The structure described by LuNb6Cl18 crystallizes in the trigonal R-3 space group. Lu(1) is bonded to six equivalent Cl(3) atoms to form LuCl6 octahedra that share corners with six equivalent Nb(1)Cl5 square pyramids. Nb(1) is bonded to one Cl(3), two equivalent Cl(1), and two equivalent Cl(2) atoms to form distorted NbCl5 square pyramids that share  a cornercorner with one Lu(1)Cl6 octahedra and corners with four equivalent Nb(1)Cl5 square pyramids. The corner-sharing octahedral tilt angles are 43°. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted L-shaped geometry to two equivalent Nb(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted L-shaped geometry to two equivalent Nb(1) atoms. In the third Cl site, Cl(3) is bonded in a bent 150 degrees geometry to one Lu(1) and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu(NbCl3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.046
_cell_length_b   10.046
_cell_length_c   10.046
_cell_angle_alpha   55.919
_cell_angle_beta   55.920
_cell_angle_gamma   55.919
_symmetry_Int_Tables_number   1
_cell_volume   649.166
_cell_formula_units_Z   1
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
  Lu  Lu0  1  1.000  0.000  0.000  1.0
  Nb  Nb1  1  0.406  0.298  0.652  1.0
  Nb  Nb2  1  0.348  0.594  0.702  1.0
  Nb  Nb3  1  0.702  0.348  0.594  1.0
  Nb  Nb4  1  0.298  0.652  0.406  1.0
  Nb  Nb5  1  0.652  0.406  0.298  1.0
  Nb  Nb6  1  0.594  0.702  0.348  1.0
  Cl  Cl7  1  0.569  0.157  0.442  1.0
  Cl  Cl8  1  0.219  0.370  0.913  1.0
  Cl  Cl9  1  0.913  0.219  0.370  1.0
  Cl  Cl10  1  0.370  0.913  0.219  1.0
  Cl  Cl11  1  0.781  0.629  0.087  1.0
  Cl  Cl12  1  0.087  0.781  0.629  1.0
  Cl  Cl13  1  0.707  0.962  0.156  1.0
  Cl  Cl14  1  0.962  0.156  0.707  1.0
  Cl  Cl15  1  0.156  0.707  0.962  1.0
  Cl  Cl16  1  0.293  0.038  0.844  1.0
  Cl  Cl17  1  0.038  0.844  0.293  1.0
  Cl  Cl18  1  0.844  0.293  0.038  1.0
  Cl  Cl19  1  0.558  0.431  0.843  1.0
  Cl  Cl20  1  0.157  0.442  0.569  1.0
  Cl  Cl21  1  0.442  0.569  0.157  1.0
  Cl  Cl22  1  0.431  0.843  0.558  1.0
  Cl  Cl23  1  0.843  0.558  0.431  1.0
  Cl  Cl24  1  0.630  0.087  0.781  1.0
[/CIF]
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The structure described by LuNb6Cl18 crystallizes in the trigonal R-3 space group. Lu(1) is bonded to six equivalent Cl(3) atoms to form LuCl6 octahedra that share corners with six equivalent Nb(1)Cl5 square pyramids. Nb(1) is bonded to one Cl(3), two equivalent Cl(1), and two equivalent Cl(2) atoms to form distorted NbCl5 square pyramids that share  a cornercorner with one Lu(1)Cl6 octahedra and corners with four equivalent Nb(1)Cl5 square pyramids. The corner-sharing octahedral tilt angles are 43°. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted L-shaped geometry to two equivalent Nb(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted L-shaped geometry to two equivalent Nb(1) atoms. In the third Cl site, Cl(3) is bonded in a bent 150 degrees geometry to one Lu(1) and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu(NbCl3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.046
_cell_length_b   10.046
_cell_length_c   10.046
_cell_angle_alpha   55.919
_cell_angle_beta   55.920
_cell_angle_gamma   55.919
_symmetry_Int_Tables_number   1
_cell_volume   649.166
_cell_formula_units_Z   1
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
  Lu  Lu0  1  1.000  0.000  0.000  1.0
  Nb  Nb1  1  0.406  0.298  0.652  1.0
  Nb  Nb2  1  0.348  0.594  0.702  1.0
  Nb  Nb3  1  0.702  0.348  0.594  1.0
  Nb  Nb4  1  0.298  0.652  0.406  1.0
  Nb  Nb5  1  0.652  0.406  0.298  1.0
  Nb  Nb6  1  0.594  0.702  0.348  1.0
  Cl  Cl7  1  0.569  0.157  0.442  1.0
  Cl  Cl8  1  0.219  0.370  0.913  1.0
  Cl  Cl9  1  0.913  0.219  0.370  1.0
  Cl  Cl10  1  0.370  0.913  0.219  1.0
  Cl  Cl11  1  0.781  0.629  0.087  1.0
  Cl  Cl12  1  0.087  0.781  0.629  1.0
  Cl  Cl13  1  0.707  0.962  0.156  1.0
  Cl  Cl14  1  0.962  0.156  0.707  1.0
  Cl  Cl15  1  0.156  0.707  0.962  1.0
  Cl  Cl16  1  0.293  0.038  0.844  1.0
  Cl  Cl17  1  0.038  0.844  0.293  1.0
  Cl  Cl18  1  0.844  0.293  0.038  1.0
  Cl  Cl19  1  0.558  0.431  0.843  1.0
  Cl  Cl20  1  0.157  0.442  0.569  1.0
  Cl  Cl21  1  0.442  0.569  0.157  1.0
  Cl  Cl22  1  0.431  0.843  0.558  1.0
  Cl  Cl23  1  0.843  0.558  0.431  1.0
  Cl  Cl24  1  0.630  0.087  0.781  1.0
[/CIF]
.