The crystal structure described by Cs2SbCl6 crystallizes in the tetragonal I-4m2 space group. Cs(1) is bonded to one Cl(1), one Cl(3), one Cl(7), one Cl(8), two equivalent Cl(2), two equivalent Cl(4), two equivalent Cl(5), and two equivalent Cl(6) atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent Cs(1)Cl12 cuboctahedra, faces with six equivalent Cs(1)Cl12 cuboctahedra,  a faceface with one Sb(1)Cl6 octahedra,  a faceface with one Sb(2)Cl6 octahedra,  a faceface with one Sb(3)Cl6 octahedra, and  a faceface with one Sb(4)Cl6 octahedra. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent Cl(7) and four equivalent Cl(2) atoms to form SbCl6 octahedra that share faces with eight equivalent Cs(1)Cl12 cuboctahedra. In the second Sb site, Sb(2) is bonded to two equivalent Cl(8) and four equivalent Cl(5) atoms to form SbCl6 octahedra that share faces with eight equivalent Cs(1)Cl12 cuboctahedra. In the third Sb site, Sb(3) is bonded to two equivalent Cl(3) and four equivalent Cl(4) atoms to form SbCl6 octahedra that share faces with eight equivalent Cs(1)Cl12 cuboctahedra. In the fourth Sb site, Sb(4) is bonded to two equivalent Cl(1) and four equivalent Cl(6) atoms to form SbCl6 octahedra that share faces with eight equivalent Cs(1)Cl12 cuboctahedra. There are eight inequivalent Cl sites. In the first Cl site, Cl(6) is bonded to four equivalent Cs(1) and one Sb(4) atom to form a mixture of distorted face, corner, and edge-sharing ClCs4Sb square pyramids. In the second Cl site, Cl(7) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Sb(1) atom. In the third Cl site, Cl(8) is bonded to four equivalent Cs(1) and one Sb(2) atom to form a mixture of distorted face, corner, and edge-sharing ClCs4Sb square pyramids. In the fourth Cl site, Cl(1) is bonded to four equivalent Cs(1) and one Sb(4) atom to form a mixture of distorted face, corner, and edge-sharing ClCs4Sb square pyramids. In the fifth Cl site, Cl(2) is bonded to four equivalent Cs(1) and one Sb(1) atom to form a mixture of distorted face, corner, and edge-sharing ClCs4Sb square pyramids. In the sixth Cl site, Cl(3) is bonded to four equivalent Cs(1) and one Sb(3) atom to form a mixture of distorted face, corner, and edge-sharing ClCs4Sb square pyramids. In the seventh Cl site, Cl(4) is bonded to four equivalent Cs(1) and one Sb(3) atom to form a mixture of distorted face, corner, and edge-sharing ClCs4Sb square pyramids. In the eighth Cl site, Cl(5) is bonded to four equivalent Cs(1) and one Sb(2) atom to form a mixture of distorted face, corner, and edge-sharing ClCs4Sb square pyramids. is represented by the CIF card [CIF]
data_Cs2SbCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.438
_cell_length_b   7.438
_cell_length_c   7.438
_cell_angle_alpha   119.955
_cell_angle_beta   90.085
_cell_angle_gamma   119.946
_symmetry_Int_Tables_number   1
_cell_volume   291.209
_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
  Cl  Cl0  1  0.240  0.000  0.240  1.0
  Cl  Cl1  1  0.240  0.480  0.240  1.0
  Cl  Cl2  1  0.760  0.000  0.760  1.0
  Cl  Cl3  1  0.240  1.000  0.760  1.0
  Cl  Cl4  1  0.760  0.520  0.760  1.0
  Cl  Cl5  1  0.760  0.000  0.240  1.0
  Cs  Cs6  1  0.250  0.500  0.750  1.0
  Cs  Cs7  1  0.750  0.500  0.250  1.0
  Sb  Sb8  1  1.000  1.000  1.000  1.0
[/CIF]
