The material structure described by TlNbCl6 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 NbCl6 clusters. In each NbCl6 cluster, Nb(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 Nb(1) atom. In the second Cl site, Cl(2,3) is bonded in a single-bond geometry to one Nb(1) atom. is represented by the CIF file [CIF]
data_NbTlCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.711
_cell_length_b   6.711
_cell_length_c   11.983
_cell_angle_alpha   79.949
_cell_angle_beta   79.949
_cell_angle_gamma   55.417
_symmetry_Int_Tables_number   1
_cell_volume   435.621
_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
  Nb  Nb0  1  0.500  0.000  0.500  1.0
  Nb  Nb1  1  0.000  0.500  0.000  1.0
  Tl  Tl2  1  0.920  0.080  0.750  1.0
  Tl  Tl3  1  0.080  0.920  0.250  1.0
  Cl  Cl4  1  0.479  0.677  0.606  1.0
  Cl  Cl5  1  0.521  0.323  0.394  1.0
  Cl  Cl6  1  0.323  0.521  0.894  1.0
  Cl  Cl7  1  0.677  0.479  0.106  1.0
  Cl  Cl8  1  0.383  0.193  0.670  1.0
  Cl  Cl9  1  0.617  0.807  0.330  1.0
  Cl  Cl10  1  0.807  0.617  0.830  1.0
  Cl  Cl11  1  0.193  0.383  0.170  1.0
  Cl  Cl12  1  0.793  0.916  0.031  1.0
  Cl  Cl13  1  0.207  0.084  0.969  1.0
  Cl  Cl14  1  0.084  0.207  0.469  1.0
  Cl  Cl15  1  0.916  0.793  0.531  1.0
[/CIF]
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The material structure described by TlNbCl6 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 NbCl6 clusters. In each NbCl6 cluster, Nb(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 Nb(1) atom. In the second Cl site, Cl(2,3) is bonded in a single-bond geometry to one Nb(1) atom. is represented by the CIF file [CIF]
data_NbTlCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.711
_cell_length_b   6.711
_cell_length_c   11.983
_cell_angle_alpha   79.949
_cell_angle_beta   79.949
_cell_angle_gamma   55.417
_symmetry_Int_Tables_number   1
_cell_volume   435.621
_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
  Nb  Nb0  1  0.500  0.000  0.500  1.0
  Nb  Nb1  1  0.000  0.500  0.000  1.0
  Tl  Tl2  1  0.920  0.080  0.750  1.0
  Tl  Tl3  1  0.080  0.920  0.250  1.0
  Cl  Cl4  1  0.479  0.677  0.606  1.0
  Cl  Cl5  1  0.521  0.323  0.394  1.0
  Cl  Cl6  1  0.323  0.521  0.894  1.0
  Cl  Cl7  1  0.677  0.479  0.106  1.0
  Cl  Cl8  1  0.383  0.193  0.670  1.0
  Cl  Cl9  1  0.617  0.807  0.330  1.0
  Cl  Cl10  1  0.807  0.617  0.830  1.0
  Cl  Cl11  1  0.193  0.383  0.170  1.0
  Cl  Cl12  1  0.793  0.916  0.031  1.0
  Cl  Cl13  1  0.207  0.084  0.969  1.0
  Cl  Cl14  1  0.084  0.207  0.469  1.0
  Cl  Cl15  1  0.916  0.793  0.531  1.0
[/CIF]
.