The material described by LiW6CCl18 crystallizes in the hexagonal P6_3/m space group. Li(1) is bonded to six equivalent Cl(2) atoms to form LiCl6 octahedra that share corners with six equivalent W(1)CCl5 octahedra. The corner-sharing octahedral tilt angles are 46°. W(1) is bonded to one C(1), one Cl(2), one Cl(3), one Cl(4), and two equivalent Cl(1) atoms to form WCCl5 octahedra that share  a cornercorner with one Li(1)Cl6 octahedra, corners with two equivalent W(1)CCl5 octahedra, edges with two equivalent W(1)CCl5 octahedra, and  a faceface with one W(1)CCl5 octahedra. The corner-sharing octahedral tilt angles range from 43-46°. C(1) is bonded in a distorted pentagonal pyramidal geometry to six equivalent W(1) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to two equivalent W(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one W(1) atom. In the third Cl site, Cl(3) is bonded in a 2-coordinate geometry to two equivalent W(1) atoms. In the fourth Cl site, Cl(4) is bonded in a 2-coordinate geometry to two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiW6CCl18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.222
_cell_length_b   9.222
_cell_length_c   17.475
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   1287.031
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  W  W2  1  0.521  0.702  0.167  1.0
  W  W3  1  0.702  0.181  0.667  1.0
  W  W4  1  0.479  0.298  0.667  1.0
  W  W5  1  0.479  0.298  0.833  1.0
  W  W6  1  0.819  0.521  0.667  1.0
  W  W7  1  0.181  0.479  0.167  1.0
  W  W8  1  0.298  0.819  0.333  1.0
  W  W9  1  0.298  0.819  0.167  1.0
  W  W10  1  0.819  0.521  0.833  1.0
  W  W11  1  0.181  0.479  0.333  1.0
  W  W12  1  0.702  0.181  0.833  1.0
  W  W13  1  0.521  0.702  0.333  1.0
  C  C14  1  0.667  0.333  0.750  1.0
  C  C15  1  0.333  0.667  0.250  1.0
  Cl  Cl16  1  0.377  0.477  0.422  1.0
  Cl  Cl17  1  0.226  0.249  0.598  1.0
  Cl  Cl18  1  0.751  0.976  0.902  1.0
  Cl  Cl19  1  0.209  0.281  0.250  1.0
  Cl  Cl20  1  0.377  0.477  0.078  1.0
  Cl  Cl21  1  0.579  0.522  0.250  1.0
  Cl  Cl22  1  0.522  0.944  0.750  1.0
  Cl  Cl23  1  0.623  0.523  0.578  1.0
  Cl  Cl24  1  0.774  0.751  0.402  1.0
  Cl  Cl25  1  0.900  0.377  0.922  1.0
  Cl  Cl26  1  0.421  0.478  0.750  1.0
  Cl  Cl27  1  0.928  0.209  0.750  1.0
  Cl  Cl28  1  0.100  0.623  0.422  1.0
  Cl  Cl29  1  0.523  0.900  0.078  1.0
  Cl  Cl30  1  0.056  0.579  0.750  1.0
  Cl  Cl31  1  0.249  0.024  0.402  1.0
  Cl  Cl32  1  0.024  0.774  0.902  1.0
  Cl  Cl33  1  0.791  0.719  0.750  1.0
  Cl  Cl34  1  0.249  0.024  0.098  1.0
  Cl  Cl35  1  0.072  0.791  0.250  1.0
  Cl  Cl36  1  0.478  0.056  0.250  1.0
  Cl  Cl37  1  0.900  0.377  0.578  1.0
  Cl  Cl38  1  0.477  0.100  0.578  1.0
  Cl  Cl39  1  0.024  0.774  0.598  1.0
  Cl  Cl40  1  0.719  0.928  0.250  1.0
  Cl  Cl41  1  0.623  0.523  0.922  1.0
  Cl  Cl42  1  0.976  0.226  0.098  1.0
  Cl  Cl43  1  0.477  0.100  0.922  1.0
  Cl  Cl44  1  0.944  0.421  0.250  1.0
  Cl  Cl45  1  0.751  0.976  0.598  1.0
  Cl  Cl46  1  0.226  0.249  0.902  1.0
  Cl  Cl47  1  0.976  0.226  0.402  1.0
  Cl  Cl48  1  0.774  0.751  0.098  1.0
  Cl  Cl49  1  0.281  0.072  0.750  1.0
  Cl  Cl50  1  0.523  0.900  0.422  1.0
  Cl  Cl51  1  0.100  0.623  0.078  1.0
[/CIF]
.
