The crystal structure described by U3O5 crystallizes in the trigonal P3m1 space group. There are three inequivalent U sites. In the first U site, U(1) is bonded to one O(2), one O(4), and three equivalent O(5) atoms to form distorted corner-sharing UO5 trigonal bipyramids. In the second U site, U(2) is bonded in a 7-coordinate geometry to one O(1), three equivalent O(2), and three equivalent O(3) atoms. In the third U site, U(3) is bonded in a body-centered cubic geometry to one O(3), one O(5), three equivalent O(1), and three equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to one U(2) and three equivalent U(3) atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the second O site, O(2) is bonded to one U(1) and three equivalent U(2) atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the third O site, O(3) is bonded to one U(3) and three equivalent U(2) atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the fourth O site, O(4) is bonded to one U(1) and three equivalent U(3) atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the fifth O site, O(5) is bonded to one U(3) and three equivalent U(1) atoms to form a mixture of distorted corner and edge-sharing OU4 tetrahedra. is represented by the CIF card [CIF]
data_U3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.827
_cell_length_b   3.827
_cell_length_c   9.447
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   119.818
_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  0.001  1.0
  U  U1  1  0.333  0.667  0.658  1.0
  U  U2  1  0.667  0.333  0.329  1.0
  O  O3  1  0.333  0.667  0.415  1.0
  O  O4  1  0.000  0.000  0.764  1.0
  O  O5  1  0.667  0.333  0.581  1.0
  O  O6  1  0.000  0.000  0.242  1.0
  O  O7  1  0.667  0.333  0.055  1.0
[/CIF]
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The crystal structure described by U3O5 crystallizes in the trigonal P3m1 space group. There are three inequivalent U sites. In the first U site, U(1) is bonded to one O(2), one O(4), and three equivalent O(5) atoms to form distorted corner-sharing UO5 trigonal bipyramids. In the second U site, U(2) is bonded in a 7-coordinate geometry to one O(1), three equivalent O(2), and three equivalent O(3) atoms. In the third U site, U(3) is bonded in a body-centered cubic geometry to one O(3), one O(5), three equivalent O(1), and three equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to one U(2) and three equivalent U(3) atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the second O site, O(2) is bonded to one U(1) and three equivalent U(2) atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the third O site, O(3) is bonded to one U(3) and three equivalent U(2) atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the fourth O site, O(4) is bonded to one U(1) and three equivalent U(3) atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the fifth O site, O(5) is bonded to one U(3) and three equivalent U(1) atoms to form a mixture of distorted corner and edge-sharing OU4 tetrahedra. is represented by the CIF card [CIF]
data_U3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.827
_cell_length_b   3.827
_cell_length_c   9.447
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   119.818
_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  0.001  1.0
  U  U1  1  0.333  0.667  0.658  1.0
  U  U2  1  0.667  0.333  0.329  1.0
  O  O3  1  0.333  0.667  0.415  1.0
  O  O4  1  0.000  0.000  0.764  1.0
  O  O5  1  0.667  0.333  0.581  1.0
  O  O6  1  0.000  0.000  0.242  1.0
  O  O7  1  0.667  0.333  0.055  1.0
[/CIF]
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