The material described by CsFeCl4 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 10-coordinate geometry to one Cl(2), three equivalent Cl(3), and six equivalent Cl(1) atoms. Fe(1) is bonded in a tetrahedral geometry to one Cl(2), one Cl(3), and two equivalent Cl(1) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Fe(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Cs(1) and one Fe(1) atom. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Fe(1) atom. is represented by the CIF file [CIF]
data_CsFeCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.140
_cell_length_b   9.496
_cell_length_c   11.745
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   796.298
_cell_formula_units_Z   4
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  0.250  0.335  0.681  1.0
  Cs  Cs1  1  0.750  0.665  0.319  1.0
  Cs  Cs2  1  0.750  0.835  0.819  1.0
  Cs  Cs3  1  0.250  0.165  0.181  1.0
  Fe  Fe4  1  0.250  0.805  0.569  1.0
  Fe  Fe5  1  0.750  0.195  0.431  1.0
  Fe  Fe6  1  0.750  0.305  0.931  1.0
  Fe  Fe7  1  0.250  0.695  0.069  1.0
  Cl  Cl8  1  0.502  0.331  0.415  1.0
  Cl  Cl9  1  0.002  0.669  0.585  1.0
  Cl  Cl10  1  0.498  0.831  0.085  1.0
  Cl  Cl11  1  0.998  0.169  0.915  1.0
  Cl  Cl12  1  0.498  0.669  0.585  1.0
  Cl  Cl13  1  0.998  0.331  0.415  1.0
  Cl  Cl14  1  0.502  0.169  0.915  1.0
  Cl  Cl15  1  0.002  0.831  0.085  1.0
  Cl  Cl16  1  0.250  0.591  0.903  1.0
  Cl  Cl17  1  0.750  0.409  0.097  1.0
  Cl  Cl18  1  0.750  0.091  0.597  1.0
  Cl  Cl19  1  0.250  0.909  0.403  1.0
  Cl  Cl20  1  0.250  0.547  0.213  1.0
  Cl  Cl21  1  0.750  0.453  0.787  1.0
  Cl  Cl22  1  0.750  0.047  0.287  1.0
  Cl  Cl23  1  0.250  0.953  0.713  1.0
[/CIF]
.
The material described by CsFeCl4 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 10-coordinate geometry to one Cl(2), three equivalent Cl(3), and six equivalent Cl(1) atoms. Fe(1) is bonded in a tetrahedral geometry to one Cl(2), one Cl(3), and two equivalent Cl(1) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Fe(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Cs(1) and one Fe(1) atom. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Fe(1) atom. is represented by the CIF file [CIF]
data_CsFeCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.140
_cell_length_b   9.496
_cell_length_c   11.745
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   796.298
_cell_formula_units_Z   4
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  0.250  0.335  0.681  1.0
  Cs  Cs1  1  0.750  0.665  0.319  1.0
  Cs  Cs2  1  0.750  0.835  0.819  1.0
  Cs  Cs3  1  0.250  0.165  0.181  1.0
  Fe  Fe4  1  0.250  0.805  0.569  1.0
  Fe  Fe5  1  0.750  0.195  0.431  1.0
  Fe  Fe6  1  0.750  0.305  0.931  1.0
  Fe  Fe7  1  0.250  0.695  0.069  1.0
  Cl  Cl8  1  0.502  0.331  0.415  1.0
  Cl  Cl9  1  0.002  0.669  0.585  1.0
  Cl  Cl10  1  0.498  0.831  0.085  1.0
  Cl  Cl11  1  0.998  0.169  0.915  1.0
  Cl  Cl12  1  0.498  0.669  0.585  1.0
  Cl  Cl13  1  0.998  0.331  0.415  1.0
  Cl  Cl14  1  0.502  0.169  0.915  1.0
  Cl  Cl15  1  0.002  0.831  0.085  1.0
  Cl  Cl16  1  0.250  0.591  0.903  1.0
  Cl  Cl17  1  0.750  0.409  0.097  1.0
  Cl  Cl18  1  0.750  0.091  0.597  1.0
  Cl  Cl19  1  0.250  0.909  0.403  1.0
  Cl  Cl20  1  0.250  0.547  0.213  1.0
  Cl  Cl21  1  0.750  0.453  0.787  1.0
  Cl  Cl22  1  0.750  0.047  0.287  1.0
  Cl  Cl23  1  0.250  0.953  0.713  1.0
[/CIF]
.