The material structure described by Li2UCl6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-31m space group. Li(1) is bonded to six equivalent Cl(1) atoms to form LiCl6 octahedra that share corners with six equivalent U(1)Cl6 octahedra and edges with three equivalent Li(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 49°. U(1) is bonded to six equivalent Cl(1) atoms to form UCl6 octahedra that share corners with twelve equivalent Li(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 49°. Cl(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one U(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2UCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.381
_cell_length_b   6.381
_cell_length_c   5.981
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   210.918
_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
  Li  Li0  1  0.667  0.333  0.000  1.0
  Li  Li1  1  0.333  0.667  0.000  1.0
  U  U2  1  0.000  0.000  0.500  1.0
  Cl  Cl3  1  0.000  0.665  0.242  1.0
  Cl  Cl4  1  0.000  0.335  0.758  1.0
  Cl  Cl5  1  0.665  0.000  0.242  1.0
  Cl  Cl6  1  0.665  0.665  0.758  1.0
  Cl  Cl7  1  0.335  0.335  0.242  1.0
  Cl  Cl8  1  0.335  0.000  0.758  1.0
[/CIF]
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The material structure described by Li2UCl6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-31m space group. Li(1) is bonded to six equivalent Cl(1) atoms to form LiCl6 octahedra that share corners with six equivalent U(1)Cl6 octahedra and edges with three equivalent Li(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 49°. U(1) is bonded to six equivalent Cl(1) atoms to form UCl6 octahedra that share corners with twelve equivalent Li(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 49°. Cl(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one U(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2UCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.381
_cell_length_b   6.381
_cell_length_c   5.981
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   210.918
_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
  Li  Li0  1  0.667  0.333  0.000  1.0
  Li  Li1  1  0.333  0.667  0.000  1.0
  U  U2  1  0.000  0.000  0.500  1.0
  Cl  Cl3  1  0.000  0.665  0.242  1.0
  Cl  Cl4  1  0.000  0.335  0.758  1.0
  Cl  Cl5  1  0.665  0.000  0.242  1.0
  Cl  Cl6  1  0.665  0.665  0.758  1.0
  Cl  Cl7  1  0.335  0.335  0.242  1.0
  Cl  Cl8  1  0.335  0.000  0.758  1.0
[/CIF]
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