The crystal structure described by CsWCl6 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded to four equivalent Cl(1), four equivalent Cl(2), and four equivalent Cl(3) atoms to form CsCl12 cuboctahedra that share corners with four equivalent Cs(1)Cl12 cuboctahedra, corners with two equivalent W(1)Cl6 octahedra, edges with four equivalent Cs(1)Cl12 cuboctahedra, edges with two equivalent W(1)Cl6 octahedra, and faces with two equivalent W(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 46°. W(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form WCl6 octahedra that share corners with two equivalent Cs(1)Cl12 cuboctahedra, edges with two equivalent Cs(1)Cl12 cuboctahedra, and faces with two equivalent Cs(1)Cl12 cuboctahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one W(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one W(1) atom. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsWCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.866
_cell_length_b   6.867
_cell_length_c   12.452
_cell_angle_alpha   79.065
_cell_angle_beta   79.066
_cell_angle_gamma   55.985
_symmetry_Int_Tables_number   1
_cell_volume   475.315
_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
  Cs  Cs0  1  0.115  0.885  0.250  1.0
  Cs  Cs1  1  0.885  0.115  0.750  1.0
  W  W2  1  0.000  0.500  0.000  1.0
  W  W3  1  0.500  0.000  0.500  1.0
  Cl  Cl4  1  0.199  0.372  0.158  1.0
  Cl  Cl5  1  0.628  0.801  0.342  1.0
  Cl  Cl6  1  0.801  0.628  0.842  1.0
  Cl  Cl7  1  0.372  0.199  0.658  1.0
  Cl  Cl8  1  0.796  0.891  0.040  1.0
  Cl  Cl9  1  0.109  0.204  0.460  1.0
  Cl  Cl10  1  0.204  0.109  0.960  1.0
  Cl  Cl11  1  0.891  0.796  0.540  1.0
  Cl  Cl12  1  0.699  0.464  0.102  1.0
  Cl  Cl13  1  0.536  0.301  0.398  1.0
  Cl  Cl14  1  0.301  0.536  0.898  1.0
  Cl  Cl15  1  0.464  0.699  0.602  1.0
[/CIF]
.
The crystal structure described by CsWCl6 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded to four equivalent Cl(1), four equivalent Cl(2), and four equivalent Cl(3) atoms to form CsCl12 cuboctahedra that share corners with four equivalent Cs(1)Cl12 cuboctahedra, corners with two equivalent W(1)Cl6 octahedra, edges with four equivalent Cs(1)Cl12 cuboctahedra, edges with two equivalent W(1)Cl6 octahedra, and faces with two equivalent W(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 46°. W(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form WCl6 octahedra that share corners with two equivalent Cs(1)Cl12 cuboctahedra, edges with two equivalent Cs(1)Cl12 cuboctahedra, and faces with two equivalent Cs(1)Cl12 cuboctahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one W(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one W(1) atom. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsWCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.866
_cell_length_b   6.867
_cell_length_c   12.452
_cell_angle_alpha   79.065
_cell_angle_beta   79.066
_cell_angle_gamma   55.985
_symmetry_Int_Tables_number   1
_cell_volume   475.315
_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
  Cs  Cs0  1  0.115  0.885  0.250  1.0
  Cs  Cs1  1  0.885  0.115  0.750  1.0
  W  W2  1  0.000  0.500  0.000  1.0
  W  W3  1  0.500  0.000  0.500  1.0
  Cl  Cl4  1  0.199  0.372  0.158  1.0
  Cl  Cl5  1  0.628  0.801  0.342  1.0
  Cl  Cl6  1  0.801  0.628  0.842  1.0
  Cl  Cl7  1  0.372  0.199  0.658  1.0
  Cl  Cl8  1  0.796  0.891  0.040  1.0
  Cl  Cl9  1  0.109  0.204  0.460  1.0
  Cl  Cl10  1  0.204  0.109  0.960  1.0
  Cl  Cl11  1  0.891  0.796  0.540  1.0
  Cl  Cl12  1  0.699  0.464  0.102  1.0
  Cl  Cl13  1  0.536  0.301  0.398  1.0
  Cl  Cl14  1  0.301  0.536  0.898  1.0
  Cl  Cl15  1  0.464  0.699  0.602  1.0
[/CIF]
.