The compound described by Cs2V2H2O7 crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one O(1), one O(5), two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing VO4 tetrahedra. H(1) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(2) and two equivalent V(1) atoms. In the second O site, O(4) is bonded in a single-bond geometry to one Cs(1), one Cs(2), and one V(1) atom. In the third O site, O(5) is bonded in a water-like geometry to one Cs(1), one Cs(2), and two equivalent H(1) atoms. In the fourth O site, O(1) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), and two equivalent V(1) atoms. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2V2H2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.925
_cell_length_b   9.068
_cell_length_c   18.584
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   998.541
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.596  0.250  0.964  1.0
  Cs  Cs1  1  0.404  0.750  0.036  1.0
  Cs  Cs2  1  0.596  0.750  0.536  1.0
  Cs  Cs3  1  0.404  0.250  0.464  1.0
  Cs  Cs4  1  0.590  0.250  0.702  1.0
  Cs  Cs5  1  0.410  0.750  0.298  1.0
  Cs  Cs6  1  0.590  0.750  0.798  1.0
  Cs  Cs7  1  0.410  0.250  0.202  1.0
  V  V8  1  0.121  0.560  0.661  1.0
  V  V9  1  0.879  0.060  0.339  1.0
  V  V10  1  0.121  0.440  0.839  1.0
  V  V11  1  0.879  0.940  0.161  1.0
  V  V12  1  0.879  0.440  0.339  1.0
  V  V13  1  0.121  0.940  0.661  1.0
  V  V14  1  0.879  0.560  0.161  1.0
  V  V15  1  0.121  0.060  0.839  1.0
  H  H16  1  0.960  0.165  0.564  1.0
  H  H17  1  0.040  0.665  0.436  1.0
  H  H18  1  0.960  0.835  0.936  1.0
  H  H19  1  0.040  0.335  0.064  1.0
  H  H20  1  0.040  0.835  0.436  1.0
  H  H21  1  0.960  0.335  0.564  1.0
  H  H22  1  0.040  0.165  0.064  1.0
  H  H23  1  0.960  0.665  0.936  1.0
  O  O24  1  0.223  0.750  0.650  1.0
  O  O25  1  0.777  0.250  0.350  1.0
  O  O26  1  0.223  0.250  0.850  1.0
  O  O27  1  0.777  0.750  0.150  1.0
  O  O28  1  0.840  0.554  0.657  1.0
  O  O29  1  0.160  0.054  0.343  1.0
  O  O30  1  0.840  0.446  0.843  1.0
  O  O31  1  0.160  0.946  0.157  1.0
  O  O32  1  0.160  0.446  0.343  1.0
  O  O33  1  0.840  0.946  0.657  1.0
  O  O34  1  0.160  0.554  0.157  1.0
  O  O35  1  0.840  0.054  0.843  1.0
  O  O36  1  0.219  0.500  0.750  1.0
  O  O37  1  0.781  0.000  0.250  1.0
  O  O38  1  0.781  0.500  0.250  1.0
  O  O39  1  0.219  0.000  0.750  1.0
  O  O40  1  0.230  0.450  0.597  1.0
  O  O41  1  0.770  0.950  0.403  1.0
  O  O42  1  0.230  0.550  0.903  1.0
  O  O43  1  0.770  0.050  0.097  1.0
  O  O44  1  0.770  0.550  0.403  1.0
  O  O45  1  0.230  0.050  0.597  1.0
  O  O46  1  0.770  0.450  0.097  1.0
  O  O47  1  0.230  0.950  0.903  1.0
  O  O48  1  0.866  0.250  0.550  1.0
  O  O49  1  0.134  0.750  0.450  1.0
  O  O50  1  0.866  0.750  0.950  1.0
  O  O51  1  0.134  0.250  0.050  1.0
[/CIF]
.
The compound described by Cs2V2H2O7 crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one O(1), one O(5), two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing VO4 tetrahedra. H(1) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(2) and two equivalent V(1) atoms. In the second O site, O(4) is bonded in a single-bond geometry to one Cs(1), one Cs(2), and one V(1) atom. In the third O site, O(5) is bonded in a water-like geometry to one Cs(1), one Cs(2), and two equivalent H(1) atoms. In the fourth O site, O(1) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), and two equivalent V(1) atoms. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2V2H2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.925
_cell_length_b   9.068
_cell_length_c   18.584
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   998.541
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.596  0.250  0.964  1.0
  Cs  Cs1  1  0.404  0.750  0.036  1.0
  Cs  Cs2  1  0.596  0.750  0.536  1.0
  Cs  Cs3  1  0.404  0.250  0.464  1.0
  Cs  Cs4  1  0.590  0.250  0.702  1.0
  Cs  Cs5  1  0.410  0.750  0.298  1.0
  Cs  Cs6  1  0.590  0.750  0.798  1.0
  Cs  Cs7  1  0.410  0.250  0.202  1.0
  V  V8  1  0.121  0.560  0.661  1.0
  V  V9  1  0.879  0.060  0.339  1.0
  V  V10  1  0.121  0.440  0.839  1.0
  V  V11  1  0.879  0.940  0.161  1.0
  V  V12  1  0.879  0.440  0.339  1.0
  V  V13  1  0.121  0.940  0.661  1.0
  V  V14  1  0.879  0.560  0.161  1.0
  V  V15  1  0.121  0.060  0.839  1.0
  H  H16  1  0.960  0.165  0.564  1.0
  H  H17  1  0.040  0.665  0.436  1.0
  H  H18  1  0.960  0.835  0.936  1.0
  H  H19  1  0.040  0.335  0.064  1.0
  H  H20  1  0.040  0.835  0.436  1.0
  H  H21  1  0.960  0.335  0.564  1.0
  H  H22  1  0.040  0.165  0.064  1.0
  H  H23  1  0.960  0.665  0.936  1.0
  O  O24  1  0.223  0.750  0.650  1.0
  O  O25  1  0.777  0.250  0.350  1.0
  O  O26  1  0.223  0.250  0.850  1.0
  O  O27  1  0.777  0.750  0.150  1.0
  O  O28  1  0.840  0.554  0.657  1.0
  O  O29  1  0.160  0.054  0.343  1.0
  O  O30  1  0.840  0.446  0.843  1.0
  O  O31  1  0.160  0.946  0.157  1.0
  O  O32  1  0.160  0.446  0.343  1.0
  O  O33  1  0.840  0.946  0.657  1.0
  O  O34  1  0.160  0.554  0.157  1.0
  O  O35  1  0.840  0.054  0.843  1.0
  O  O36  1  0.219  0.500  0.750  1.0
  O  O37  1  0.781  0.000  0.250  1.0
  O  O38  1  0.781  0.500  0.250  1.0
  O  O39  1  0.219  0.000  0.750  1.0
  O  O40  1  0.230  0.450  0.597  1.0
  O  O41  1  0.770  0.950  0.403  1.0
  O  O42  1  0.230  0.550  0.903  1.0
  O  O43  1  0.770  0.050  0.097  1.0
  O  O44  1  0.770  0.550  0.403  1.0
  O  O45  1  0.230  0.050  0.597  1.0
  O  O46  1  0.770  0.450  0.097  1.0
  O  O47  1  0.230  0.950  0.903  1.0
  O  O48  1  0.866  0.250  0.550  1.0
  O  O49  1  0.134  0.750  0.450  1.0
  O  O50  1  0.866  0.750  0.950  1.0
  O  O51  1  0.134  0.250  0.050  1.0
[/CIF]
.