The material described by U2NiAs2(H2O3)6(H2O)6 crystallizes in the triclinic P-1 space group. The structure consists of six water molecules inside a U2NiAs2(H2O3)6 framework. In the U2NiAs2(H2O3)6 framework, U(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form UO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. Ni(1) is bonded in an octahedral geometry to two equivalent O(7), two equivalent O(8), and two equivalent O(9) atoms. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with four equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-46°. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(7) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(6) and one O(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(8) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(9) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(9) atom. There are nine inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 120 degrees geometry to one U(1) and one As(1) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one U(1) and one As(1) atom. In the third O site, O(5) is bonded in a single-bond geometry to one U(1) atom. In the fourth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one U(1) and one H(3) atom. In the fifth O site, O(7) is bonded in a distorted water-like geometry to one Ni(1), one H(1), and one H(2) atom. In the sixth O site, O(8) is bonded in a distorted water-like geometry to one Ni(1), one H(3), and one H(4) atom. In the seventh O site, O(9) is bonded in a distorted water-like geometry to one Ni(1), one H(5), and one H(6) atom. In the eighth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one U(1) and one As(1) atom. In the ninth O site, O(2) is bonded in a 2-coordinate geometry to one U(1) and one As(1) atom. is represented by the CIF file [CIF]
data_U2NiAs2(HO)24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.237
_cell_length_b   7.237
_cell_length_c   11.319
_cell_angle_alpha   82.129
_cell_angle_beta   80.286
_cell_angle_gamma   88.626
_symmetry_Int_Tables_number   1
_cell_volume   578.805
_cell_formula_units_Z   1
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
  U  U0  1  0.772  0.266  0.918  1.0
  U  U1  1  0.228  0.734  0.082  1.0
  Ni  Ni2  1  0.000  0.000  0.500  1.0
  As  As3  1  0.253  0.249  0.001  1.0
  As  As4  1  0.747  0.751  0.999  1.0
  H  H5  1  0.281  0.237  0.479  1.0
  H  H6  1  0.719  0.763  0.521  1.0
  H  H7  1  0.253  0.132  0.612  1.0
  H  H8  1  0.747  0.868  0.388  1.0
  H  H9  1  0.817  0.245  0.612  1.0
  H  H10  1  0.183  0.755  0.388  1.0
  H  H11  1  0.655  0.124  0.593  1.0
  H  H12  1  0.345  0.876  0.407  1.0
  H  H13  1  0.069  0.744  0.685  1.0
  H  H14  1  0.931  0.256  0.315  1.0
  H  H15  1  0.928  0.890  0.751  1.0
  H  H16  1  0.072  0.110  0.249  1.0
  H  H17  1  0.556  0.893  0.233  1.0
  H  H18  1  0.444  0.107  0.767  1.0
  H  H19  1  0.531  0.076  0.299  1.0
  H  H20  1  0.469  0.924  0.701  1.0
  H  H21  1  0.167  0.458  0.773  1.0
  H  H22  1  0.833  0.542  0.227  1.0
  H  H23  1  0.183  0.461  0.634  1.0
  H  H24  1  0.817  0.539  0.366  1.0
  H  H25  1  0.434  0.631  0.676  1.0
  H  H26  1  0.566  0.369  0.324  1.0
  H  H27  1  0.623  0.646  0.727  1.0
  H  H28  1  0.377  0.354  0.273  1.0
  O  O29  1  0.461  0.225  0.905  1.0
  O  O30  1  0.539  0.775  0.095  1.0
  O  O31  1  0.088  0.304  0.909  1.0
  O  O32  1  0.912  0.696  0.091  1.0
  O  O33  1  0.192  0.048  0.099  1.0
  O  O34  1  0.808  0.952  0.901  1.0
  O  O35  1  0.269  0.421  0.089  1.0
  O  O36  1  0.731  0.579  0.911  1.0
  O  O37  1  0.728  0.223  0.082  1.0
  O  O38  1  0.272  0.777  0.918  1.0
  O  O39  1  0.819  0.313  0.753  1.0
  O  O40  1  0.181  0.687  0.247  1.0
  O  O41  1  0.183  0.196  0.549  1.0
  O  O42  1  0.817  0.804  0.451  1.0
  O  O43  1  0.780  0.175  0.551  1.0
  O  O44  1  0.220  0.825  0.449  1.0
  O  O45  1  0.988  0.855  0.672  1.0
  O  O46  1  0.012  0.145  0.328  1.0
  O  O47  1  0.554  0.939  0.311  1.0
  O  O48  1  0.446  0.061  0.689  1.0
  O  O49  1  0.206  0.538  0.695  1.0
  O  O50  1  0.794  0.462  0.305  1.0
  O  O51  1  0.553  0.703  0.665  1.0
  O  O52  1  0.447  0.297  0.335  1.0
[/CIF]
.
