The material structure described by Rb2UBr6 crystallizes in the tetragonal I4/mmm space group. Rb(1) is bonded to four equivalent Br(1) and eight equivalent Br(2) atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent Rb(1)Br12 cuboctahedra, faces with six equivalent Rb(1)Br12 cuboctahedra, and faces with four equivalent U(1)Br6 octahedra. U(1) is bonded to two equivalent Br(1) and four equivalent Br(2) atoms to form UBr6 octahedra that share faces with eight equivalent Rb(1)Br12 cuboctahedra. There are two inequivalent Br sites. In the first Br site, Br(2) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one U(1) atom. In the second Br site, Br(1) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one U(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2UBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.779
_cell_length_b   7.809
_cell_length_c   7.776
_cell_angle_alpha   59.886
_cell_angle_beta   60.267
_cell_angle_gamma   59.847
_symmetry_Int_Tables_number   1
_cell_volume   334.010
_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
  Rb  Rb0  1  0.250  0.250  0.250  1.0
  Rb  Rb1  1  0.750  0.750  0.750  1.0
  U  U2  1  0.000  0.000  0.000  1.0
  Br  Br3  1  0.749  0.251  0.749  1.0
  Br  Br4  1  0.251  0.749  0.251  1.0
  Br  Br5  1  0.748  0.748  0.252  1.0
  Br  Br6  1  0.252  0.252  0.748  1.0
  Br  Br7  1  0.749  0.251  0.251  1.0
  Br  Br8  1  0.251  0.749  0.749  1.0
[/CIF]
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The material structure described by Rb2UBr6 crystallizes in the tetragonal I4/mmm space group. Rb(1) is bonded to four equivalent Br(1) and eight equivalent Br(2) atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent Rb(1)Br12 cuboctahedra, faces with six equivalent Rb(1)Br12 cuboctahedra, and faces with four equivalent U(1)Br6 octahedra. U(1) is bonded to two equivalent Br(1) and four equivalent Br(2) atoms to form UBr6 octahedra that share faces with eight equivalent Rb(1)Br12 cuboctahedra. There are two inequivalent Br sites. In the first Br site, Br(2) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one U(1) atom. In the second Br site, Br(1) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one U(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2UBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.779
_cell_length_b   7.809
_cell_length_c   7.776
_cell_angle_alpha   59.886
_cell_angle_beta   60.267
_cell_angle_gamma   59.847
_symmetry_Int_Tables_number   1
_cell_volume   334.010
_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
  Rb  Rb0  1  0.250  0.250  0.250  1.0
  Rb  Rb1  1  0.750  0.750  0.750  1.0
  U  U2  1  0.000  0.000  0.000  1.0
  Br  Br3  1  0.749  0.251  0.749  1.0
  Br  Br4  1  0.251  0.749  0.251  1.0
  Br  Br5  1  0.748  0.748  0.252  1.0
  Br  Br6  1  0.252  0.252  0.748  1.0
  Br  Br7  1  0.749  0.251  0.251  1.0
  Br  Br8  1  0.251  0.749  0.749  1.0
[/CIF]
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