The material structure described by TaI4 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one TaI4 cluster. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one I(2), one I(3), one I(4), one I(7), and two equivalent I(1) atoms to form a mixture of distorted edge and face-sharing TaI6 octahedra. In the second Ta site, Ta(2) is bonded to one I(2), one I(3), one I(5), one I(6), one I(7), and one I(8) atom to form distorted face-sharing TaI6 octahedra. There are eight inequivalent I sites. In the first I site, I(1) is bonded in a water-like geometry to two equivalent Ta(1) atoms. In the second I site, I(2) is bonded in a 2-coordinate geometry to one Ta(1) and one Ta(2) atom. In the third I site, I(3) is bonded in a 2-coordinate geometry to one Ta(1) and one Ta(2) atom. In the fourth I site, I(4) is bonded in a single-bond geometry to one Ta(1) atom. In the fifth I site, I(5) is bonded in a single-bond geometry to one Ta(2) atom. In the sixth I site, I(6) is bonded in a single-bond geometry to one Ta(2) atom. In the seventh I site, I(7) is bonded in a 2-coordinate geometry to one Ta(1) and one Ta(2) atom. In the eighth I site, I(8) is bonded in a single-bond geometry to one Ta(2) atom. is represented by the CIF file [CIF]
data_TaI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.332
_cell_length_b   10.869
_cell_length_c   11.020
_cell_angle_alpha   80.573
_cell_angle_beta   88.954
_cell_angle_gamma   74.939
_symmetry_Int_Tables_number   1
_cell_volume   836.300
_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
  Ta  Ta0  1  0.113  0.909  0.837  1.0
  Ta  Ta1  1  0.887  0.091  0.163  1.0
  Ta  Ta2  1  0.186  0.672  0.723  1.0
  Ta  Ta3  1  0.814  0.328  0.277  1.0
  I  I4  1  0.236  0.946  0.073  1.0
  I  I5  1  0.476  0.759  0.831  1.0
  I  I6  1  0.884  0.901  0.646  1.0
  I  I7  1  0.203  0.120  0.720  1.0
  I  I8  1  0.797  0.880  0.280  1.0
  I  I9  1  0.072  0.453  0.333  1.0
  I  I10  1  0.417  0.433  0.808  1.0
  I  I11  1  0.026  0.684  0.966  1.0
  I  I12  1  0.116  0.099  0.354  1.0
  I  I13  1  0.524  0.241  0.169  1.0
  I  I14  1  0.764  0.054  0.927  1.0
  I  I15  1  0.974  0.316  0.034  1.0
  I  I16  1  0.660  0.291  0.496  1.0
  I  I17  1  0.928  0.547  0.667  1.0
  I  I18  1  0.340  0.709  0.504  1.0
  I  I19  1  0.583  0.567  0.192  1.0
[/CIF]
.
The material structure described by TaI4 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one TaI4 cluster. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one I(2), one I(3), one I(4), one I(7), and two equivalent I(1) atoms to form a mixture of distorted edge and face-sharing TaI6 octahedra. In the second Ta site, Ta(2) is bonded to one I(2), one I(3), one I(5), one I(6), one I(7), and one I(8) atom to form distorted face-sharing TaI6 octahedra. There are eight inequivalent I sites. In the first I site, I(1) is bonded in a water-like geometry to two equivalent Ta(1) atoms. In the second I site, I(2) is bonded in a 2-coordinate geometry to one Ta(1) and one Ta(2) atom. In the third I site, I(3) is bonded in a 2-coordinate geometry to one Ta(1) and one Ta(2) atom. In the fourth I site, I(4) is bonded in a single-bond geometry to one Ta(1) atom. In the fifth I site, I(5) is bonded in a single-bond geometry to one Ta(2) atom. In the sixth I site, I(6) is bonded in a single-bond geometry to one Ta(2) atom. In the seventh I site, I(7) is bonded in a 2-coordinate geometry to one Ta(1) and one Ta(2) atom. In the eighth I site, I(8) is bonded in a single-bond geometry to one Ta(2) atom. is represented by the CIF file [CIF]
data_TaI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.332
_cell_length_b   10.869
_cell_length_c   11.020
_cell_angle_alpha   80.573
_cell_angle_beta   88.954
_cell_angle_gamma   74.939
_symmetry_Int_Tables_number   1
_cell_volume   836.300
_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
  Ta  Ta0  1  0.113  0.909  0.837  1.0
  Ta  Ta1  1  0.887  0.091  0.163  1.0
  Ta  Ta2  1  0.186  0.672  0.723  1.0
  Ta  Ta3  1  0.814  0.328  0.277  1.0
  I  I4  1  0.236  0.946  0.073  1.0
  I  I5  1  0.476  0.759  0.831  1.0
  I  I6  1  0.884  0.901  0.646  1.0
  I  I7  1  0.203  0.120  0.720  1.0
  I  I8  1  0.797  0.880  0.280  1.0
  I  I9  1  0.072  0.453  0.333  1.0
  I  I10  1  0.417  0.433  0.808  1.0
  I  I11  1  0.026  0.684  0.966  1.0
  I  I12  1  0.116  0.099  0.354  1.0
  I  I13  1  0.524  0.241  0.169  1.0
  I  I14  1  0.764  0.054  0.927  1.0
  I  I15  1  0.974  0.316  0.034  1.0
  I  I16  1  0.660  0.291  0.496  1.0
  I  I17  1  0.928  0.547  0.667  1.0
  I  I18  1  0.340  0.709  0.504  1.0
  I  I19  1  0.583  0.567  0.192  1.0
[/CIF]
.