The crystal structure described by Ba11(CdSb2)6 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic C2/m space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one Cd(2), one Sb(3), one Sb(4), two equivalent Sb(2), and two equivalent Sb(6) atoms. In the second Ba site, Ba(2) is bonded to one Sb(3), one Sb(4), two equivalent Sb(1), and two equivalent Sb(5) atoms to form a mixture of corner, edge, and face-sharing BaSb6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to two equivalent Cd(1), two equivalent Cd(3), two equivalent Sb(1), and four equivalent Sb(6) atoms. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to two equivalent Cd(2), two equivalent Sb(4), and three equivalent Sb(5) atoms. In the fifth Ba site, Ba(5) is bonded in a 8-coordinate geometry to three equivalent Cd(2), one Sb(3), two equivalent Sb(5), and three equivalent Sb(2) atoms. In the sixth Ba site, Ba(6) is bonded to two equivalent Sb(3) and four equivalent Sb(1) atoms to form a mixture of distorted corner, edge, and face-sharing BaSb6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to two equivalent Ba(3), one Sb(1), one Sb(6), and two equivalent Sb(4) atoms. In the second Cd site, Cd(2) is bonded in a 10-coordinate geometry to one Ba(1), two equivalent Ba(4), three equivalent Ba(5), one Sb(4), one Sb(5), and two equivalent Sb(2) atoms. In the third Cd site, Cd(3) is bonded in a 3-coordinate geometry to two equivalent Ba(3), one Sb(1), and two equivalent Sb(3) atoms. There are six inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Ba(2), two equivalent Ba(3), two equivalent Ba(6), one Cd(1), and one Cd(3) atom. In the second Sb site, Sb(2) is bonded in a 7-coordinate geometry to two equivalent Ba(1), three equivalent Ba(5), and two equivalent Cd(2) atoms. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(5), one Ba(6), and two equivalent Cd(3) atoms. In the fourth Sb site, Sb(4) is bonded in a 7-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(4), one Cd(2), and two equivalent Cd(1) atoms. In the fifth Sb site, Sb(5) is bonded in a 8-coordinate geometry to two equivalent Ba(2), two equivalent Ba(5), three equivalent Ba(4), and one Cd(2) atom. In the sixth Sb site, Sb(6) is bonded in a 8-coordinate geometry to two equivalent Ba(1), four equivalent Ba(3), one Cd(1), and one Sb(6) atom. is represented by the CIF file [CIF]
data_Ba11(CdSb2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.529
_cell_length_b   17.529
_cell_length_c   13.422
_cell_angle_alpha   70.440
_cell_angle_beta   70.440
_cell_angle_gamma   16.312
_symmetry_Int_Tables_number   1
_cell_volume   1090.025
_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
  Ba  Ba0  1  0.113  0.113  0.490  1.0
  Ba  Ba1  1  0.126  0.126  0.981  1.0
  Ba  Ba2  1  0.018  0.018  0.321  1.0
  Ba  Ba3  1  0.281  0.281  0.865  1.0
  Ba  Ba4  1  0.199  0.199  0.653  1.0
  Ba  Ba5  1  0.801  0.801  0.347  1.0
  Ba  Ba6  1  0.000  0.000  0.000  1.0
  Ba  Ba7  1  0.887  0.887  0.510  1.0
  Ba  Ba8  1  0.874  0.874  0.019  1.0
  Ba  Ba9  1  0.982  0.982  0.679  1.0
  Ba  Ba10  1  0.719  0.719  0.135  1.0
  Cd  Cd11  1  0.401  0.401  0.746  1.0
  Cd  Cd12  1  0.782  0.782  0.671  1.0
  Cd  Cd13  1  0.546  0.546  0.760  1.0
  Cd  Cd14  1  0.218  0.218  0.329  1.0
  Cd  Cd15  1  0.454  0.454  0.240  1.0
  Cd  Cd16  1  0.599  0.599  0.254  1.0
  Sb  Sb17  1  0.454  0.454  0.880  1.0
  Sb  Sb18  1  0.307  0.307  0.544  1.0
  Sb  Sb19  1  0.693  0.693  0.456  1.0
  Sb  Sb20  1  0.913  0.913  0.236  1.0
  Sb  Sb21  1  0.147  0.147  0.217  1.0
  Sb  Sb22  1  0.546  0.546  0.120  1.0
  Sb  Sb23  1  0.707  0.707  0.857  1.0
  Sb  Sb24  1  0.458  0.458  0.506  1.0
  Sb  Sb25  1  0.542  0.542  0.494  1.0
  Sb  Sb26  1  0.853  0.853  0.783  1.0
  Sb  Sb27  1  0.087  0.087  0.764  1.0
  Sb  Sb28  1  0.293  0.293  0.143  1.0
[/CIF]
.
