The material described by Yb11AlSb9 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Iba2 space group. There are six inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 5-coordinate geometry to one Sb(1), one Sb(2), one Sb(4), one Sb(5), and two equivalent Sb(3) atoms. In the second Yb site, Yb(2) is bonded in a 7-coordinate geometry to one Sb(1), one Sb(2), one Sb(4), two equivalent Sb(3), and two equivalent Sb(5) atoms. In the third Yb site, Yb(3) is bonded in a 8-coordinate geometry to one Al(1), one Sb(4), one Sb(5), two equivalent Sb(3), and three equivalent Sb(2) atoms. In the fourth Yb site, Yb(4) is bonded in a 6-coordinate geometry to one Sb(1), one Sb(2), one Sb(3), one Sb(5), and two equivalent Sb(4) atoms. In the fifth Yb site, Yb(5) is bonded to one Sb(1), one Sb(2), one Sb(3), one Sb(4), and two equivalent Sb(5) atoms to form distorted corner-sharing YbSb6 octahedra. The corner-sharing octahedral tilt angles range from 36-56°. In the sixth Yb site, Yb(6) is bonded in a 6-coordinate geometry to two equivalent Sb(2), two equivalent Sb(4), and two equivalent Sb(5) atoms. Al(1) is bonded in a 4-coordinate geometry to two equivalent Yb(3), two equivalent Sb(2), and two equivalent Sb(4) atoms. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Yb(1), two equivalent Yb(2), two equivalent Yb(4), and two equivalent Yb(5) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one Yb(1), one Yb(2), one Yb(4), one Yb(5), one Yb(6), three equivalent Yb(3), and one Al(1) atom. In the third Sb site, Sb(3) is bonded in a 9-coordinate geometry to one Yb(4), one Yb(5), two equivalent Yb(1), two equivalent Yb(2), two equivalent Yb(3), and one Sb(3) atom. In the fourth Sb site, Sb(4) is bonded in a 7-coordinate geometry to one Yb(1), one Yb(2), one Yb(3), one Yb(5), one Yb(6), two equivalent Yb(4), and one Al(1) atom. In the fifth Sb site, Sb(5) is bonded in a 8-coordinate geometry to one Yb(1), one Yb(3), one Yb(4), one Yb(6), two equivalent Yb(2), and two equivalent Yb(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb11AlSb9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.892
_cell_length_b   11.892
_cell_length_c   11.891
_cell_angle_alpha   121.110
_cell_angle_beta   117.577
_cell_angle_gamma   91.168
_symmetry_Int_Tables_number   1
_cell_volume   1199.181
_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
  Yb  Yb0  1  0.045  0.287  0.125  1.0
  Yb  Yb1  1  0.162  0.920  0.875  1.0
  Yb  Yb2  1  0.545  0.420  0.758  1.0
  Yb  Yb3  1  0.662  0.787  0.242  1.0
  Yb  Yb4  1  0.400  0.530  0.235  1.0
  Yb  Yb5  1  0.295  0.164  0.765  1.0
  Yb  Yb6  1  0.900  0.664  0.869  1.0
  Yb  Yb7  1  0.795  0.030  0.131  1.0
  Yb  Yb8  1  0.801  0.638  0.488  1.0
  Yb  Yb9  1  0.150  0.313  0.512  1.0
  Yb  Yb10  1  0.301  0.813  0.163  1.0
  Yb  Yb11  1  0.650  0.139  0.837  1.0
  Yb  Yb12  1  0.862  0.543  0.135  1.0
  Yb  Yb13  1  0.408  0.727  0.865  1.0
  Yb  Yb14  1  0.362  0.227  0.319  1.0
  Yb  Yb15  1  0.908  0.043  0.681  1.0
  Yb  Yb16  1  0.539  0.244  0.153  1.0
  Yb  Yb17  1  0.091  0.386  0.847  1.0
  Yb  Yb18  1  0.039  0.886  0.295  1.0
  Yb  Yb19  1  0.591  0.744  0.705  1.0
  Yb  Yb20  1  0.298  0.798  0.500  1.0
  Yb  Yb21  1  0.798  0.298  0.500  1.0
  Al  Al22  1  0.578  0.078  0.500  1.0
  Al  Al23  1  0.078  0.578  0.500  1.0
  Sb  Sb24  1  0.224  0.224  1.000  1.0
  Sb  Sb25  1  0.724  0.724  0.000  1.0
  Sb  Sb26  1  0.586  0.841  0.483  1.0
  Sb  Sb27  1  0.358  0.103  0.517  1.0
  Sb  Sb28  1  0.086  0.603  0.745  1.0
  Sb  Sb29  1  0.858  0.341  0.255  1.0
  Sb  Sb30  1  0.588  0.442  0.075  1.0
  Sb  Sb31  1  0.367  0.513  0.925  1.0
  Sb  Sb32  1  0.088  0.013  0.146  1.0
  Sb  Sb33  1  0.867  0.942  0.854  1.0
  Sb  Sb34  1  0.027  0.807  0.508  1.0
  Sb  Sb35  1  0.299  0.519  0.492  1.0
  Sb  Sb36  1  0.527  0.019  0.220  1.0
  Sb  Sb37  1  0.799  0.307  0.780  1.0
  Sb  Sb38  1  0.472  0.972  0.855  1.0
  Sb  Sb39  1  0.116  0.616  0.145  1.0
  Sb  Sb40  1  0.972  0.116  0.500  1.0
  Sb  Sb41  1  0.616  0.472  0.500  1.0
[/CIF]
.
