The structure described by U is beta Uranium structured and crystallizes in the tetragonal P4_2/mnm space group. There are five inequivalent U sites. In the first U site, U(1) is bonded to four equivalent U(2), four equivalent U(3), and four equivalent U(4) atoms to form a mixture of face, corner, and edge-sharing UU12 cuboctahedra. In the second U site, U(2) is bonded in a 15-coordinate geometry to one U(2), two equivalent U(1), two equivalent U(5), four equivalent U(4), and six equivalent U(3) atoms. In the third U site, U(3) is bonded in a 1-coordinate geometry to one U(1), one U(3), three equivalent U(2), four equivalent U(4), and four equivalent U(5) atoms. In the fourth U site, U(4) is bonded to one U(1), one U(4), two equivalent U(2), four equivalent U(3), and four equivalent U(5) atoms to form a mixture of distorted face, corner, and edge-sharing UU12 cuboctahedra. In the fifth U site, U(5) is bonded in a 14-coordinate geometry to one U(2), four equivalent U(3), four equivalent U(4), and five equivalent U(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.584
_cell_length_b   10.441
_cell_length_c   10.441
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   608.672
_cell_formula_units_Z   30
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  0.500  0.000  0.000  1.0
  U  U1  1  0.000  0.500  0.500  1.0
  U  U2  1  0.000  0.109  0.109  1.0
  U  U3  1  0.500  0.391  0.609  1.0
  U  U4  1  0.500  0.609  0.391  1.0
  U  U5  1  0.000  0.891  0.891  1.0
  U  U6  1  0.274  0.322  0.322  1.0
  U  U7  1  0.774  0.178  0.822  1.0
  U  U8  1  0.774  0.822  0.178  1.0
  U  U9  1  0.274  0.678  0.678  1.0
  U  U10  1  0.226  0.822  0.178  1.0
  U  U11  1  0.226  0.178  0.822  1.0
  U  U12  1  0.726  0.322  0.322  1.0
  U  U13  1  0.726  0.678  0.678  1.0
  U  U14  1  0.000  0.558  0.233  1.0
  U  U15  1  0.500  0.267  0.058  1.0
  U  U16  1  0.500  0.733  0.942  1.0
  U  U17  1  0.000  0.442  0.767  1.0
  U  U18  1  0.500  0.058  0.267  1.0
  U  U19  1  0.500  0.942  0.733  1.0
  U  U20  1  0.000  0.233  0.558  1.0
  U  U21  1  0.000  0.767  0.442  1.0
  U  U22  1  0.000  0.366  0.048  1.0
  U  U23  1  0.500  0.452  0.866  1.0
  U  U24  1  0.500  0.548  0.134  1.0
  U  U25  1  0.000  0.634  0.952  1.0
  U  U26  1  0.500  0.866  0.452  1.0
  U  U27  1  0.500  0.134  0.548  1.0
  U  U28  1  0.000  0.048  0.366  1.0
  U  U29  1  0.000  0.952  0.634  1.0
[/CIF]
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The structure described by U is beta Uranium structured and crystallizes in the tetragonal P4_2/mnm space group. There are five inequivalent U sites. In the first U site, U(1) is bonded to four equivalent U(2), four equivalent U(3), and four equivalent U(4) atoms to form a mixture of face, corner, and edge-sharing UU12 cuboctahedra. In the second U site, U(2) is bonded in a 15-coordinate geometry to one U(2), two equivalent U(1), two equivalent U(5), four equivalent U(4), and six equivalent U(3) atoms. In the third U site, U(3) is bonded in a 1-coordinate geometry to one U(1), one U(3), three equivalent U(2), four equivalent U(4), and four equivalent U(5) atoms. In the fourth U site, U(4) is bonded to one U(1), one U(4), two equivalent U(2), four equivalent U(3), and four equivalent U(5) atoms to form a mixture of distorted face, corner, and edge-sharing UU12 cuboctahedra. In the fifth U site, U(5) is bonded in a 14-coordinate geometry to one U(2), four equivalent U(3), four equivalent U(4), and five equivalent U(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.584
_cell_length_b   10.441
_cell_length_c   10.441
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   608.672
_cell_formula_units_Z   30
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  0.500  0.000  0.000  1.0
  U  U1  1  0.000  0.500  0.500  1.0
  U  U2  1  0.000  0.109  0.109  1.0
  U  U3  1  0.500  0.391  0.609  1.0
  U  U4  1  0.500  0.609  0.391  1.0
  U  U5  1  0.000  0.891  0.891  1.0
  U  U6  1  0.274  0.322  0.322  1.0
  U  U7  1  0.774  0.178  0.822  1.0
  U  U8  1  0.774  0.822  0.178  1.0
  U  U9  1  0.274  0.678  0.678  1.0
  U  U10  1  0.226  0.822  0.178  1.0
  U  U11  1  0.226  0.178  0.822  1.0
  U  U12  1  0.726  0.322  0.322  1.0
  U  U13  1  0.726  0.678  0.678  1.0
  U  U14  1  0.000  0.558  0.233  1.0
  U  U15  1  0.500  0.267  0.058  1.0
  U  U16  1  0.500  0.733  0.942  1.0
  U  U17  1  0.000  0.442  0.767  1.0
  U  U18  1  0.500  0.058  0.267  1.0
  U  U19  1  0.500  0.942  0.733  1.0
  U  U20  1  0.000  0.233  0.558  1.0
  U  U21  1  0.000  0.767  0.442  1.0
  U  U22  1  0.000  0.366  0.048  1.0
  U  U23  1  0.500  0.452  0.866  1.0
  U  U24  1  0.500  0.548  0.134  1.0
  U  U25  1  0.000  0.634  0.952  1.0
  U  U26  1  0.500  0.866  0.452  1.0
  U  U27  1  0.500  0.134  0.548  1.0
  U  U28  1  0.000  0.048  0.366  1.0
  U  U29  1  0.000  0.952  0.634  1.0
[/CIF]
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