The material described by U2NiAs2(H2O3)6(H2O)6 crystallizes in the triclinic P-1 space group. The structure consists of six water molecules inside a U2NiAs2(H2O3)6 framework. In the U2NiAs2(H2O3)6 framework, U(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form UO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. Ni(1) is bonded in an octahedral geometry to two equivalent O(7), two equivalent O(8), and two equivalent O(9) atoms. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with four equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-46°. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(7) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(6) and one O(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(8) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(9) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(9) atom. There are nine inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 120 degrees geometry to one U(1) and one As(1) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one U(1) and one As(1) atom. In the third O site, O(5) is bonded in a single-bond geometry to one U(1) atom. In the fourth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one U(1) and one H(3) atom. In the fifth O site, O(7) is bonded in a distorted water-like geometry to one Ni(1), one H(1), and one H(2) atom. In the sixth O site, O(8) is bonded in a distorted water-like geometry to one Ni(1), one H(3), and one H(4) atom. In the seventh O site, O(9) is bonded in a distorted water-like geometry to one Ni(1), one H(5), and one H(6) atom. In the eighth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one U(1) and one As(1) atom. In the ninth O site, O(2) is bonded in a 2-coordinate geometry to one U(1) and one As(1) atom. is represented by the CIF file [CIF]
data_U2NiAs2(HO)24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.237
_cell_length_b   7.237
_cell_length_c   11.319
_cell_angle_alpha   82.129
_cell_angle_beta   80.286
_cell_angle_gamma   88.626
_symmetry_Int_Tables_number   1
_cell_volume   578.805
_cell_formula_units_Z   1
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
  U  U0  1  0.772  0.266  0.918  1.0
  U  U1  1  0.228  0.734  0.082  1.0
  Ni  Ni2  1  0.000  0.000  0.500  1.0
  As  As3  1  0.253  0.249  0.001  1.0
  As  As4  1  0.747  0.751  0.999  1.0
  H  H5  1  0.281  0.237  0.479  1.0
  H  H6  1  0.719  0.763  0.521  1.0
  H  H7  1  0.253  0.132  0.612  1.0
  H  H8  1  0.747  0.868  0.388  1.0
  H  H9  1  0.817  0.245  0.612  1.0
  H  H10  1  0.183  0.755  0.388  1.0
  H  H11  1  0.655  0.124  0.593  1.0
  H  H12  1  0.345  0.876  0.407  1.0
  H  H13  1  0.069  0.744  0.685  1.0
  H  H14  1  0.931  0.256  0.315  1.0
  H  H15  1  0.928  0.890  0.751  1.0
  H  H16  1  0.072  0.110  0.249  1.0
  H  H17  1  0.556  0.893  0.233  1.0
  H  H18  1  0.444  0.107  0.767  1.0
  H  H19  1  0.531  0.076  0.299  1.0
  H  H20  1  0.469  0.924  0.701  1.0
  H  H21  1  0.167  0.458  0.773  1.0
  H  H22  1  0.833  0.542  0.227  1.0
  H  H23  1  0.183  0.461  0.634  1.0
  H  H24  1  0.817  0.539  0.366  1.0
  H  H25  1  0.434  0.631  0.676  1.0
  H  H26  1  0.566  0.369  0.324  1.0
  H  H27  1  0.623  0.646  0.727  1.0
  H  H28  1  0.377  0.354  0.273  1.0
  O  O29  1  0.461  0.225  0.905  1.0
  O  O30  1  0.539  0.775  0.095  1.0
  O  O31  1  0.088  0.304  0.909  1.0
  O  O32  1  0.912  0.696  0.091  1.0
  O  O33  1  0.192  0.048  0.099  1.0
  O  O34  1  0.808  0.952  0.901  1.0
  O  O35  1  0.269  0.421  0.089  1.0
  O  O36  1  0.731  0.579  0.911  1.0
  O  O37  1  0.728  0.223  0.082  1.0
  O  O38  1  0.272  0.777  0.918  1.0
  O  O39  1  0.819  0.313  0.753  1.0
  O  O40  1  0.181  0.687  0.247  1.0
  O  O41  1  0.183  0.196  0.549  1.0
  O  O42  1  0.817  0.804  0.451  1.0
  O  O43  1  0.780  0.175  0.551  1.0
  O  O44  1  0.220  0.825  0.449  1.0
  O  O45  1  0.988  0.855  0.672  1.0
  O  O46  1  0.012  0.145  0.328  1.0
  O  O47  1  0.554  0.939  0.311  1.0
  O  O48  1  0.446  0.061  0.689  1.0
  O  O49  1  0.206  0.538  0.695  1.0
  O  O50  1  0.794  0.462  0.305  1.0
  O  O51  1  0.553  0.703  0.665  1.0
  O  O52  1  0.447  0.297  0.335  1.0
[/CIF]
.