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The crystal structure described by Cs2SbCl6 crystallizes in the tetragonal I-4m2 space group. Cs(1) is bonded to one Cl(1), one Cl(3), one Cl(7), one Cl(8), two equivalent Cl(2), two equivalent Cl(4), two equivalent Cl(5), and two equivalent Cl(6) atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent Cs(1)Cl12 cuboctahedra, faces with six equivalent Cs(1)Cl12 cuboctahedra,  a faceface with one Sb(1)Cl6 octahedra,  a faceface with one Sb(2)Cl6 octahedra,  a faceface with one Sb(3)Cl6 octahedra, and  a faceface with one Sb(4)Cl6 octahedra. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent Cl(7) and four equivalent Cl(2) atoms to form SbCl6 octahedra that share faces with eight equivalent Cs(1)Cl12 cuboctahedra. In the second Sb site, Sb(2) is bonded to two equivalent Cl(8) and four equivalent Cl(5) atoms to form SbCl6 octahedra that share faces with eight equivalent Cs(1)Cl12 cuboctahedra. In the third Sb site, Sb(3) is bonded to two equivalent Cl(3) and four equivalent Cl(4) atoms to form SbCl6 octahedra that share faces with eight equivalent Cs(1)Cl12 cuboctahedra. In the fourth Sb site, Sb(4) is bonded to two equivalent Cl(1) and four equivalent Cl(6) atoms to form SbCl6 octahedra that share faces with eight equivalent Cs(1)Cl12 cuboctahedra. There are eight inequivalent Cl sites. In the first Cl site, Cl(6) is bonded to four equivalent Cs(1) and one Sb(4) atom to form a mixture of distorted face, corner, and edge-sharing ClCs4Sb square pyramids. In the second Cl site, Cl(7) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Sb(1) atom. In the third Cl site, Cl(8) is bonded to four equivalent Cs(1) and one Sb(2) atom to form a mixture of distorted face, corner, and edge-sharing ClCs4Sb square pyramids. In the fourth Cl site, Cl(1) is bonded to four equivalent Cs(1) and one Sb(4) atom to form a mixture of distorted face, corner, and edge-sharing ClCs4Sb square pyramids. In the fifth Cl site, Cl(2) is bonded to four equivalent Cs(1) and one Sb(1) atom to form a mixture of distorted face, corner, and edge-sharing ClCs4Sb square pyramids. In the sixth Cl site, Cl(3) is bonded to four equivalent Cs(1) and one Sb(3) atom to form a mixture of distorted face, corner, and edge-sharing ClCs4Sb square pyramids. In the seventh Cl site, Cl(4) is bonded to four equivalent Cs(1) and one Sb(3) atom to form a mixture of distorted face, corner, and edge-sharing ClCs4Sb square pyramids. In the eighth Cl site, Cl(5) is bonded to four equivalent Cs(1) and one Sb(2) atom to form a mixture of distorted face, corner, and edge-sharing ClCs4Sb square pyramids. is represented by the CIF card [CIF]
data_Cs2SbCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.438
_cell_length_b   7.438
_cell_length_c   7.438
_cell_angle_alpha   119.955
_cell_angle_beta   90.085
_cell_angle_gamma   119.946
_symmetry_Int_Tables_number   1
_cell_volume   291.209
_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
  Cl  Cl0  1  0.240  0.000  0.240  1.0
  Cl  Cl1  1  0.240  0.480  0.240  1.0
  Cl  Cl2  1  0.760  0.000  0.760  1.0
  Cl  Cl3  1  0.240  1.000  0.760  1.0
  Cl  Cl4  1  0.760  0.520  0.760  1.0
  Cl  Cl5  1  0.760  0.000  0.240  1.0
  Cs  Cs6  1  0.250  0.500  0.750  1.0
  Cs  Cs7  1  0.750  0.500  0.250  1.0
  Sb  Sb8  1  1.000  1.000  1.000  1.0
[/CIF]
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