The compound 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 3-34°. H(1) is bonded in a single-bond geometry to one O(2) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one U(1) and one U(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent U(2) and one H(1) atom. In the third O site, O(3) is bonded in a 3-coordinate 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 single-bond geometry to one U(2) atom. is represented by the CIF card [CIF]
data_U3(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.563
_cell_length_b   5.899
_cell_length_c   7.529
_cell_angle_alpha   73.772
_cell_angle_beta   71.880
_cell_angle_gamma   73.497
_symmetry_Int_Tables_number   1
_cell_volume   220.133
_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  0.551  0.440  0.751  1.0
  U  U2  1  0.449  0.560  0.249  1.0
  H  H3  1  0.887  0.313  0.406  1.0
  H  H4  1  0.113  0.687  0.594  1.0
  O  O5  1  0.900  0.078  0.769  1.0
  O  O6  1  0.100  0.922  0.231  1.0
  O  O7  1  0.696  0.327  0.451  1.0
  O  O8  1  0.304  0.673  0.549  1.0
  O  O9  1  0.303  0.688  0.959  1.0
  O  O10  1  0.697  0.312  0.041  1.0
  O  O11  1  0.692  0.761  0.145  1.0
  O  O12  1  0.308  0.239  0.855  1.0
  O  O13  1  0.793  0.627  0.655  1.0
  O  O14  1  0.207  0.373  0.345  1.0
[/CIF]
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The compound 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 3-34°. H(1) is bonded in a single-bond geometry to one O(2) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one U(1) and one U(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent U(2) and one H(1) atom. In the third O site, O(3) is bonded in a 3-coordinate 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 single-bond geometry to one U(2) atom. is represented by the CIF card [CIF]
data_U3(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.563
_cell_length_b   5.899
_cell_length_c   7.529
_cell_angle_alpha   73.772
_cell_angle_beta   71.880
_cell_angle_gamma   73.497
_symmetry_Int_Tables_number   1
_cell_volume   220.133
_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  0.551  0.440  0.751  1.0
  U  U2  1  0.449  0.560  0.249  1.0
  H  H3  1  0.887  0.313  0.406  1.0
  H  H4  1  0.113  0.687  0.594  1.0
  O  O5  1  0.900  0.078  0.769  1.0
  O  O6  1  0.100  0.922  0.231  1.0
  O  O7  1  0.696  0.327  0.451  1.0
  O  O8  1  0.304  0.673  0.549  1.0
  O  O9  1  0.303  0.688  0.959  1.0
  O  O10  1  0.697  0.312  0.041  1.0
  O  O11  1  0.692  0.761  0.145  1.0
  O  O12  1  0.308  0.239  0.855  1.0
  O  O13  1  0.793  0.627  0.655  1.0
  O  O14  1  0.207  0.373  0.345  1.0
[/CIF]
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