The crystal structure described by Ba2US6 crystallizes in the tetragonal P4_2/nmc space group. Ba(1) is bonded in a 10-coordinate geometry to four equivalent S(2) and six equivalent S(1) atoms. U(1) is bonded to four equivalent S(1) and four equivalent S(2) atoms to form distorted US8 hexagonal bipyramids that share corners with four equivalent U(1)S8 hexagonal bipyramids and corners with four equivalent S(1)Ba3US trigonal bipyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Ba(1), one U(1), and one S(1) atom to form distorted SBa3US trigonal bipyramids that share  a cornercorner with one U(1)S8 hexagonal bipyramid, corners with ten equivalent S(1)Ba3US trigonal bipyramids, and edges with four equivalent S(1)Ba3US trigonal bipyramids. In the second S site, S(2) is bonded in a 6-coordinate geometry to four equivalent Ba(1) and two equivalent U(1) atoms. is represented by the CIF file [CIF]
data_Ba2US6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.471
_cell_length_b   5.471
_cell_length_c   15.953
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   477.510
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.000  0.000  0.134  1.0
  Ba  Ba1  1  0.500  0.500  0.634  1.0
  Ba  Ba2  1  0.500  0.500  0.366  1.0
  Ba  Ba3  1  0.000  0.000  0.866  1.0
  U  U4  1  0.000  0.000  0.500  1.0
  U  U5  1  0.500  0.500  0.000  1.0
  S  S6  1  0.311  0.500  0.165  1.0
  S  S7  1  0.689  0.500  0.165  1.0
  S  S8  1  0.000  0.811  0.665  1.0
  S  S9  1  0.000  0.189  0.665  1.0
  S  S10  1  0.189  0.000  0.335  1.0
  S  S11  1  0.811  0.000  0.335  1.0
  S  S12  1  0.500  0.689  0.835  1.0
  S  S13  1  0.500  0.311  0.835  1.0
  S  S14  1  0.000  0.500  0.978  1.0
  S  S15  1  0.000  0.500  0.478  1.0
  S  S16  1  0.500  0.000  0.522  1.0
  S  S17  1  0.500  0.000  0.022  1.0
[/CIF]
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The crystal structure described by Ba2US6 crystallizes in the tetragonal P4_2/nmc space group. Ba(1) is bonded in a 10-coordinate geometry to four equivalent S(2) and six equivalent S(1) atoms. U(1) is bonded to four equivalent S(1) and four equivalent S(2) atoms to form distorted US8 hexagonal bipyramids that share corners with four equivalent U(1)S8 hexagonal bipyramids and corners with four equivalent S(1)Ba3US trigonal bipyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Ba(1), one U(1), and one S(1) atom to form distorted SBa3US trigonal bipyramids that share  a cornercorner with one U(1)S8 hexagonal bipyramid, corners with ten equivalent S(1)Ba3US trigonal bipyramids, and edges with four equivalent S(1)Ba3US trigonal bipyramids. In the second S site, S(2) is bonded in a 6-coordinate geometry to four equivalent Ba(1) and two equivalent U(1) atoms. is represented by the CIF file [CIF]
data_Ba2US6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.471
_cell_length_b   5.471
_cell_length_c   15.953
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   477.510
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.000  0.000  0.134  1.0
  Ba  Ba1  1  0.500  0.500  0.634  1.0
  Ba  Ba2  1  0.500  0.500  0.366  1.0
  Ba  Ba3  1  0.000  0.000  0.866  1.0
  U  U4  1  0.000  0.000  0.500  1.0
  U  U5  1  0.500  0.500  0.000  1.0
  S  S6  1  0.311  0.500  0.165  1.0
  S  S7  1  0.689  0.500  0.165  1.0
  S  S8  1  0.000  0.811  0.665  1.0
  S  S9  1  0.000  0.189  0.665  1.0
  S  S10  1  0.189  0.000  0.335  1.0
  S  S11  1  0.811  0.000  0.335  1.0
  S  S12  1  0.500  0.689  0.835  1.0
  S  S13  1  0.500  0.311  0.835  1.0
  S  S14  1  0.000  0.500  0.978  1.0
  S  S15  1  0.000  0.500  0.478  1.0
  S  S16  1  0.500  0.000  0.522  1.0
  S  S17  1  0.500  0.000  0.022  1.0
[/CIF]
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