The material described by Yb11AlSb9 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Iba2 space group. There are six inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 5-coordinate geometry to one Sb(1), one Sb(2), one Sb(4), one Sb(5), and two equivalent Sb(3) atoms. In the second Yb site, Yb(2) is bonded in a 7-coordinate geometry to one Sb(1), one Sb(2), one Sb(4), two equivalent Sb(3), and two equivalent Sb(5) atoms. In the third Yb site, Yb(3) is bonded in a 8-coordinate geometry to one Al(1), one Sb(4), one Sb(5), two equivalent Sb(3), and three equivalent Sb(2) atoms. In the fourth Yb site, Yb(4) is bonded in a 6-coordinate geometry to one Sb(1), one Sb(2), one Sb(3), one Sb(5), and two equivalent Sb(4) atoms. In the fifth Yb site, Yb(5) is bonded to one Sb(1), one Sb(2), one Sb(3), one Sb(4), and two equivalent Sb(5) atoms to form distorted corner-sharing YbSb6 octahedra. The corner-sharing octahedral tilt angles range from 36-56°. In the sixth Yb site, Yb(6) is bonded in a 6-coordinate geometry to two equivalent Sb(2), two equivalent Sb(4), and two equivalent Sb(5) atoms. Al(1) is bonded in a 4-coordinate geometry to two equivalent Yb(3), two equivalent Sb(2), and two equivalent Sb(4) atoms. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Yb(1), two equivalent Yb(2), two equivalent Yb(4), and two equivalent Yb(5) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one Yb(1), one Yb(2), one Yb(4), one Yb(5), one Yb(6), three equivalent Yb(3), and one Al(1) atom. In the third Sb site, Sb(3) is bonded in a 9-coordinate geometry to one Yb(4), one Yb(5), two equivalent Yb(1), two equivalent Yb(2), two equivalent Yb(3), and one Sb(3) atom. In the fourth Sb site, Sb(4) is bonded in a 7-coordinate geometry to one Yb(1), one Yb(2), one Yb(3), one Yb(5), one Yb(6), two equivalent Yb(4), and one Al(1) atom. In the fifth Sb site, Sb(5) is bonded in a 8-coordinate geometry to one Yb(1), one Yb(3), one Yb(4), one Yb(6), two equivalent Yb(2), and two equivalent Yb(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb11AlSb9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.892
_cell_length_b   11.892
_cell_length_c   11.891
_cell_angle_alpha   121.110
_cell_angle_beta   117.577
_cell_angle_gamma   91.168
_symmetry_Int_Tables_number   1
_cell_volume   1199.181
_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
  Yb  Yb0  1  0.045  0.287  0.125  1.0
  Yb  Yb1  1  0.162  0.920  0.875  1.0
  Yb  Yb2  1  0.545  0.420  0.758  1.0
  Yb  Yb3  1  0.662  0.787  0.242  1.0
  Yb  Yb4  1  0.400  0.530  0.235  1.0
  Yb  Yb5  1  0.295  0.164  0.765  1.0
  Yb  Yb6  1  0.900  0.664  0.869  1.0
  Yb  Yb7  1  0.795  0.030  0.131  1.0
  Yb  Yb8  1  0.801  0.638  0.488  1.0
  Yb  Yb9  1  0.150  0.313  0.512  1.0
  Yb  Yb10  1  0.301  0.813  0.163  1.0
  Yb  Yb11  1  0.650  0.139  0.837  1.0
  Yb  Yb12  1  0.862  0.543  0.135  1.0
  Yb  Yb13  1  0.408  0.727  0.865  1.0
  Yb  Yb14  1  0.362  0.227  0.319  1.0
  Yb  Yb15  1  0.908  0.043  0.681  1.0
  Yb  Yb16  1  0.539  0.244  0.153  1.0
  Yb  Yb17  1  0.091  0.386  0.847  1.0
  Yb  Yb18  1  0.039  0.886  0.295  1.0
  Yb  Yb19  1  0.591  0.744  0.705  1.0
  Yb  Yb20  1  0.298  0.798  0.500  1.0
  Yb  Yb21  1  0.798  0.298  0.500  1.0
  Al  Al22  1  0.578  0.078  0.500  1.0
  Al  Al23  1  0.078  0.578  0.500  1.0
  Sb  Sb24  1  0.224  0.224  1.000  1.0
  Sb  Sb25  1  0.724  0.724  0.000  1.0
  Sb  Sb26  1  0.586  0.841  0.483  1.0
  Sb  Sb27  1  0.358  0.103  0.517  1.0
  Sb  Sb28  1  0.086  0.603  0.745  1.0
  Sb  Sb29  1  0.858  0.341  0.255  1.0
  Sb  Sb30  1  0.588  0.442  0.075  1.0
  Sb  Sb31  1  0.367  0.513  0.925  1.0
  Sb  Sb32  1  0.088  0.013  0.146  1.0
  Sb  Sb33  1  0.867  0.942  0.854  1.0
  Sb  Sb34  1  0.027  0.807  0.508  1.0
  Sb  Sb35  1  0.299  0.519  0.492  1.0
  Sb  Sb36  1  0.527  0.019  0.220  1.0
  Sb  Sb37  1  0.799  0.307  0.780  1.0
  Sb  Sb38  1  0.472  0.972  0.855  1.0
  Sb  Sb39  1  0.116  0.616  0.145  1.0
  Sb  Sb40  1  0.972  0.116  0.500  1.0
  Sb  Sb41  1  0.616  0.472  0.500  1.0
[/CIF]
.