The crystal structure described by W6CCl18 is Magnesium structured and crystallizes in the hexagonal P-62c space group. The structure is zero-dimensional and consists of two W6CCl18 clusters. 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 a mixture of distorted edge, face, and corner-sharing WCCl5 octahedra. The corner-sharing octahedral tilt angles are 43°. 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(4) is bonded in a single-bond geometry to one W(1) atom. In the second Cl site, Cl(1) is bonded in a 2-coordinate geometry to two equivalent W(1) atoms. In the third Cl site, Cl(2) is bonded in a distorted L-shaped geometry to two equivalent W(1) atoms. In the fourth Cl site, Cl(3) is bonded in a 2-coordinate geometry to two equivalent W(1) atoms. is represented by the CIF file [CIF]
data_W6CCl18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.106
_cell_length_b   9.105
_cell_length_c   17.834
_cell_angle_alpha   89.998
_cell_angle_beta   90.001
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   1280.515
_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
  W  W0  1  0.508  0.149  0.832  1.0
  W  W1  1  0.851  0.359  0.832  1.0
  W  W2  1  0.641  0.492  0.832  1.0
  W  W3  1  0.492  0.641  0.168  1.0
  W  W4  1  0.641  0.492  0.668  1.0
  W  W5  1  0.508  0.149  0.668  1.0
  W  W6  1  0.851  0.359  0.668  1.0
  W  W7  1  0.149  0.508  0.332  1.0
  W  W8  1  0.359  0.851  0.332  1.0
  W  W9  1  0.359  0.851  0.168  1.0
  W  W10  1  0.149  0.508  0.168  1.0
  W  W11  1  0.492  0.641  0.332  1.0
  C  C12  1  0.667  0.333  0.750  1.0
  C  C13  1  0.333  0.667  0.250  1.0
  Cl  Cl14  1  0.698  0.137  0.921  1.0
  Cl  Cl15  1  0.863  0.561  0.921  1.0
  Cl  Cl16  1  0.439  0.302  0.921  1.0
  Cl  Cl17  1  0.302  0.439  0.079  1.0
  Cl  Cl18  1  0.439  0.302  0.579  1.0
  Cl  Cl19  1  0.698  0.137  0.579  1.0
  Cl  Cl20  1  0.863  0.561  0.579  1.0
  Cl  Cl21  1  0.137  0.698  0.421  1.0
  Cl  Cl22  1  0.561  0.863  0.421  1.0
  Cl  Cl23  1  0.561  0.863  0.079  1.0
  Cl  Cl24  1  0.478  0.422  0.250  1.0
  Cl  Cl25  1  0.944  0.522  0.250  1.0
  Cl  Cl26  1  0.578  0.056  0.250  1.0
  Cl  Cl27  1  0.056  0.578  0.750  1.0
  Cl  Cl28  1  0.522  0.944  0.750  1.0
  Cl  Cl29  1  0.422  0.478  0.750  1.0
  Cl  Cl30  1  0.725  0.829  0.250  1.0
  Cl  Cl31  1  0.103  0.275  0.250  1.0
  Cl  Cl32  1  0.171  0.897  0.250  1.0
  Cl  Cl33  1  0.897  0.171  0.750  1.0
  Cl  Cl34  1  0.275  0.103  0.750  1.0
  Cl  Cl35  1  0.829  0.725  0.750  1.0
  Cl  Cl36  1  0.706  0.608  0.396  1.0
  Cl  Cl37  1  0.903  0.294  0.104  1.0
  Cl  Cl38  1  0.392  0.097  0.104  1.0
  Cl  Cl39  1  0.392  0.097  0.396  1.0
  Cl  Cl40  1  0.903  0.294  0.396  1.0
  Cl  Cl41  1  0.097  0.391  0.604  1.0
  Cl  Cl42  1  0.294  0.903  0.604  1.0
  Cl  Cl43  1  0.608  0.706  0.604  1.0
  Cl  Cl44  1  0.706  0.609  0.104  1.0
  Cl  Cl45  1  0.608  0.706  0.896  1.0
  Cl  Cl46  1  0.097  0.391  0.896  1.0
  Cl  Cl47  1  0.294  0.903  0.896  1.0
  Cl  Cl48  1  0.302  0.439  0.421  1.0
  Cl  Cl49  1  0.137  0.698  0.079  1.0
[/CIF]
.
