The material described by V2Ni(H2O5)2(H2)2 crystallizes in the monoclinic C2/c space group. The structure consists of eight 1333-74-0 molecules inside a V2Ni(H2O5)2 framework. In the V2Ni(H2O5)2 framework, V(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), 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(2) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(3) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to three equivalent V(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one Ni(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one V(1), one Ni(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one Ni(1), and one O(5) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one H(3) and one O(4) atom. is represented by the CIF file [CIF]
data_V2Ni(H4O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.001
_cell_length_b   8.001
_cell_length_c   7.162
_cell_angle_alpha   71.813
_cell_angle_beta   71.813
_cell_angle_gamma   69.837
_symmetry_Int_Tables_number   1
_cell_volume   398.018
_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  0.880  0.897  0.207  1.0
  V  V1  1  0.103  0.120  0.293  1.0
  V  V2  1  0.120  0.103  0.793  1.0
  V  V3  1  0.897  0.880  0.707  1.0
  Ni  Ni4  1  0.000  0.500  0.500  1.0
  Ni  Ni5  1  0.500  0.000  0.000  1.0
  H  H6  1  0.438  0.309  0.311  1.0
  H  H7  1  0.691  0.562  0.189  1.0
  H  H8  1  0.562  0.691  0.689  1.0
  H  H9  1  0.309  0.438  0.811  1.0
  H  H10  1  0.658  0.716  0.401  1.0
  H  H11  1  0.284  0.342  0.099  1.0
  H  H12  1  0.342  0.284  0.599  1.0
  H  H13  1  0.716  0.658  0.901  1.0
  H  H14  1  0.672  0.161  0.478  1.0
  H  H15  1  0.839  0.328  0.022  1.0
  H  H16  1  0.328  0.839  0.522  1.0
  H  H17  1  0.161  0.672  0.978  1.0
  H  H18  1  0.339  0.521  0.747  1.0
  H  H19  1  0.479  0.661  0.753  1.0
  H  H20  1  0.661  0.479  0.253  1.0
  H  H21  1  0.521  0.339  0.247  1.0
  O  O22  1  0.885  0.989  0.423  1.0
  O  O23  1  0.011  0.115  0.077  1.0
  O  O24  1  0.115  0.011  0.577  1.0
  O  O25  1  0.989  0.885  0.923  1.0
  O  O26  1  0.996  0.327  0.339  1.0
  O  O27  1  0.673  0.004  0.161  1.0
  O  O28  1  0.004  0.673  0.661  1.0
  O  O29  1  0.327  0.996  0.839  1.0
  O  O30  1  0.209  0.303  0.621  1.0
  O  O31  1  0.697  0.791  0.879  1.0
  O  O32  1  0.791  0.697  0.379  1.0
  O  O33  1  0.303  0.209  0.121  1.0
  O  O34  1  0.682  0.108  0.751  1.0
  O  O35  1  0.892  0.318  0.749  1.0
  O  O36  1  0.318  0.892  0.249  1.0
  O  O37  1  0.108  0.682  0.251  1.0
  O  O38  1  0.409  0.781  0.410  1.0
  O  O39  1  0.219  0.591  0.090  1.0
  O  O40  1  0.591  0.219  0.590  1.0
  O  O41  1  0.781  0.409  0.910  1.0
[/CIF]
.
The material described by V2Ni(H2O5)2(H2)2 crystallizes in the monoclinic C2/c space group. The structure consists of eight 1333-74-0 molecules inside a V2Ni(H2O5)2 framework. In the V2Ni(H2O5)2 framework, V(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), 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(2) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(3) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to three equivalent V(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one Ni(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one V(1), one Ni(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one Ni(1), and one O(5) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one H(3) and one O(4) atom. is represented by the CIF file [CIF]
data_V2Ni(H4O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.001
_cell_length_b   8.001
_cell_length_c   7.162
_cell_angle_alpha   71.813
_cell_angle_beta   71.813
_cell_angle_gamma   69.837
_symmetry_Int_Tables_number   1
_cell_volume   398.018
_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  0.880  0.897  0.207  1.0
  V  V1  1  0.103  0.120  0.293  1.0
  V  V2  1  0.120  0.103  0.793  1.0
  V  V3  1  0.897  0.880  0.707  1.0
  Ni  Ni4  1  0.000  0.500  0.500  1.0
  Ni  Ni5  1  0.500  0.000  0.000  1.0
  H  H6  1  0.438  0.309  0.311  1.0
  H  H7  1  0.691  0.562  0.189  1.0
  H  H8  1  0.562  0.691  0.689  1.0
  H  H9  1  0.309  0.438  0.811  1.0
  H  H10  1  0.658  0.716  0.401  1.0
  H  H11  1  0.284  0.342  0.099  1.0
  H  H12  1  0.342  0.284  0.599  1.0
  H  H13  1  0.716  0.658  0.901  1.0
  H  H14  1  0.672  0.161  0.478  1.0
  H  H15  1  0.839  0.328  0.022  1.0
  H  H16  1  0.328  0.839  0.522  1.0
  H  H17  1  0.161  0.672  0.978  1.0
  H  H18  1  0.339  0.521  0.747  1.0
  H  H19  1  0.479  0.661  0.753  1.0
  H  H20  1  0.661  0.479  0.253  1.0
  H  H21  1  0.521  0.339  0.247  1.0
  O  O22  1  0.885  0.989  0.423  1.0
  O  O23  1  0.011  0.115  0.077  1.0
  O  O24  1  0.115  0.011  0.577  1.0
  O  O25  1  0.989  0.885  0.923  1.0
  O  O26  1  0.996  0.327  0.339  1.0
  O  O27  1  0.673  0.004  0.161  1.0
  O  O28  1  0.004  0.673  0.661  1.0
  O  O29  1  0.327  0.996  0.839  1.0
  O  O30  1  0.209  0.303  0.621  1.0
  O  O31  1  0.697  0.791  0.879  1.0
  O  O32  1  0.791  0.697  0.379  1.0
  O  O33  1  0.303  0.209  0.121  1.0
  O  O34  1  0.682  0.108  0.751  1.0
  O  O35  1  0.892  0.318  0.749  1.0
  O  O36  1  0.318  0.892  0.249  1.0
  O  O37  1  0.108  0.682  0.251  1.0
  O  O38  1  0.409  0.781  0.410  1.0
  O  O39  1  0.219  0.591  0.090  1.0
  O  O40  1  0.591  0.219  0.590  1.0
  O  O41  1  0.781  0.409  0.910  1.0
[/CIF]
.