The crystal structure described by Cs2CoCl4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to one Cl(1), two 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. Co(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 Co(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Co(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 Co(1) atom. is represented by the CIF card [CIF]
data_Cs2CoCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.376
_cell_length_b   9.823
_cell_length_c   12.950
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   938.309
_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  0.861  0.598  1.0
  Cs  Cs1  1  0.250  0.361  0.902  1.0
  Cs  Cs2  1  0.750  0.139  0.402  1.0
  Cs  Cs3  1  0.750  0.639  0.098  1.0
  Cs  Cs4  1  0.250  0.521  0.326  1.0
  Cs  Cs5  1  0.250  0.021  0.174  1.0
  Cs  Cs6  1  0.750  0.479  0.674  1.0
  Cs  Cs7  1  0.750  0.979  0.826  1.0
  Co  Co8  1  0.250  0.265  0.578  1.0
  Co  Co9  1  0.250  0.765  0.922  1.0
  Co  Co10  1  0.750  0.735  0.422  1.0
  Co  Co11  1  0.750  0.235  0.078  1.0
  Cl  Cl12  1  0.250  0.493  0.599  1.0
  Cl  Cl13  1  0.250  0.993  0.901  1.0
  Cl  Cl14  1  0.750  0.507  0.401  1.0
  Cl  Cl15  1  0.750  0.007  0.099  1.0
  Cl  Cl16  1  0.250  0.188  0.414  1.0
  Cl  Cl17  1  0.250  0.688  0.086  1.0
  Cl  Cl18  1  0.750  0.812  0.586  1.0
  Cl  Cl19  1  0.750  0.312  0.914  1.0
  Cl  Cl20  1  0.498  0.177  0.652  1.0
  Cl  Cl21  1  0.002  0.677  0.848  1.0
  Cl  Cl22  1  0.998  0.823  0.348  1.0
  Cl  Cl23  1  0.502  0.323  0.152  1.0
  Cl  Cl24  1  0.502  0.823  0.348  1.0
  Cl  Cl25  1  0.998  0.323  0.152  1.0
  Cl  Cl26  1  0.002  0.177  0.652  1.0
  Cl  Cl27  1  0.498  0.677  0.848  1.0
[/CIF]
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The crystal structure described by Cs2CoCl4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to one Cl(1), two 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. Co(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 Co(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Co(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 Co(1) atom. is represented by the CIF card [CIF]
data_Cs2CoCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.376
_cell_length_b   9.823
_cell_length_c   12.950
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   938.309
_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  0.861  0.598  1.0
  Cs  Cs1  1  0.250  0.361  0.902  1.0
  Cs  Cs2  1  0.750  0.139  0.402  1.0
  Cs  Cs3  1  0.750  0.639  0.098  1.0
  Cs  Cs4  1  0.250  0.521  0.326  1.0
  Cs  Cs5  1  0.250  0.021  0.174  1.0
  Cs  Cs6  1  0.750  0.479  0.674  1.0
  Cs  Cs7  1  0.750  0.979  0.826  1.0
  Co  Co8  1  0.250  0.265  0.578  1.0
  Co  Co9  1  0.250  0.765  0.922  1.0
  Co  Co10  1  0.750  0.735  0.422  1.0
  Co  Co11  1  0.750  0.235  0.078  1.0
  Cl  Cl12  1  0.250  0.493  0.599  1.0
  Cl  Cl13  1  0.250  0.993  0.901  1.0
  Cl  Cl14  1  0.750  0.507  0.401  1.0
  Cl  Cl15  1  0.750  0.007  0.099  1.0
  Cl  Cl16  1  0.250  0.188  0.414  1.0
  Cl  Cl17  1  0.250  0.688  0.086  1.0
  Cl  Cl18  1  0.750  0.812  0.586  1.0
  Cl  Cl19  1  0.750  0.312  0.914  1.0
  Cl  Cl20  1  0.498  0.177  0.652  1.0
  Cl  Cl21  1  0.002  0.677  0.848  1.0
  Cl  Cl22  1  0.998  0.823  0.348  1.0
  Cl  Cl23  1  0.502  0.323  0.152  1.0
  Cl  Cl24  1  0.502  0.823  0.348  1.0
  Cl  Cl25  1  0.998  0.323  0.152  1.0
  Cl  Cl26  1  0.002  0.177  0.652  1.0
  Cl  Cl27  1  0.498  0.677  0.848  1.0
[/CIF]
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