The crystal structure described by TbCl3 crystallizes in the tetragonal P4_2/mnm space group. Tb(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form a mixture of corner and edge-sharing TbCl6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Tb(1) atoms. In the second Cl site, Cl(2) is bonded in a water-like geometry to two equivalent Tb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.415
_cell_length_b   6.415
_cell_length_c   11.693
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   481.176
_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
  Tb  Tb0  1  0.000  0.000  0.672  1.0
  Tb  Tb1  1  0.000  0.000  0.328  1.0
  Tb  Tb2  1  0.500  0.500  0.828  1.0
  Tb  Tb3  1  0.500  0.500  0.172  1.0
  Cl  Cl4  1  0.793  0.207  0.831  1.0
  Cl  Cl5  1  0.192  0.808  0.500  1.0
  Cl  Cl6  1  0.707  0.707  0.331  1.0
  Cl  Cl7  1  0.808  0.192  0.500  1.0
  Cl  Cl8  1  0.207  0.793  0.169  1.0
  Cl  Cl9  1  0.293  0.293  0.669  1.0
  Cl  Cl10  1  0.207  0.793  0.831  1.0
  Cl  Cl11  1  0.793  0.207  0.169  1.0
  Cl  Cl12  1  0.308  0.308  0.000  1.0
  Cl  Cl13  1  0.293  0.293  0.331  1.0
  Cl  Cl14  1  0.692  0.692  0.000  1.0
  Cl  Cl15  1  0.707  0.707  0.669  1.0
[/CIF]
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The crystal structure described by TbCl3 crystallizes in the tetragonal P4_2/mnm space group. Tb(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form a mixture of corner and edge-sharing TbCl6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Tb(1) atoms. In the second Cl site, Cl(2) is bonded in a water-like geometry to two equivalent Tb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.415
_cell_length_b   6.415
_cell_length_c   11.693
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   481.176
_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
  Tb  Tb0  1  0.000  0.000  0.672  1.0
  Tb  Tb1  1  0.000  0.000  0.328  1.0
  Tb  Tb2  1  0.500  0.500  0.828  1.0
  Tb  Tb3  1  0.500  0.500  0.172  1.0
  Cl  Cl4  1  0.793  0.207  0.831  1.0
  Cl  Cl5  1  0.192  0.808  0.500  1.0
  Cl  Cl6  1  0.707  0.707  0.331  1.0
  Cl  Cl7  1  0.808  0.192  0.500  1.0
  Cl  Cl8  1  0.207  0.793  0.169  1.0
  Cl  Cl9  1  0.293  0.293  0.669  1.0
  Cl  Cl10  1  0.207  0.793  0.831  1.0
  Cl  Cl11  1  0.793  0.207  0.169  1.0
  Cl  Cl12  1  0.308  0.308  0.000  1.0
  Cl  Cl13  1  0.293  0.293  0.331  1.0
  Cl  Cl14  1  0.692  0.692  0.000  1.0
  Cl  Cl15  1  0.707  0.707  0.669  1.0
[/CIF]
.