The material described by RbNbCl6 crystallizes in the monoclinic C2/c space group. Rb(1) is bonded to four equivalent Cl(1), four equivalent Cl(2), and four equivalent Cl(3) atoms to form RbCl12 cuboctahedra that share corners with four equivalent Rb(1)Cl12 cuboctahedra, corners with two equivalent Nb(1)Cl6 octahedra, edges with four equivalent Rb(1)Cl12 cuboctahedra, edges with two equivalent Nb(1)Cl6 octahedra, and faces with two equivalent Nb(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 45°. Nb(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form NbCl6 octahedra that share corners with two equivalent Rb(1)Cl12 cuboctahedra, edges with two equivalent Rb(1)Cl12 cuboctahedra, and faces with two equivalent Rb(1)Cl12 cuboctahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one Nb(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one Nb(1) atom. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one Nb(1) atom. is represented by the CIF file [CIF]
data_RbNbCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.811
_cell_length_b   6.811
_cell_length_c   12.208
_cell_angle_alpha   79.620
_cell_angle_beta   79.620
_cell_angle_gamma   54.888
_symmetry_Int_Tables_number   1
_cell_volume   453.553
_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
  Rb  Rb0  1  0.893  0.107  0.750  1.0
  Rb  Rb1  1  0.107  0.893  0.250  1.0
  Nb  Nb2  1  0.500  0.000  0.500  1.0
  Nb  Nb3  1  0.000  0.500  0.000  1.0
  Cl  Cl4  1  0.475  0.684  0.605  1.0
  Cl  Cl5  1  0.525  0.316  0.395  1.0
  Cl  Cl6  1  0.316  0.525  0.895  1.0
  Cl  Cl7  1  0.684  0.475  0.105  1.0
  Cl  Cl8  1  0.371  0.200  0.665  1.0
  Cl  Cl9  1  0.629  0.800  0.335  1.0
  Cl  Cl10  1  0.800  0.629  0.835  1.0
  Cl  Cl11  1  0.200  0.371  0.165  1.0
  Cl  Cl12  1  0.794  0.908  0.037  1.0
  Cl  Cl13  1  0.206  0.092  0.963  1.0
  Cl  Cl14  1  0.092  0.206  0.463  1.0
  Cl  Cl15  1  0.908  0.794  0.537  1.0
[/CIF]
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The material described by RbNbCl6 crystallizes in the monoclinic C2/c space group. Rb(1) is bonded to four equivalent Cl(1), four equivalent Cl(2), and four equivalent Cl(3) atoms to form RbCl12 cuboctahedra that share corners with four equivalent Rb(1)Cl12 cuboctahedra, corners with two equivalent Nb(1)Cl6 octahedra, edges with four equivalent Rb(1)Cl12 cuboctahedra, edges with two equivalent Nb(1)Cl6 octahedra, and faces with two equivalent Nb(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 45°. Nb(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form NbCl6 octahedra that share corners with two equivalent Rb(1)Cl12 cuboctahedra, edges with two equivalent Rb(1)Cl12 cuboctahedra, and faces with two equivalent Rb(1)Cl12 cuboctahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one Nb(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one Nb(1) atom. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one Nb(1) atom. is represented by the CIF file [CIF]
data_RbNbCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.811
_cell_length_b   6.811
_cell_length_c   12.208
_cell_angle_alpha   79.620
_cell_angle_beta   79.620
_cell_angle_gamma   54.888
_symmetry_Int_Tables_number   1
_cell_volume   453.553
_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
  Rb  Rb0  1  0.893  0.107  0.750  1.0
  Rb  Rb1  1  0.107  0.893  0.250  1.0
  Nb  Nb2  1  0.500  0.000  0.500  1.0
  Nb  Nb3  1  0.000  0.500  0.000  1.0
  Cl  Cl4  1  0.475  0.684  0.605  1.0
  Cl  Cl5  1  0.525  0.316  0.395  1.0
  Cl  Cl6  1  0.316  0.525  0.895  1.0
  Cl  Cl7  1  0.684  0.475  0.105  1.0
  Cl  Cl8  1  0.371  0.200  0.665  1.0
  Cl  Cl9  1  0.629  0.800  0.335  1.0
  Cl  Cl10  1  0.800  0.629  0.835  1.0
  Cl  Cl11  1  0.200  0.371  0.165  1.0
  Cl  Cl12  1  0.794  0.908  0.037  1.0
  Cl  Cl13  1  0.206  0.092  0.963  1.0
  Cl  Cl14  1  0.092  0.206  0.463  1.0
  Cl  Cl15  1  0.908  0.794  0.537  1.0
[/CIF]
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