The material described by Cs(WCl3)3 crystallizes in the trigonal P-3 space group. Cs(1) is bonded in a 6-coordinate geometry to six equivalent Cl(1) atoms. W(1) is bonded to one Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form distorted corner-sharing WCl5 square pyramids. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cs(1) and one W(1) atom. In the second Cl site, Cl(2) is bonded in a 2-coordinate geometry to two equivalent W(1) atoms. In the third Cl site, Cl(3) is bonded in a 2-coordinate geometry to two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs(WCl3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.602
_cell_length_b   9.602
_cell_length_c   8.538
_cell_angle_alpha   90.000
_cell_angle_beta   90.002
_cell_angle_gamma   119.993
_symmetry_Int_Tables_number   1
_cell_volume   681.787
_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  0.667  0.333  0.416  1.0
  Cs  Cs1  1  0.333  0.667  0.584  1.0
  W  W2  1  0.168  0.193  0.129  1.0
  W  W3  1  0.193  0.025  0.871  1.0
  W  W4  1  0.975  0.168  0.871  1.0
  W  W5  1  0.025  0.832  0.129  1.0
  W  W6  1  0.832  0.807  0.871  1.0
  W  W7  1  0.807  0.975  0.129  1.0
  Cl  Cl8  1  0.641  0.589  0.698  1.0
  Cl  Cl9  1  0.052  0.641  0.302  1.0
  Cl  Cl10  1  0.838  0.587  0.999  1.0
  Cl  Cl11  1  0.589  0.948  0.302  1.0
  Cl  Cl12  1  0.412  0.250  0.999  1.0
  Cl  Cl13  1  0.588  0.750  0.001  1.0
  Cl  Cl14  1  0.973  0.185  0.312  1.0
  Cl  Cl15  1  0.815  0.787  0.312  1.0
  Cl  Cl16  1  0.750  0.162  0.999  1.0
  Cl  Cl17  1  0.250  0.838  0.001  1.0
  Cl  Cl18  1  0.185  0.213  0.688  1.0
  Cl  Cl19  1  0.027  0.815  0.688  1.0
  Cl  Cl20  1  0.787  0.973  0.688  1.0
  Cl  Cl21  1  0.213  0.027  0.312  1.0
  Cl  Cl22  1  0.162  0.413  0.001  1.0
  Cl  Cl23  1  0.948  0.359  0.698  1.0
  Cl  Cl24  1  0.359  0.411  0.302  1.0
  Cl  Cl25  1  0.411  0.052  0.698  1.0
[/CIF]
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The material described by Cs(WCl3)3 crystallizes in the trigonal P-3 space group. Cs(1) is bonded in a 6-coordinate geometry to six equivalent Cl(1) atoms. W(1) is bonded to one Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form distorted corner-sharing WCl5 square pyramids. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cs(1) and one W(1) atom. In the second Cl site, Cl(2) is bonded in a 2-coordinate geometry to two equivalent W(1) atoms. In the third Cl site, Cl(3) is bonded in a 2-coordinate geometry to two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs(WCl3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.602
_cell_length_b   9.602
_cell_length_c   8.538
_cell_angle_alpha   90.000
_cell_angle_beta   90.002
_cell_angle_gamma   119.993
_symmetry_Int_Tables_number   1
_cell_volume   681.787
_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  0.667  0.333  0.416  1.0
  Cs  Cs1  1  0.333  0.667  0.584  1.0
  W  W2  1  0.168  0.193  0.129  1.0
  W  W3  1  0.193  0.025  0.871  1.0
  W  W4  1  0.975  0.168  0.871  1.0
  W  W5  1  0.025  0.832  0.129  1.0
  W  W6  1  0.832  0.807  0.871  1.0
  W  W7  1  0.807  0.975  0.129  1.0
  Cl  Cl8  1  0.641  0.589  0.698  1.0
  Cl  Cl9  1  0.052  0.641  0.302  1.0
  Cl  Cl10  1  0.838  0.587  0.999  1.0
  Cl  Cl11  1  0.589  0.948  0.302  1.0
  Cl  Cl12  1  0.412  0.250  0.999  1.0
  Cl  Cl13  1  0.588  0.750  0.001  1.0
  Cl  Cl14  1  0.973  0.185  0.312  1.0
  Cl  Cl15  1  0.815  0.787  0.312  1.0
  Cl  Cl16  1  0.750  0.162  0.999  1.0
  Cl  Cl17  1  0.250  0.838  0.001  1.0
  Cl  Cl18  1  0.185  0.213  0.688  1.0
  Cl  Cl19  1  0.027  0.815  0.688  1.0
  Cl  Cl20  1  0.787  0.973  0.688  1.0
  Cl  Cl21  1  0.213  0.027  0.312  1.0
  Cl  Cl22  1  0.162  0.413  0.001  1.0
  Cl  Cl23  1  0.948  0.359  0.698  1.0
  Cl  Cl24  1  0.359  0.411  0.302  1.0
  Cl  Cl25  1  0.411  0.052  0.698  1.0
[/CIF]
.