The compound described by Cs3Pu(H3O4)2H2O crystallizes in the monoclinic C2/c space group. The structure consists of four water molecules inside a Cs3Pu(H3O4)2 framework. In the Cs3Pu(H3O4)2 framework, there are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 2-coordinate geometry to one O(1) and one O(2) atom. In the second Cs site, Cs(2) is bonded in a 12-coordinate geometry to two equivalent H(2), two equivalent H(3), two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. Pu(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Cs(2) and one O(4) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one Cs(2) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Pu(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Pu(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Pu(1) and one H(1) atom. In the fourth O site, O(4) is bonded in a water-like geometry to two equivalent Cs(2), one H(2), and one H(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3PuH8O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.204
_cell_length_b   8.719
_cell_length_c   8.719
_cell_angle_alpha   84.178
_cell_angle_beta   86.951
_cell_angle_gamma   86.951
_symmetry_Int_Tables_number   1
_cell_volume   618.810
_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
  Cs  Cs0  1  0.549  0.611  0.789  1.0
  Cs  Cs1  1  0.951  0.211  0.389  1.0
  Cs  Cs2  1  0.451  0.389  0.211  1.0
  Cs  Cs3  1  0.049  0.789  0.611  1.0
  Cs  Cs4  1  0.250  0.931  0.069  1.0
  Cs  Cs5  1  0.750  0.069  0.931  1.0
  Pu  Pu6  1  0.000  0.500  0.000  1.0
  Pu  Pu7  1  0.500  0.000  0.500  1.0
  H  H8  1  0.917  0.444  0.689  1.0
  H  H9  1  0.583  0.311  0.556  1.0
  H  H10  1  0.083  0.556  0.311  1.0
  H  H11  1  0.417  0.689  0.444  1.0
  H  H12  1  0.193  0.084  0.717  1.0
  H  H13  1  0.307  0.283  0.916  1.0
  H  H14  1  0.807  0.916  0.283  1.0
  H  H15  1  0.693  0.717  0.084  1.0
  H  H16  1  0.065  0.226  0.750  1.0
  H  H17  1  0.435  0.250  0.774  1.0
  H  H18  1  0.935  0.774  0.250  1.0
  H  H19  1  0.565  0.750  0.226  1.0
  H  H20  1  0.164  0.453  0.610  1.0
  H  H21  1  0.336  0.390  0.547  1.0
  H  H22  1  0.836  0.547  0.390  1.0
  H  H23  1  0.664  0.610  0.453  1.0
  O  O24  1  0.882  0.686  0.929  1.0
  O  O25  1  0.618  0.071  0.314  1.0
  O  O26  1  0.118  0.314  0.071  1.0
  O  O27  1  0.382  0.929  0.686  1.0
  O  O28  1  0.201  0.596  0.959  1.0
  O  O29  1  0.299  0.041  0.404  1.0
  O  O30  1  0.799  0.404  0.041  1.0
  O  O31  1  0.701  0.959  0.596  1.0
  O  O32  1  0.016  0.415  0.744  1.0
  O  O33  1  0.484  0.256  0.585  1.0
  O  O34  1  0.984  0.585  0.256  1.0
  O  O35  1  0.516  0.744  0.415  1.0
  O  O36  1  0.079  0.110  0.748  1.0
  O  O37  1  0.421  0.252  0.890  1.0
  O  O38  1  0.921  0.890  0.252  1.0
  O  O39  1  0.579  0.748  0.110  1.0
  O  O40  1  0.250  0.475  0.525  1.0
  O  O41  1  0.750  0.525  0.475  1.0
[/CIF]
.
The compound described by Cs3Pu(H3O4)2H2O crystallizes in the monoclinic C2/c space group. The structure consists of four water molecules inside a Cs3Pu(H3O4)2 framework. In the Cs3Pu(H3O4)2 framework, there are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 2-coordinate geometry to one O(1) and one O(2) atom. In the second Cs site, Cs(2) is bonded in a 12-coordinate geometry to two equivalent H(2), two equivalent H(3), two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. Pu(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Cs(2) and one O(4) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one Cs(2) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Pu(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Pu(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Pu(1) and one H(1) atom. In the fourth O site, O(4) is bonded in a water-like geometry to two equivalent Cs(2), one H(2), and one H(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3PuH8O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.204
_cell_length_b   8.719
_cell_length_c   8.719
_cell_angle_alpha   84.178
_cell_angle_beta   86.951
_cell_angle_gamma   86.951
_symmetry_Int_Tables_number   1
_cell_volume   618.810
_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
  Cs  Cs0  1  0.549  0.611  0.789  1.0
  Cs  Cs1  1  0.951  0.211  0.389  1.0
  Cs  Cs2  1  0.451  0.389  0.211  1.0
  Cs  Cs3  1  0.049  0.789  0.611  1.0
  Cs  Cs4  1  0.250  0.931  0.069  1.0
  Cs  Cs5  1  0.750  0.069  0.931  1.0
  Pu  Pu6  1  0.000  0.500  0.000  1.0
  Pu  Pu7  1  0.500  0.000  0.500  1.0
  H  H8  1  0.917  0.444  0.689  1.0
  H  H9  1  0.583  0.311  0.556  1.0
  H  H10  1  0.083  0.556  0.311  1.0
  H  H11  1  0.417  0.689  0.444  1.0
  H  H12  1  0.193  0.084  0.717  1.0
  H  H13  1  0.307  0.283  0.916  1.0
  H  H14  1  0.807  0.916  0.283  1.0
  H  H15  1  0.693  0.717  0.084  1.0
  H  H16  1  0.065  0.226  0.750  1.0
  H  H17  1  0.435  0.250  0.774  1.0
  H  H18  1  0.935  0.774  0.250  1.0
  H  H19  1  0.565  0.750  0.226  1.0
  H  H20  1  0.164  0.453  0.610  1.0
  H  H21  1  0.336  0.390  0.547  1.0
  H  H22  1  0.836  0.547  0.390  1.0
  H  H23  1  0.664  0.610  0.453  1.0
  O  O24  1  0.882  0.686  0.929  1.0
  O  O25  1  0.618  0.071  0.314  1.0
  O  O26  1  0.118  0.314  0.071  1.0
  O  O27  1  0.382  0.929  0.686  1.0
  O  O28  1  0.201  0.596  0.959  1.0
  O  O29  1  0.299  0.041  0.404  1.0
  O  O30  1  0.799  0.404  0.041  1.0
  O  O31  1  0.701  0.959  0.596  1.0
  O  O32  1  0.016  0.415  0.744  1.0
  O  O33  1  0.484  0.256  0.585  1.0
  O  O34  1  0.984  0.585  0.256  1.0
  O  O35  1  0.516  0.744  0.415  1.0
  O  O36  1  0.079  0.110  0.748  1.0
  O  O37  1  0.421  0.252  0.890  1.0
  O  O38  1  0.921  0.890  0.252  1.0
  O  O39  1  0.579  0.748  0.110  1.0
  O  O40  1  0.250  0.475  0.525  1.0
  O  O41  1  0.750  0.525  0.475  1.0
[/CIF]
.