The crystal structure described by Cs2ZnCl4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to one Cl(1), three equivalent Cl(2), and four equivalent Cl(3) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to two equivalent Cl(2), three equivalent Cl(1), and four equivalent Cl(3) atoms. Zn(1) is bonded in a tetrahedral geometry to one Cl(1), one Cl(2), and two equivalent Cl(3) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Cs(1), three equivalent Cs(2), and one Zn(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to two equivalent Cs(2), three equivalent Cs(1), and one Zn(1) atom. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Zn(1) atom. is represented by the CIF file [CIF]
data_Cs2ZnCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.413
_cell_length_b   9.791
_cell_length_c   13.027
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   945.447
_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  0.750  0.137  0.095  1.0
  Cs  Cs1  1  0.250  0.863  0.905  1.0
  Cs  Cs2  1  0.750  0.637  0.405  1.0
  Cs  Cs3  1  0.250  0.363  0.595  1.0
  Cs  Cs4  1  0.750  0.482  0.825  1.0
  Cs  Cs5  1  0.250  0.518  0.175  1.0
  Cs  Cs6  1  0.750  0.982  0.675  1.0
  Cs  Cs7  1  0.250  0.018  0.325  1.0
  Zn  Zn8  1  0.750  0.734  0.078  1.0
  Zn  Zn9  1  0.250  0.266  0.922  1.0
  Zn  Zn10  1  0.750  0.234  0.422  1.0
  Zn  Zn11  1  0.250  0.766  0.578  1.0
  Cl  Cl12  1  0.750  0.504  0.095  1.0
  Cl  Cl13  1  0.250  0.496  0.905  1.0
  Cl  Cl14  1  0.750  0.004  0.405  1.0
  Cl  Cl15  1  0.250  0.996  0.595  1.0
  Cl  Cl16  1  0.750  0.816  0.915  1.0
  Cl  Cl17  1  0.250  0.184  0.085  1.0
  Cl  Cl18  1  0.750  0.316  0.585  1.0
  Cl  Cl19  1  0.250  0.684  0.415  1.0
  Cl  Cl20  1  0.501  0.822  0.154  1.0
  Cl  Cl21  1  0.001  0.178  0.846  1.0
  Cl  Cl22  1  0.999  0.322  0.346  1.0
  Cl  Cl23  1  0.499  0.678  0.654  1.0
  Cl  Cl24  1  0.499  0.178  0.846  1.0
  Cl  Cl25  1  0.999  0.822  0.154  1.0
  Cl  Cl26  1  0.001  0.678  0.654  1.0
  Cl  Cl27  1  0.501  0.322  0.346  1.0
[/CIF]
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The crystal structure described by Cs2ZnCl4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to one Cl(1), three equivalent Cl(2), and four equivalent Cl(3) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to two equivalent Cl(2), three equivalent Cl(1), and four equivalent Cl(3) atoms. Zn(1) is bonded in a tetrahedral geometry to one Cl(1), one Cl(2), and two equivalent Cl(3) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Cs(1), three equivalent Cs(2), and one Zn(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to two equivalent Cs(2), three equivalent Cs(1), and one Zn(1) atom. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Zn(1) atom. is represented by the CIF file [CIF]
data_Cs2ZnCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.413
_cell_length_b   9.791
_cell_length_c   13.027
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   945.447
_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  0.750  0.137  0.095  1.0
  Cs  Cs1  1  0.250  0.863  0.905  1.0
  Cs  Cs2  1  0.750  0.637  0.405  1.0
  Cs  Cs3  1  0.250  0.363  0.595  1.0
  Cs  Cs4  1  0.750  0.482  0.825  1.0
  Cs  Cs5  1  0.250  0.518  0.175  1.0
  Cs  Cs6  1  0.750  0.982  0.675  1.0
  Cs  Cs7  1  0.250  0.018  0.325  1.0
  Zn  Zn8  1  0.750  0.734  0.078  1.0
  Zn  Zn9  1  0.250  0.266  0.922  1.0
  Zn  Zn10  1  0.750  0.234  0.422  1.0
  Zn  Zn11  1  0.250  0.766  0.578  1.0
  Cl  Cl12  1  0.750  0.504  0.095  1.0
  Cl  Cl13  1  0.250  0.496  0.905  1.0
  Cl  Cl14  1  0.750  0.004  0.405  1.0
  Cl  Cl15  1  0.250  0.996  0.595  1.0
  Cl  Cl16  1  0.750  0.816  0.915  1.0
  Cl  Cl17  1  0.250  0.184  0.085  1.0
  Cl  Cl18  1  0.750  0.316  0.585  1.0
  Cl  Cl19  1  0.250  0.684  0.415  1.0
  Cl  Cl20  1  0.501  0.822  0.154  1.0
  Cl  Cl21  1  0.001  0.178  0.846  1.0
  Cl  Cl22  1  0.999  0.322  0.346  1.0
  Cl  Cl23  1  0.499  0.678  0.654  1.0
  Cl  Cl24  1  0.499  0.178  0.846  1.0
  Cl  Cl25  1  0.999  0.822  0.154  1.0
  Cl  Cl26  1  0.001  0.678  0.654  1.0
  Cl  Cl27  1  0.501  0.322  0.346  1.0
[/CIF]
.