  0.325  0.516  0.164  1.0
  H  H20  1  0.484  0.675  0.664  1.0
  H  H21  1  0.675  0.484  0.836  1.0
  O  O22  1  0.106  0.989  0.924  1.0
  O  O23  1  0.989  0.106  0.576  1.0
  O  O24  1  0.894  0.011  0.076  1.0
  O  O25  1  0.011  0.894  0.424  1.0
  O  O26  1  0.028  0.338  0.830  1.0
  O  O27  1  0.338  0.028  0.670  1.0
  O  O28  1  0.972  0.662  0.170  1.0
  O  O29  1  0.662  0.972  0.330  1.0
  O  O30  1  0.863  0.281  0.179  1.0
  O  O31  1  0.281  0.863  0.321  1.0
  O  O32  1  0.137  0.719  0.821  1.0
  O  O33  1  0.719  0.137  0.679  1.0
  O  O34  1  0.449  0.217  0.293  1.0
  O  O35  1  0.217  0.449  0.207  1.0
  O  O36  1  0.551  0.783  0.707  1.0
  O  O37  1  0.783  0.551  0.793  1.0
  O  O38  1  0.513  0.267  0.921  1.0
  O  O39  1  0.267  0.513  0.579  1.0
  O  O40  1  0.487  0.733  0.079  1.0
  O  O41  1  0.733  0.487  0.421  1.0
[/CIF]
.