The structure described by TaCl5 is Indium-like structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of six TaCl5 clusters. Ta(1) is bonded to two equivalent Cl(1,8); two equivalent Cl(2,7); and two equivalent Cl(6,9) atoms to form edge-sharing TaCl6 octahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(2,7) is bonded in a single-bond geometry to one Ta(1) atom. In the second Cl site, Cl(1,8) is bonded in a single-bond geometry to one Ta(1) atom. In the third Cl site, Cl(6,9) is bonded in a water-like geometry to two equivalent Ta(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.013
_cell_length_b   13.085
_cell_length_c   13.085
_cell_angle_alpha   87.773
_cell_angle_beta   89.408
_cell_angle_gamma   89.408
_symmetry_Int_Tables_number   1
_cell_volume   1028.700
_cell_formula_units_Z   6
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
  Ta  Ta0  1  0.476  0.224  0.443  1.0
  Ta  Ta1  1  0.524  0.557  0.776  1.0
  Ta  Ta2  1  0.524  0.776  0.557  1.0
  Ta  Ta3  1  0.476  0.443  0.224  1.0
  Ta  Ta4  1  0.000  0.891  0.109  1.0
  Ta  Ta5  1  0.000  0.109  0.891  1.0
  Cl  Cl6  1  0.247  0.335  0.529  1.0
  Cl  Cl7  1  0.753  0.471  0.665  1.0
  Cl  Cl8  1  0.753  0.665  0.471  1.0
  Cl  Cl9  1  0.247  0.529  0.335  1.0
  Cl  Cl10  1  0.710  0.200  0.576  1.0
  Cl  Cl11  1  0.290  0.424  0.800  1.0
  Cl  Cl12  1  0.779  0.050  0.050  1.0
  Cl  Cl13  1  0.221  0.950  0.950  1.0
  Cl  Cl14  1  0.762  0.243  0.866  1.0
  Cl  Cl15  1  0.238  0.134  0.757  1.0
  Cl  Cl16  1  0.238  0.757  0.134  1.0
  Cl  Cl17  1  0.762  0.866  0.243  1.0
  Cl  Cl18  1  0.219  0.196  0.002  1.0
  Cl  Cl19  1  0.781  0.998  0.804  1.0
  Cl  Cl20  1  0.781  0.804  0.998  1.0
  Cl  Cl21  1  0.219  0.002  0.196  1.0
  Cl  Cl22  1  0.260  0.283  0.283  1.0
  Cl  Cl23  1  0.740  0.717  0.717  1.0
  Cl  Cl24  1  0.243  0.467  0.091  1.0
  Cl  Cl25  1  0.757  0.909  0.533  1.0
  Cl  Cl26  1  0.757  0.533  0.909  1.0
  Cl  Cl27  1  0.243  0.091  0.467  1.0
  Cl  Cl28  1  0.705  0.331  0.138  1.0
  Cl  Cl29  1  0.295  0.862  0.669  1.0
  Cl  Cl30  1  0.295  0.669  0.862  1.0
  Cl  Cl31  1  0.705  0.138  0.331  1.0
  Cl  Cl32  1  0.691  0.384  0.384  1.0
  Cl  Cl33  1  0.309  0.616  0.616  1.0
  Cl  Cl34  1  0.710  0.576  0.200  1.0
  Cl  Cl35  1  0.290  0.800  0.424  1.0
[/CIF]
.
The structure described by TaCl5 is Indium-like structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of six TaCl5 clusters. Ta(1) is bonded to two equivalent Cl(1,8); two equivalent Cl(2,7); and two equivalent Cl(6,9) atoms to form edge-sharing TaCl6 octahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(2,7) is bonded in a single-bond geometry to one Ta(1) atom. In the second Cl site, Cl(1,8) is bonded in a single-bond geometry to one Ta(1) atom. In the third Cl site, Cl(6,9) is bonded in a water-like geometry to two equivalent Ta(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.013
_cell_length_b   13.085
_cell_length_c   13.085
_cell_angle_alpha   87.773
_cell_angle_beta   89.408
_cell_angle_gamma   89.408
_symmetry_Int_Tables_number   1
_cell_volume   1028.700
_cell_formula_units_Z   6
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
  Ta  Ta0  1  0.476  0.224  0.443  1.0
  Ta  Ta1  1  0.524  0.557  0.776  1.0
  Ta  Ta2  1  0.524  0.776  0.557  1.0
  Ta  Ta3  1  0.476  0.443  0.224  1.0
  Ta  Ta4  1  0.000  0.891  0.109  1.0
  Ta  Ta5  1  0.000  0.109  0.891  1.0
  Cl  Cl6  1  0.247  0.335  0.529  1.0
  Cl  Cl7  1  0.753  0.471  0.665  1.0
  Cl  Cl8  1  0.753  0.665  0.471  1.0
  Cl  Cl9  1  0.247  0.529  0.335  1.0
  Cl  Cl10  1  0.710  0.200  0.576  1.0
  Cl  Cl11  1  0.290  0.424  0.800  1.0
  Cl  Cl12  1  0.779  0.050  0.050  1.0
  Cl  Cl13  1  0.221  0.950  0.950  1.0
  Cl  Cl14  1  0.762  0.243  0.866  1.0
  Cl  Cl15  1  0.238  0.134  0.757  1.0
  Cl  Cl16  1  0.238  0.757  0.134  1.0
  Cl  Cl17  1  0.762  0.866  0.243  1.0
  Cl  Cl18  1  0.219  0.196  0.002  1.0
  Cl  Cl19  1  0.781  0.998  0.804  1.0
  Cl  Cl20  1  0.781  0.804  0.998  1.0
  Cl  Cl21  1  0.219  0.002  0.196  1.0
  Cl  Cl22  1  0.260  0.283  0.283  1.0
  Cl  Cl23  1  0.740  0.717  0.717  1.0
  Cl  Cl24  1  0.243  0.467  0.091  1.0
  Cl  Cl25  1  0.757  0.909  0.533  1.0
  Cl  Cl26  1  0.757  0.533  0.909  1.0
  Cl  Cl27  1  0.243  0.091  0.467  1.0
  Cl  Cl28  1  0.705  0.331  0.138  1.0
  Cl  Cl29  1  0.295  0.862  0.669  1.0
  Cl  Cl30  1  0.295  0.669  0.862  1.0
  Cl  Cl31  1  0.705  0.138  0.331  1.0
  Cl  Cl32  1  0.691  0.384  0.384  1.0
  Cl  Cl33  1  0.309  0.616  0.616  1.0
  Cl  Cl34  1  0.710  0.576  0.200  1.0
  Cl  Cl35  1  0.290  0.800  0.424  1.0
[/CIF]
.