The material structure described by V2Ni(H2O5)2(H2)2 crystallizes in the triclinic P-1 space group. The structure consists of four 1333-74-0 molecules inside a V2Ni(H2O5)2 framework. In the V2Ni(H2O5)2 framework, there are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), and two equivalent O(2) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(6), and two equivalent O(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in an octahedral geometry to two equivalent O(3), two equivalent O(5), and two equivalent O(8) atoms. In the second Ni site, Ni(2) is bonded in an octahedral geometry to two equivalent O(4), two equivalent O(6), and two equivalent O(7) atoms. There are four inequivalent H sites. In the first H site, H(3) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(4) is bonded in a single-bond geometry to one O(6) atom. In the third H site, H(5) is bonded in a single-bond geometry to one O(9) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one O(10) atom. There are ten inequivalent O sites. In the first O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one O(9) atom. In the second O site, O(8) is bonded in a bent 120 degrees geometry to one Ni(1) and one O(10) atom. In the third O site, O(9) is bonded in a single-bond geometry to one H(5) and one O(7) atom. In the fourth O site, O(10) is bonded in a single-bond geometry to one H(6) and one O(8) atom. In the fifth O site, O(1) is bonded in a trigonal non-coplanar geometry to one V(1) and two equivalent V(2) atoms. In the sixth 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 seventh O site, O(3) is bonded in a distorted bent 150 degrees geometry to one V(2) and one Ni(1) atom. In the eighth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(1) and one Ni(2) atom. In the ninth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one Ni(1), and one H(3) atom. In the tenth O site, O(6) is bonded in a distorted single-bond geometry to one V(2), one Ni(2), and one H(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2Ni(H4O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.355
_cell_length_b   8.393
_cell_length_c   7.127
_cell_angle_alpha   71.889
_cell_angle_beta   107.940
_cell_angle_gamma   103.396
_symmetry_Int_Tables_number   1
_cell_volume   446.780
_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  0.135  0.930  0.693  1.0
  V  V1  1  0.936  0.145  0.806  1.0
  V  V2  1  0.865  0.070  0.307  1.0
  V  V3  1  0.064  0.855  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  0.571  0.361  0.816  1.0
  H  H7  1  0.354  0.571  0.678  1.0
  H  H8  1  0.429  0.639  0.184  1.0
  H  H9  1  0.646  0.429  0.322  1.0
  H  H10  1  0.258  0.668  0.837  1.0
  H  H11  1  0.649  0.237  0.675  1.0
  H  H12  1  0.742  0.332  0.163  1.0
  H  H13  1  0.351  0.763  0.325  1.0
  H  H14  1  0.425  0.131  0.085  1.0
  H  H15  1  0.138  0.460  0.402  1.0
  H  H16  1  0.575  0.869  0.915  1.0
  H  H17  1  0.862  0.540  0.598  1.0
  H  H18  1  0.699  0.503  0.267  1.0
  H  H19  1  0.503  0.698  0.229  1.0
  H  H20  1  0.301  0.497  0.733  1.0
  H  H21  1  0.497  0.302  0.771  1.0
  O  O22  1  0.102  0.979  0.919  1.0
  O  O23  1  0.983  0.109  0.563  1.0
  O  O24  1  0.898  0.021  0.081  1.0
  O  O25  1  0.017  0.891  0.437  1.0
  O  O26  1  0.011  0.344  0.822  1.0
  O  O27  1  0.329  0.011  0.676  1.0
  O  O28  1  0.989  0.656  0.178  1.0
  O  O29  1  0.671  0.989  0.324  1.0
  O  O30  1  0.850  0.297  0.173  1.0
  O  O31  1  0.305  0.857  0.334  1.0
  O  O32  1  0.150  0.703  0.827  1.0
  O  O33  1  0.695  0.143  0.666  1.0
  O  O34  1  0.423  0.210  0.307  1.0
  O  O35  1  0.210  0.424  0.191  1.0
  O  O36  1  0.577  0.790  0.693  1.0
  O  O37  1  0.790  0.576  0.809  1.0
  O  O38  1  0.554  0.756  0.890  1.0
  O  O39  1  0.756  0.565  0.608  1.0
  O  O40  1  0.446  0.244  0.110  1.0
  O  O41  1  0.244  0.435  0.392  1.0
[/CIF]
.
