The crystal structure described by K2TbCl5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to two equivalent Cl(1), two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(4) atoms. Tb(1) is bonded to one Cl(1), one Cl(3), one Cl(4), and four equivalent Cl(2) atoms to form distorted edge-sharing TbCl7 pentagonal bipyramids. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Tb(1) atom. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Tb(1) atoms. In the third Cl site, Cl(3) is bonded to four equivalent K(1) and one Tb(1) atom to form a mixture of distorted edge, face, and corner-sharing ClK4Tb trigonal bipyramids. In the fourth Cl site, Cl(4) is bonded to four equivalent K(1) and one Tb(1) atom to form a mixture of distorted edge, face, and corner-sharing ClK4Tb trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2TbCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.935
_cell_length_b   8.563
_cell_length_c   12.674
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   861.118
_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
  K  K0  1  0.947  0.004  0.828  1.0
  K  K1  1  0.053  0.996  0.172  1.0
  K  K2  1  0.447  0.996  0.672  1.0
  K  K3  1  0.053  0.504  0.172  1.0
  K  K4  1  0.553  0.004  0.328  1.0
  K  K5  1  0.947  0.496  0.828  1.0
  K  K6  1  0.553  0.496  0.328  1.0
  K  K7  1  0.447  0.504  0.672  1.0
  Tb  Tb8  1  0.925  0.750  0.505  1.0
  Tb  Tb9  1  0.075  0.250  0.495  1.0
  Tb  Tb10  1  0.425  0.250  0.995  1.0
  Tb  Tb11  1  0.575  0.750  0.005  1.0
  Cl  Cl12  1  0.122  0.750  0.677  1.0
  Cl  Cl13  1  0.878  0.250  0.323  1.0
  Cl  Cl14  1  0.622  0.250  0.823  1.0
  Cl  Cl15  1  0.378  0.750  0.177  1.0
  Cl  Cl16  1  0.837  0.043  0.575  1.0
  Cl  Cl17  1  0.163  0.957  0.425  1.0
  Cl  Cl18  1  0.337  0.957  0.925  1.0
  Cl  Cl19  1  0.163  0.543  0.425  1.0
  Cl  Cl20  1  0.663  0.043  0.075  1.0
  Cl  Cl21  1  0.837  0.457  0.575  1.0
  Cl  Cl22  1  0.663  0.457  0.075  1.0
  Cl  Cl23  1  0.337  0.543  0.925  1.0
  Cl  Cl24  1  0.583  0.750  0.510  1.0
  Cl  Cl25  1  0.417  0.250  0.490  1.0
  Cl  Cl26  1  0.083  0.250  0.990  1.0
  Cl  Cl27  1  0.917  0.750  0.010  1.0
  Cl  Cl28  1  0.660  0.750  0.799  1.0
  Cl  Cl29  1  0.340  0.250  0.201  1.0
  Cl  Cl30  1  0.160  0.250  0.701  1.0
  Cl  Cl31  1  0.840  0.750  0.299  1.0
[/CIF]
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The crystal structure described by K2TbCl5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to two equivalent Cl(1), two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(4) atoms. Tb(1) is bonded to one Cl(1), one Cl(3), one Cl(4), and four equivalent Cl(2) atoms to form distorted edge-sharing TbCl7 pentagonal bipyramids. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Tb(1) atom. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Tb(1) atoms. In the third Cl site, Cl(3) is bonded to four equivalent K(1) and one Tb(1) atom to form a mixture of distorted edge, face, and corner-sharing ClK4Tb trigonal bipyramids. In the fourth Cl site, Cl(4) is bonded to four equivalent K(1) and one Tb(1) atom to form a mixture of distorted edge, face, and corner-sharing ClK4Tb trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2TbCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.935
_cell_length_b   8.563
_cell_length_c   12.674
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   861.118
_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
  K  K0  1  0.947  0.004  0.828  1.0
  K  K1  1  0.053  0.996  0.172  1.0
  K  K2  1  0.447  0.996  0.672  1.0
  K  K3  1  0.053  0.504  0.172  1.0
  K  K4  1  0.553  0.004  0.328  1.0
  K  K5  1  0.947  0.496  0.828  1.0
  K  K6  1  0.553  0.496  0.328  1.0
  K  K7  1  0.447  0.504  0.672  1.0
  Tb  Tb8  1  0.925  0.750  0.505  1.0
  Tb  Tb9  1  0.075  0.250  0.495  1.0
  Tb  Tb10  1  0.425  0.250  0.995  1.0
  Tb  Tb11  1  0.575  0.750  0.005  1.0
  Cl  Cl12  1  0.122  0.750  0.677  1.0
  Cl  Cl13  1  0.878  0.250  0.323  1.0
  Cl  Cl14  1  0.622  0.250  0.823  1.0
  Cl  Cl15  1  0.378  0.750  0.177  1.0
  Cl  Cl16  1  0.837  0.043  0.575  1.0
  Cl  Cl17  1  0.163  0.957  0.425  1.0
  Cl  Cl18  1  0.337  0.957  0.925  1.0
  Cl  Cl19  1  0.163  0.543  0.425  1.0
  Cl  Cl20  1  0.663  0.043  0.075  1.0
  Cl  Cl21  1  0.837  0.457  0.575  1.0
  Cl  Cl22  1  0.663  0.457  0.075  1.0
  Cl  Cl23  1  0.337  0.543  0.925  1.0
  Cl  Cl24  1  0.583  0.750  0.510  1.0
  Cl  Cl25  1  0.417  0.250  0.490  1.0
  Cl  Cl26  1  0.083  0.250  0.990  1.0
  Cl  Cl27  1  0.917  0.750  0.010  1.0
  Cl  Cl28  1  0.660  0.750  0.799  1.0
  Cl  Cl29  1  0.340  0.250  0.201  1.0
  Cl  Cl30  1  0.160  0.250  0.701  1.0
  Cl  Cl31  1  0.840  0.750  0.299  1.0
[/CIF]
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