The material described by TaCl6Tl is Indium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four 7440-28-0 atoms and four TaCl6 clusters. In each TaCl6 cluster, Ta(1) is bonded in an octahedral geometry to two equivalent Cl(1) and four equivalent Cl(2,3) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Ta(1) atom. In the second Cl site, Cl(2,3) is bonded in a single-bond geometry to one Ta(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaTlCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.719
_cell_length_b   6.719
_cell_length_c   11.998
_cell_angle_alpha   79.755
_cell_angle_beta   79.755
_cell_angle_gamma   55.558
_symmetry_Int_Tables_number   1
_cell_volume   437.631
_cell_formula_units_Z   2
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  0.500  0.000  0.500  1.0
  Ta  Ta1  1  0.000  0.500  0.000  1.0
  Tl  Tl2  1  0.919  0.081  0.750  1.0
  Tl  Tl3  1  0.081  0.919  0.250  1.0
  Cl  Cl4  1  0.475  0.683  0.606  1.0
  Cl  Cl5  1  0.525  0.317  0.394  1.0
  Cl  Cl6  1  0.317  0.525  0.894  1.0
  Cl  Cl7  1  0.683  0.475  0.106  1.0
  Cl  Cl8  1  0.382  0.194  0.668  1.0
  Cl  Cl9  1  0.618  0.806  0.332  1.0
  Cl  Cl10  1  0.806  0.618  0.832  1.0
  Cl  Cl11  1  0.194  0.382  0.168  1.0
  Cl  Cl12  1  0.794  0.911  0.032  1.0
  Cl  Cl13  1  0.206  0.089  0.968  1.0
  Cl  Cl14  1  0.089  0.206  0.468  1.0
  Cl  Cl15  1  0.911  0.794  0.532  1.0
[/CIF]
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The material described by TaCl6Tl is Indium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four 7440-28-0 atoms and four TaCl6 clusters. In each TaCl6 cluster, Ta(1) is bonded in an octahedral geometry to two equivalent Cl(1) and four equivalent Cl(2,3) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Ta(1) atom. In the second Cl site, Cl(2,3) is bonded in a single-bond geometry to one Ta(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaTlCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.719
_cell_length_b   6.719
_cell_length_c   11.998
_cell_angle_alpha   79.755
_cell_angle_beta   79.755
_cell_angle_gamma   55.558
_symmetry_Int_Tables_number   1
_cell_volume   437.631
_cell_formula_units_Z   2
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  0.500  0.000  0.500  1.0
  Ta  Ta1  1  0.000  0.500  0.000  1.0
  Tl  Tl2  1  0.919  0.081  0.750  1.0
  Tl  Tl3  1  0.081  0.919  0.250  1.0
  Cl  Cl4  1  0.475  0.683  0.606  1.0
  Cl  Cl5  1  0.525  0.317  0.394  1.0
  Cl  Cl6  1  0.317  0.525  0.894  1.0
  Cl  Cl7  1  0.683  0.475  0.106  1.0
  Cl  Cl8  1  0.382  0.194  0.668  1.0
  Cl  Cl9  1  0.618  0.806  0.332  1.0
  Cl  Cl10  1  0.806  0.618  0.832  1.0
  Cl  Cl11  1  0.194  0.382  0.168  1.0
  Cl  Cl12  1  0.794  0.911  0.032  1.0
  Cl  Cl13  1  0.206  0.089  0.968  1.0
  Cl  Cl14  1  0.089  0.206  0.468  1.0
  Cl  Cl15  1  0.911  0.794  0.532  1.0
[/CIF]
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