The crystal structure described by W6CCl18 is Magnesium structured and crystallizes in the hexagonal P-62c space group. The structure is zero-dimensional and consists of two W6CCl18 clusters. 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 a mixture of distorted edge, face, and corner-sharing WCCl5 octahedra. The corner-sharing octahedral tilt angles are 43°. 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(4) is bonded in a single-bond geometry to one W(1) atom. In the second Cl site, Cl(1) is bonded in a 2-coordinate geometry to two equivalent W(1) atoms. In the third Cl site, Cl(2) is bonded in a distorted L-shaped geometry to two equivalent W(1) atoms. In the fourth Cl site, Cl(3) is bonded in a 2-coordinate geometry to two equivalent W(1) atoms. is represented by the CIF file [CIF]
data_W6CCl18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.106
_cell_length_b   9.105
_cell_length_c   17.834
_cell_angle_alpha   89.998
_cell_angle_beta   90.001
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   1280.515
_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
  W  W0  1  0.508  0.149  0.832  1.0
  W  W1  1  0.851  0.359  0.832  1.0
  W  W2  1  0.641  0.492  0.832  1.0
  W  W3  1  0.492  0.641  0.168  1.0
  W  W4  1  0.641  0.492  0.668  1.0
  W  W5  1  0.508  0.149  0.668  1.0
  W  W6  1  0.851  0.359  0.668  1.0
  W  W7  1  0.149  0.508  0.332  1.0
  W  W8  1  0.359  0.851  0.332  1.0
  W  W9  1  0.359  0.851  0.168  1.0
  W  W10  1  0.149  0.508  0.168  1.0
  W  W11  1  0.492  0.641  0.332  1.0
  C  C12  1  0.667  0.333  0.750  1.0
  C  C13  1  0.333  0.667  0.250  1.0
  Cl  Cl14  1  0.698  0.137  0.921  1.0
  Cl  Cl15  1  0.863  0.561  0.921  1.0
  Cl  Cl16  1  0.439  0.302  0.921  1.0
  Cl  Cl17  1  0.302  0.439  0.079  1.0
  Cl  Cl18  1  0.439  0.302  0.579  1.0
  Cl  Cl19  1  0.698  0.137  0.579  1.0
  Cl  Cl20  1  0.863  0.561  0.579  1.0
  Cl  Cl21  1  0.137  0.698  0.421  1.0
  Cl  Cl22  1  0.561  0.863  0.421  1.0
  Cl  Cl23  1  0.561  0.863  0.079  1.0
  Cl  Cl24  1  0.478  0.422  0.250  1.0
  Cl  Cl25  1  0.944  0.522  0.250  1.0
  Cl  Cl26  1  0.578  0.056  0.250  1.0
  Cl  Cl27  1  0.056  0.578  0.750  1.0
  Cl  Cl28  1  0.522  0.944  0.750  1.0
  Cl  Cl29  1  0.422  0.478  0.750  1.0
  Cl  Cl30  1  0.725  0.829  0.250  1.0
  Cl  Cl31  1  0.103  0.275  0.250  1.0
  Cl  Cl32  1  0.171  0.897  0.250  1.0
  Cl  Cl33  1  0.897  0.171  0.750  1.0
  Cl  Cl34  1  0.275  0.103  0.750  1.0
  Cl  Cl35  1  0.829  0.725  0.750  1.0
  Cl  Cl36  1  0.706  0.608  0.396  1.0
  Cl  Cl37  1  0.903  0.294  0.104  1.0
  Cl  Cl38  1  0.392  0.097  0.104  1.0
  Cl  Cl39  1  0.392  0.097  0.396  1.0
  Cl  Cl40  1  0.903  0.294  0.396  1.0
  Cl  Cl41  1  0.097  0.391  0.604  1.0
  Cl  Cl42  1  0.294  0.903  0.604  1.0
  Cl  Cl43  1  0.608  0.706  0.604  1.0
  Cl  Cl44  1  0.706  0.609  0.104  1.0
  Cl  Cl45  1  0.608  0.706  0.896  1.0
  Cl  Cl46  1  0.097  0.391  0.896  1.0
  Cl  Cl47  1  0.294  0.903  0.896  1.0
  Cl  Cl48  1  0.302  0.439  0.421  1.0
  Cl  Cl49  1  0.137  0.698  0.079  1.0
[/CIF]
.