The compound described by Rb2LiVCl6 crystallizes in the trigonal P-3m1 space group. Rb(1) is bonded to twelve equivalent Cl(1) atoms to form RbCl12 cuboctahedra that share corners with six equivalent Rb(1)Cl12 cuboctahedra, corners with three equivalent Li(1)Cl6 octahedra, corners with three equivalent V(1)Cl6 octahedra, faces with eight equivalent Rb(1)Cl12 cuboctahedra, faces with three equivalent Li(1)Cl6 octahedra, and faces with three equivalent V(1)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 14-19°. Li(1) is bonded to six equivalent Cl(1) atoms to form LiCl6 octahedra that share corners with six equivalent Rb(1)Cl12 cuboctahedra, faces with six equivalent Rb(1)Cl12 cuboctahedra, and faces with two equivalent V(1)Cl6 octahedra. V(1) is bonded to six equivalent Cl(1) atoms to form VCl6 octahedra that share corners with six equivalent Rb(1)Cl12 cuboctahedra, faces with six equivalent Rb(1)Cl12 cuboctahedra, and faces with two equivalent Li(1)Cl6 octahedra. Cl(1) is bonded in a 2-coordinate geometry to four equivalent Rb(1), one Li(1), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2LiVCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.125
_cell_length_b   7.125
_cell_length_c   6.076
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   267.143
_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  0.333  0.667  0.243  1.0
  Rb  Rb1  1  0.667  0.333  0.757  1.0
  Li  Li2  1  0.000  0.000  0.000  1.0
  V  V3  1  0.000  0.000  0.500  1.0
  Cl  Cl4  1  0.843  0.157  0.268  1.0
  Cl  Cl5  1  0.157  0.843  0.732  1.0
  Cl  Cl6  1  0.843  0.686  0.268  1.0
  Cl  Cl7  1  0.157  0.314  0.732  1.0
  Cl  Cl8  1  0.314  0.157  0.268  1.0
  Cl  Cl9  1  0.686  0.843  0.732  1.0
[/CIF]
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The compound described by Rb2LiVCl6 crystallizes in the trigonal P-3m1 space group. Rb(1) is bonded to twelve equivalent Cl(1) atoms to form RbCl12 cuboctahedra that share corners with six equivalent Rb(1)Cl12 cuboctahedra, corners with three equivalent Li(1)Cl6 octahedra, corners with three equivalent V(1)Cl6 octahedra, faces with eight equivalent Rb(1)Cl12 cuboctahedra, faces with three equivalent Li(1)Cl6 octahedra, and faces with three equivalent V(1)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 14-19°. Li(1) is bonded to six equivalent Cl(1) atoms to form LiCl6 octahedra that share corners with six equivalent Rb(1)Cl12 cuboctahedra, faces with six equivalent Rb(1)Cl12 cuboctahedra, and faces with two equivalent V(1)Cl6 octahedra. V(1) is bonded to six equivalent Cl(1) atoms to form VCl6 octahedra that share corners with six equivalent Rb(1)Cl12 cuboctahedra, faces with six equivalent Rb(1)Cl12 cuboctahedra, and faces with two equivalent Li(1)Cl6 octahedra. Cl(1) is bonded in a 2-coordinate geometry to four equivalent Rb(1), one Li(1), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2LiVCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.125
_cell_length_b   7.125
_cell_length_c   6.076
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   267.143
_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  0.333  0.667  0.243  1.0
  Rb  Rb1  1  0.667  0.333  0.757  1.0
  Li  Li2  1  0.000  0.000  0.000  1.0
  V  V3  1  0.000  0.000  0.500  1.0
  Cl  Cl4  1  0.843  0.157  0.268  1.0
  Cl  Cl5  1  0.157  0.843  0.732  1.0
  Cl  Cl6  1  0.843  0.686  0.268  1.0
  Cl  Cl7  1  0.157  0.314  0.732  1.0
  Cl  Cl8  1  0.314  0.157  0.268  1.0
  Cl  Cl9  1  0.686  0.843  0.732  1.0
[/CIF]
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