The material described by Rb4FeSbCl12 crystallizes in the tetragonal P4/mmm space group. Rb(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), four equivalent Cl(3), and four equivalent Cl(4) atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent Rb(1)Cl12 cuboctahedra, faces with six equivalent Rb(1)Cl12 cuboctahedra, faces with two equivalent Fe(1)Cl6 octahedra, and faces with two equivalent Sb(1)Cl6 octahedra. Fe(1) is bonded to two equivalent Cl(1) and four equivalent Cl(4) atoms to form FeCl6 octahedra that share faces with eight equivalent Rb(1)Cl12 cuboctahedra. Sb(1) is bonded to two equivalent Cl(2) and four equivalent Cl(3) atoms to form SbCl6 octahedra that share faces with eight equivalent Rb(1)Cl12 cuboctahedra. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one Fe(1) atom. In the second Cl site, Cl(2) is bonded to four equivalent Rb(1) and one Sb(1) atom to form a mixture of distorted corner and face-sharing ClRb4Sb square pyramids. In the third Cl site, Cl(3) is bonded to four equivalent Rb(1) and one Sb(1) atom to form a mixture of distorted corner, edge, and face-sharing ClRb4Sb square pyramids. In the fourth Cl site, Cl(4) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one Fe(1) atom. is represented by the CIF file [CIF]
data_Rb4FeSbCl12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.173
_cell_length_b   7.173
_cell_length_c   10.208
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   525.264
_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
  Rb  Rb0  1  0.500  0.000  0.759  1.0
  Rb  Rb1  1  0.000  0.500  0.241  1.0
  Rb  Rb2  1  0.500  0.000  0.241  1.0
  Rb  Rb3  1  0.000  0.500  0.759  1.0
  Fe  Fe4  1  0.000  0.000  0.000  1.0
  Sb  Sb5  1  0.500  0.500  0.500  1.0
  Cl  Cl6  1  0.000  0.000  0.778  1.0
  Cl  Cl7  1  0.500  0.500  0.253  1.0
  Cl  Cl8  1  0.748  0.748  0.500  1.0
  Cl  Cl9  1  0.224  0.224  0.000  1.0
  Cl  Cl10  1  0.748  0.252  0.500  1.0
  Cl  Cl11  1  0.224  0.776  0.000  1.0
  Cl  Cl12  1  0.000  0.000  0.222  1.0
  Cl  Cl13  1  0.500  0.500  0.747  1.0
  Cl  Cl14  1  0.252  0.252  0.500  1.0
  Cl  Cl15  1  0.776  0.776  0.000  1.0
  Cl  Cl16  1  0.252  0.748  0.500  1.0
  Cl  Cl17  1  0.776  0.224  0.000  1.0
[/CIF]
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The material described by Rb4FeSbCl12 crystallizes in the tetragonal P4/mmm space group. Rb(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), four equivalent Cl(3), and four equivalent Cl(4) atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent Rb(1)Cl12 cuboctahedra, faces with six equivalent Rb(1)Cl12 cuboctahedra, faces with two equivalent Fe(1)Cl6 octahedra, and faces with two equivalent Sb(1)Cl6 octahedra. Fe(1) is bonded to two equivalent Cl(1) and four equivalent Cl(4) atoms to form FeCl6 octahedra that share faces with eight equivalent Rb(1)Cl12 cuboctahedra. Sb(1) is bonded to two equivalent Cl(2) and four equivalent Cl(3) atoms to form SbCl6 octahedra that share faces with eight equivalent Rb(1)Cl12 cuboctahedra. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one Fe(1) atom. In the second Cl site, Cl(2) is bonded to four equivalent Rb(1) and one Sb(1) atom to form a mixture of distorted corner and face-sharing ClRb4Sb square pyramids. In the third Cl site, Cl(3) is bonded to four equivalent Rb(1) and one Sb(1) atom to form a mixture of distorted corner, edge, and face-sharing ClRb4Sb square pyramids. In the fourth Cl site, Cl(4) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one Fe(1) atom. is represented by the CIF file [CIF]
data_Rb4FeSbCl12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.173
_cell_length_b   7.173
_cell_length_c   10.208
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   525.264
_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
  Rb  Rb0  1  0.500  0.000  0.759  1.0
  Rb  Rb1  1  0.000  0.500  0.241  1.0
  Rb  Rb2  1  0.500  0.000  0.241  1.0
  Rb  Rb3  1  0.000  0.500  0.759  1.0
  Fe  Fe4  1  0.000  0.000  0.000  1.0
  Sb  Sb5  1  0.500  0.500  0.500  1.0
  Cl  Cl6  1  0.000  0.000  0.778  1.0
  Cl  Cl7  1  0.500  0.500  0.253  1.0
  Cl  Cl8  1  0.748  0.748  0.500  1.0
  Cl  Cl9  1  0.224  0.224  0.000  1.0
  Cl  Cl10  1  0.748  0.252  0.500  1.0
  Cl  Cl11  1  0.224  0.776  0.000  1.0
  Cl  Cl12  1  0.000  0.000  0.222  1.0
  Cl  Cl13  1  0.500  0.500  0.747  1.0
  Cl  Cl14  1  0.252  0.252  0.500  1.0
  Cl  Cl15  1  0.776  0.776  0.000  1.0
  Cl  Cl16  1  0.252  0.748  0.500  1.0
  Cl  Cl17  1  0.776  0.224  0.000  1.0
[/CIF]
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