The crystal structure described by Ba11(CdSb2)6 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic C2/m space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one Cd(2), one Sb(3), one Sb(4), two equivalent Sb(2), and two equivalent Sb(6) atoms. In the second Ba site, Ba(2) is bonded to one Sb(3), one Sb(4), two equivalent Sb(1), and two equivalent Sb(5) atoms to form a mixture of corner, edge, and face-sharing BaSb6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to two equivalent Cd(1), two equivalent Cd(3), two equivalent Sb(1), and four equivalent Sb(6) atoms. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to two equivalent Cd(2), two equivalent Sb(4), and three equivalent Sb(5) atoms. In the fifth Ba site, Ba(5) is bonded in a 8-coordinate geometry to three equivalent Cd(2), one Sb(3), two equivalent Sb(5), and three equivalent Sb(2) atoms. In the sixth Ba site, Ba(6) is bonded to two equivalent Sb(3) and four equivalent Sb(1) atoms to form a mixture of distorted corner, edge, and face-sharing BaSb6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to two equivalent Ba(3), one Sb(1), one Sb(6), and two equivalent Sb(4) atoms. In the second Cd site, Cd(2) is bonded in a 10-coordinate geometry to one Ba(1), two equivalent Ba(4), three equivalent Ba(5), one Sb(4), one Sb(5), and two equivalent Sb(2) atoms. In the third Cd site, Cd(3) is bonded in a 3-coordinate geometry to two equivalent Ba(3), one Sb(1), and two equivalent Sb(3) atoms. There are six inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Ba(2), two equivalent Ba(3), two equivalent Ba(6), one Cd(1), and one Cd(3) atom. In the second Sb site, Sb(2) is bonded in a 7-coordinate geometry to two equivalent Ba(1), three equivalent Ba(5), and two equivalent Cd(2) atoms. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(5), one Ba(6), and two equivalent Cd(3) atoms. In the fourth Sb site, Sb(4) is bonded in a 7-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(4), one Cd(2), and two equivalent Cd(1) atoms. In the fifth Sb site, Sb(5) is bonded in a 8-coordinate geometry to two equivalent Ba(2), two equivalent Ba(5), three equivalent Ba(4), and one Cd(2) atom. In the sixth Sb site, Sb(6) is bonded in a 8-coordinate geometry to two equivalent Ba(1), four equivalent Ba(3), one Cd(1), and one Sb(6) atom. is represented by the CIF file [CIF]
data_Ba11(CdSb2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.529
_cell_length_b   17.529
_cell_length_c   13.422
_cell_angle_alpha   70.440
_cell_angle_beta   70.440
_cell_angle_gamma   16.312
_symmetry_Int_Tables_number   1
_cell_volume   1090.025
_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
  Ba  Ba0  1  0.113  0.113  0.490  1.0
  Ba  Ba1  1  0.126  0.126  0.981  1.0
  Ba  Ba2  1  0.018  0.018  0.321  1.0
  Ba  Ba3  1  0.281  0.281  0.865  1.0
  Ba  Ba4  1  0.199  0.199  0.653  1.0
  Ba  Ba5  1  0.801  0.801  0.347  1.0
  Ba  Ba6  1  0.000  0.000  0.000  1.0
  Ba  Ba7  1  0.887  0.887  0.510  1.0
  Ba  Ba8  1  0.874  0.874  0.019  1.0
  Ba  Ba9  1  0.982  0.982  0.679  1.0
  Ba  Ba10  1  0.719  0.719  0.135  1.0
  Cd  Cd11  1  0.401  0.401  0.746  1.0
  Cd  Cd12  1  0.782  0.782  0.671  1.0
  Cd  Cd13  1  0.546  0.546  0.760  1.0
  Cd  Cd14  1  0.218  0.218  0.329  1.0
  Cd  Cd15  1  0.454  0.454  0.240  1.0
  Cd  Cd16  1  0.599  0.599  0.254  1.0
  Sb  Sb17  1  0.454  0.454  0.880  1.0
  Sb  Sb18  1  0.307  0.307  0.544  1.0
  Sb  Sb19  1  0.693  0.693  0.456  1.0
  Sb  Sb20  1  0.913  0.913  0.236  1.0
  Sb  Sb21  1  0.147  0.147  0.217  1.0
  Sb  Sb22  1  0.546  0.546  0.120  1.0
  Sb  Sb23  1  0.707  0.707  0.857  1.0
  Sb  Sb24  1  0.458  0.458  0.506  1.0
  Sb  Sb25  1  0.542  0.542  0.494  1.0
  Sb  Sb26  1  0.853  0.853  0.783  1.0
  Sb  Sb27  1  0.087  0.087  0.764  1.0
  Sb  Sb28  1  0.293  0.293  0.143  1.0
[/CIF]
.