The structure described by U3(HO5)2 crystallizes in the triclinic P-1 space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing UO6 octahedra. In the second U site, U(2) is bonded to one O(1), one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent U(1)O6 octahedra,  an edgeedge with one U(1)O6 octahedra, and edges with two equivalent U(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 4-36°. 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(1) is bonded in a distorted water-like geometry to one U(1) and one U(2) atom. In the second O site, O(2) is bonded in a water-like geometry to two equivalent U(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one U(1) and two equivalent U(2) atoms. In the fourth O site, O(4) is bonded in a linear geometry to one U(1) and one U(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one U(2) and one H(1) atom. is represented by the CIF file [CIF]
data_U3(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.648
_cell_length_b   5.885
_cell_length_c   7.132
_cell_angle_alpha   74.253
_cell_angle_beta   72.407
_cell_angle_gamma   73.305
_symmetry_Int_Tables_number   1
_cell_volume   211.984
_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  0.000  0.000  0.000  1.0
  U  U1  1  0.539  0.441  0.741  1.0
  U  U2  1  0.461  0.559  0.259  1.0
  H  H3  1  0.881  0.780  0.584  1.0
  H  H4  1  0.119  0.220  0.416  1.0
  O  O5  1  0.905  0.076  0.754  1.0
  O  O6  1  0.095  0.924  0.246  1.0
  O  O7  1  0.666  0.324  0.456  1.0
  O  O8  1  0.334  0.676  0.544  1.0
  O  O9  1  0.308  0.683  0.958  1.0
  O  O10  1  0.692  0.317  0.042  1.0
  O  O11  1  0.700  0.774  0.142  1.0
  O  O12  1  0.300  0.226  0.858  1.0
  O  O13  1  0.797  0.645  0.652  1.0
  O  O14  1  0.203  0.355  0.348  1.0
[/CIF]
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The structure described by U3(HO5)2 crystallizes in the triclinic P-1 space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing UO6 octahedra. In the second U site, U(2) is bonded to one O(1), one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent U(1)O6 octahedra,  an edgeedge with one U(1)O6 octahedra, and edges with two equivalent U(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 4-36°. 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(1) is bonded in a distorted water-like geometry to one U(1) and one U(2) atom. In the second O site, O(2) is bonded in a water-like geometry to two equivalent U(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one U(1) and two equivalent U(2) atoms. In the fourth O site, O(4) is bonded in a linear geometry to one U(1) and one U(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one U(2) and one H(1) atom. is represented by the CIF file [CIF]
data_U3(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.648
_cell_length_b   5.885
_cell_length_c   7.132
_cell_angle_alpha   74.253
_cell_angle_beta   72.407
_cell_angle_gamma   73.305
_symmetry_Int_Tables_number   1
_cell_volume   211.984
_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  0.000  0.000  0.000  1.0
  U  U1  1  0.539  0.441  0.741  1.0
  U  U2  1  0.461  0.559  0.259  1.0
  H  H3  1  0.881  0.780  0.584  1.0
  H  H4  1  0.119  0.220  0.416  1.0
  O  O5  1  0.905  0.076  0.754  1.0
  O  O6  1  0.095  0.924  0.246  1.0
  O  O7  1  0.666  0.324  0.456  1.0
  O  O8  1  0.334  0.676  0.544  1.0
  O  O9  1  0.308  0.683  0.958  1.0
  O  O10  1  0.692  0.317  0.042  1.0
  O  O11  1  0.700  0.774  0.142  1.0
  O  O12  1  0.300  0.226  0.858  1.0
  O  O13  1  0.797  0.645  0.652  1.0
  O  O14  1  0.203  0.355  0.348  1.0
[/CIF]
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