The material described by LiW6CCl18 crystallizes in the hexagonal P6_3/m space group. Li(1) is bonded to six equivalent Cl(2) atoms to form LiCl6 octahedra that share corners with six equivalent W(1)CCl5 octahedra. The corner-sharing octahedral tilt angles are 46°. W(1) is bonded to one C(1), one Cl(2), one Cl(3), one Cl(4), and two equivalent Cl(1) atoms to form WCCl5 octahedra that share  a cornercorner with one Li(1)Cl6 octahedra, corners with two equivalent W(1)CCl5 octahedra, edges with two equivalent W(1)CCl5 octahedra, and  a faceface with one W(1)CCl5 octahedra. The corner-sharing octahedral tilt angles range from 43-46°. C(1) is bonded in a distorted pentagonal pyramidal geometry to six equivalent W(1) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to two equivalent W(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one W(1) atom. In the third Cl site, Cl(3) is bonded in a 2-coordinate geometry to two equivalent W(1) atoms. In the fourth Cl site, Cl(4) is bonded in a 2-coordinate geometry to two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiW6CCl18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.222
_cell_length_b   9.222
_cell_length_c   17.475
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   1287.031
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  W  W2  1  0.521  0.702  0.167  1.0
  W  W3  1  0.702  0.181  0.667  1.0
  W  W4  1  0.479  0.298  0.667  1.0
  W  W5  1  0.479  0.298  0.833  1.0
  W  W6  1  0.819  0.521  0.667  1.0
  W  W7  1  0.181  0.479  0.167  1.0
  W  W8  1  0.298  0.819  0.333  1.0
  W  W9  1  0.298  0.819  0.167  1.0
  W  W10  1  0.819  0.521  0.833  1.0
  W  W11  1  0.181  0.479  0.333  1.0
  W  W12  1  0.702  0.181  0.833  1.0
  W  W13  1  0.521  0.702  0.333  1.0
  C  C14  1  0.667  0.333  0.750  1.0
  C  C15  1  0.333  0.667  0.250  1.0
  Cl  Cl16  1  0.377  0.477  0.422  1.0
  Cl  Cl17  1  0.226  0.249  0.598  1.0
  Cl  Cl18  1  0.751  0.976  0.902  1.0
  Cl  Cl19  1  0.209  0.281  0.250  1.0
  Cl  Cl20  1  0.377  0.477  0.078  1.0
  Cl  Cl21  1  0.579  0.522  0.250  1.0
  Cl  Cl22  1  0.522  0.944  0.750  1.0
  Cl  Cl23  1  0.623  0.523  0.578  1.0
  Cl  Cl24  1  0.774  0.751  0.402  1.0
  Cl  Cl25  1  0.900  0.377  0.922  1.0
  Cl  Cl26  1  0.421  0.478  0.750  1.0
  Cl  Cl27  1  0.928  0.209  0.750  1.0
  Cl  Cl28  1  0.100  0.623  0.422  1.0
  Cl  Cl29  1  0.523  0.900  0.078  1.0
  Cl  Cl30  1  0.056  0.579  0.750  1.0
  Cl  Cl31  1  0.249  0.024  0.402  1.0
  Cl  Cl32  1  0.024  0.774  0.902  1.0
  Cl  Cl33  1  0.791  0.719  0.750  1.0
  Cl  Cl34  1  0.249  0.024  0.098  1.0
  Cl  Cl35  1  0.072  0.791  0.250  1.0
  Cl  Cl36  1  0.478  0.056  0.250  1.0
  Cl  Cl37  1  0.900  0.377  0.578  1.0
  Cl  Cl38  1  0.477  0.100  0.578  1.0
  Cl  Cl39  1  0.024  0.774  0.598  1.0
  Cl  Cl40  1  0.719  0.928  0.250  1.0
  Cl  Cl41  1  0.623  0.523  0.922  1.0
  Cl  Cl42  1  0.976  0.226  0.098  1.0
  Cl  Cl43  1  0.477  0.100  0.922  1.0
  Cl  Cl44  1  0.944  0.421  0.250  1.0
  Cl  Cl45  1  0.751  0.976  0.598  1.0
  Cl  Cl46  1  0.226  0.249  0.902  1.0
  Cl  Cl47  1  0.976  0.226  0.402  1.0
  Cl  Cl48  1  0.774  0.751  0.098  1.0
  Cl  Cl49  1  0.281  0.072  0.750  1.0
  Cl  Cl50  1  0.523  0.900  0.422  1.0
  Cl  Cl51  1  0.100  0.623  0.078  1.0
[/CIF]
.