The material structure described by V2Ni(H2O5)2(H2)2 crystallizes in the triclinic P-1 space group. The structure consists of four 1333-74-0 molecules inside a V2Ni(H2O5)2 framework. In the V2Ni(H2O5)2 framework, there are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), and two equivalent O(2) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(6), and two equivalent O(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in an octahedral geometry to two equivalent O(3), two equivalent O(5), and two equivalent O(8) atoms. In the second Ni site, Ni(2) is bonded in an octahedral geometry to two equivalent O(4), two equivalent O(6), and two equivalent O(7) atoms. There are four inequivalent H sites. In the first H site, H(3) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(4) is bonded in a single-bond geometry to one O(6) atom. In the third H site, H(5) is bonded in a single-bond geometry to one O(9) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one O(10) atom. There are ten inequivalent O sites. In the first O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one O(9) atom. In the second O site, O(8) is bonded in a bent 120 degrees geometry to one Ni(1) and one O(10) atom. In the third O site, O(9) is bonded in a single-bond geometry to one H(5) and one O(7) atom. In the fourth O site, O(10) is bonded in a single-bond geometry to one H(6) and one O(8) atom. In the fifth O site, O(1) is bonded in a trigonal non-coplanar geometry to one V(1) and two equivalent V(2) atoms. In the sixth 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 seventh O site, O(3) is bonded in a distorted bent 150 degrees geometry to one V(2) and one Ni(1) atom. In the eighth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(1) and one Ni(2) atom. In the ninth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one Ni(1), and one H(3) atom. In the tenth O site, O(6) is bonded in a distorted single-bond geometry to one V(2), one Ni(2), and one H(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2Ni(H4O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.355
_cell_length_b   8.393
_cell_length_c   7.127
_cell_angle_alpha   71.889
_cell_angle_beta   107.940
_cell_angle_gamma   103.396
_symmetry_Int_Tables_number   1
_cell_volume   446.780
_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  0.135  0.930  0.693  1.0
  V  V1  1  0.936  0.145  0.806  1.0
  V  V2  1  0.865  0.070  0.307  1.0
  V  V3  1  0.064  0.855  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  0.571  0.361  0.816  1.0
  H  H7  1  0.354  0.571  0.678  1.0
  H  H8  1  0.429  0.639  0.184  1.0
  H  H9  1  0.646  0.429  0.322  1.0
  H  H10  1  0.258  0.668  0.837  1.0
  H  H11  1  0.649  0.237  0.675  1.0
  H  H12  1  0.742  0.332  0.163  1.0
  H  H13  1  0.351  0.763  0.325  1.0
  H  H14  1  0.425  0.131  0.085  1.0
  H  H15  1  0.138  0.460  0.402  1.0
  H  H16  1  0.575  0.869  0.915  1.0
  H  H17  1  0.862  0.540  0.598  1.0
  H  H18  1  0.699  0.503  0.267  1.0
  H  H19  1  0.503  0.698  0.229  1.0
  H  H20  1  0.301  0.497  0.733  1.0
  H  H21  1  0.497  0.302  0.771  1.0
  O  O22  1  0.102  0.979  0.919  1.0
  O  O23  1  0.983  0.109  0.563  1.0
  O  O24  1  0.898  0.021  0.081  1.0
  O  O25  1  0.017  0.891  0.437  1.0
  O  O26  1  0.011  0.344  0.822  1.0
  O  O27  1  0.329  0.011  0.676  1.0
  O  O28  1  0.989  0.656  0.178  1.0
  O  O29  1  0.671  0.989  0.324  1.0
  O  O30  1  0.850  0.297  0.173  1.0
  O  O31  1  0.305  0.857  0.334  1.0
  O  O32  1  0.150  0.703  0.827  1.0
  O  O33  1  0.695  0.143  0.666  1.0
  O  O34  1  0.423  0.210  0.307  1.0
  O  O35  1  0.210  0.424  0.191  1.0
  O  O36  1  0.577  0.790  0.693  1.0
  O  O37  1  0.790  0.576  0.809  1.0
  O  O38  1  0.554  0.756  0.890  1.0
  O  O39  1  0.756  0.565  0.608  1.0
  O  O40  1  0.446  0.244  0.110  1.0
  O  O41  1  0.244  0.435  0.392  1.0
[/CIF]
.