The crystal structure described by U3O8 crystallizes in the trigonal P-31m space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(1) atoms. In the second U site, U(2) is bonded in a body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one U(1) and two equivalent U(2) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent U(2) atoms. is represented by the CIF card [CIF]
data_U3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.471
_cell_length_b   6.471
_cell_length_c   4.175
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   151.422
_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  0.667  0.333  0.000  1.0
  U  U2  1  0.333  0.667  0.000  1.0
  O  O3  1  0.681  0.681  0.159  1.0
  O  O4  1  0.319  0.000  0.159  1.0
  O  O5  1  0.000  0.319  0.159  1.0
  O  O6  1  0.333  0.667  0.500  1.0
  O  O7  1  0.319  0.319  0.841  1.0
  O  O8  1  0.681  0.000  0.841  1.0
  O  O9  1  0.000  0.681  0.841  1.0
  O  O10  1  0.667  0.333  0.500  1.0
[/CIF]
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The crystal structure described by U3O8 crystallizes in the trigonal P-31m space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(1) atoms. In the second U site, U(2) is bonded in a body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one U(1) and two equivalent U(2) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent U(2) atoms. is represented by the CIF card [CIF]
data_U3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.471
_cell_length_b   6.471
_cell_length_c   4.175
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   151.422
_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  0.667  0.333  0.000  1.0
  U  U2  1  0.333  0.667  0.000  1.0
  O  O3  1  0.681  0.681  0.159  1.0
  O  O4  1  0.319  0.000  0.159  1.0
  O  O5  1  0.000  0.319  0.159  1.0
  O  O6  1  0.333  0.667  0.500  1.0
  O  O7  1  0.319  0.319  0.841  1.0
  O  O8  1  0.681  0.000  0.841  1.0
  O  O9  1  0.000  0.681  0.841  1.0
  O  O10  1  0.667  0.333  0.500  1.0
[/CIF]
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