The compound described by Ba11Sb10 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic Immm space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one Sb(2), two equivalent Sb(4), two equivalent Sb(5), and two equivalent Sb(6) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to four equivalent Sb(5) and four equivalent Sb(6) atoms. In the third Ba site, Ba(3) is bonded to one Sb(1), one Sb(2), one Sb(3), and four equivalent Sb(5) atoms to form a mixture of distorted corner and edge-sharing BaSb7 pentagonal bipyramids. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to one Sb(2), two equivalent Sb(3), two equivalent Sb(5), and two equivalent Sb(6) atoms. In the fifth Ba site, Ba(5) is bonded in a 6-coordinate geometry to one Sb(1), one Sb(2), and four equivalent Sb(5) atoms. In the sixth Ba site, Ba(6) is bonded in a 5-coordinate geometry to one Sb(3), one Sb(4), one Sb(6), and two equivalent Sb(1) 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(3), two equivalent Ba(5), and four equivalent Ba(6) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), two equivalent Ba(4), and two equivalent Ba(5) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to two equivalent Ba(3), two equivalent Ba(6), and four equivalent Ba(4) atoms. In the fourth Sb site, Sb(4) is bonded in a 7-coordinate geometry to two equivalent Ba(6), four equivalent Ba(1), and one Sb(4) atom. In the fifth Sb site, Sb(5) is bonded in a 8-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), two equivalent Ba(3), two equivalent Ba(5), and one Sb(5) atom. In the sixth Sb site, Sb(6) is bonded in a 8-coordinate geometry to one Ba(6), two equivalent Ba(1), two equivalent Ba(2), two equivalent Ba(4), and one Sb(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba11Sb10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.817
_cell_length_b   13.349
_cell_length_c   13.595
_cell_angle_alpha   119.403
_cell_angle_beta   118.125
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1704.061
_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
  Ba  Ba0  1  0.111  0.433  0.221  1.0
  Ba  Ba1  1  0.889  0.567  0.779  1.0
  Ba  Ba2  1  0.889  0.212  0.779  1.0
  Ba  Ba3  1  0.111  0.788  0.221  1.0
  Ba  Ba4  1  0.147  0.147  0.294  1.0
  Ba  Ba5  1  0.853  0.853  0.706  1.0
  Ba  Ba6  1  0.313  0.565  0.627  1.0
  Ba  Ba7  1  0.687  0.435  0.373  1.0
  Ba  Ba8  1  0.687  0.939  0.373  1.0
  Ba  Ba9  1  0.313  0.061  0.627  1.0
  Ba  Ba10  1  0.427  0.100  0.200  1.0
  Ba  Ba11  1  0.228  0.900  0.800  1.0
  Ba  Ba12  1  0.573  0.900  0.800  1.0
  Ba  Ba13  1  0.772  0.100  0.200  1.0
  Ba  Ba14  1  0.553  0.304  0.607  1.0
  Ba  Ba15  1  0.946  0.696  0.393  1.0
  Ba  Ba16  1  0.447  0.696  0.393  1.0
  Ba  Ba17  1  0.054  0.304  0.607  1.0
  Ba  Ba18  1  0.326  0.336  0.000  1.0
  Ba  Ba19  1  0.326  0.664  0.000  1.0
  Ba  Ba20  1  0.674  0.336  0.000  1.0
  Ba  Ba21  1  0.674  0.664  0.000  1.0
  Sb  Sb22  1  0.386  0.386  0.772  1.0
  Sb  Sb23  1  0.614  0.614  0.228  1.0
  Sb  Sb24  1  0.745  0.245  0.489  1.0
  Sb  Sb25  1  0.255  0.755  0.511  1.0
  Sb  Sb26  1  0.500  0.848  0.000  1.0
  Sb  Sb27  1  0.500  0.152  0.000  1.0
  Sb  Sb28  1  0.113  0.500  0.000  1.0
  Sb  Sb29  1  0.887  0.500  0.000  1.0
  Sb  Sb30  1  0.400  0.397  0.371  1.0
  Sb  Sb31  1  0.029  0.603  0.629  1.0
  Sb  Sb32  1  0.600  0.026  0.629  1.0
  Sb  Sb33  1  0.971  0.974  0.371  1.0
  Sb  Sb34  1  0.600  0.603  0.629  1.0
  Sb  Sb35  1  0.971  0.397  0.371  1.0
  Sb  Sb36  1  0.400  0.974  0.371  1.0
  Sb  Sb37  1  0.029  0.026  0.629  1.0
  Sb  Sb38  1  0.109  0.130  0.000  1.0
  Sb  Sb39  1  0.109  0.870  0.000  1.0
  Sb  Sb40  1  0.891  0.130  0.000  1.0
  Sb  Sb41  1  0.891  0.870  0.000  1.0
[/CIF]
.
The compound described by Ba11Sb10 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic Immm space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one Sb(2), two equivalent Sb(4), two equivalent Sb(5), and two equivalent Sb(6) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to four equivalent Sb(5) and four equivalent Sb(6) atoms. In the third Ba site, Ba(3) is bonded to one Sb(1), one Sb(2), one Sb(3), and four equivalent Sb(5) atoms to form a mixture of distorted corner and edge-sharing BaSb7 pentagonal bipyramids. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to one Sb(2), two equivalent Sb(3), two equivalent Sb(5), and two equivalent Sb(6) atoms. In the fifth Ba site, Ba(5) is bonded in a 6-coordinate geometry to one Sb(1), one Sb(2), and four equivalent Sb(5) atoms. In the sixth Ba site, Ba(6) is bonded in a 5-coordinate geometry to one Sb(3), one Sb(4), one Sb(6), and two equivalent Sb(1) 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(3), two equivalent Ba(5), and four equivalent Ba(6) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), two equivalent Ba(4), and two equivalent Ba(5) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to two equivalent Ba(3), two equivalent Ba(6), and four equivalent Ba(4) atoms. In the fourth Sb site, Sb(4) is bonded in a 7-coordinate geometry to two equivalent Ba(6), four equivalent Ba(1), and one Sb(4) atom. In the fifth Sb site, Sb(5) is bonded in a 8-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), two equivalent Ba(3), two equivalent Ba(5), and one Sb(5) atom. In the sixth Sb site, Sb(6) is bonded in a 8-coordinate geometry to one Ba(6), two equivalent Ba(1), two equivalent Ba(2), two equivalent Ba(4), and one Sb(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba11Sb10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.817
_cell_length_b   13.349
_cell_length_c   13.595
_cell_angle_alpha   119.403
_cell_angle_beta   118.125
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1704.061
_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
  Ba  Ba0  1  0.111  0.433  0.221  1.0
  Ba  Ba1  1  0.889  0.567  0.779  1.0
  Ba  Ba2  1  0.889  0.212  0.779  1.0
  Ba  Ba3  1  0.111  0.788  0.221  1.0
  Ba  Ba4  1  0.147  0.147  0.294  1.0
  Ba  Ba5  1  0.853  0.853  0.706  1.0
  Ba  Ba6  1  0.313  0.565  0.627  1.0
  Ba  Ba7  1  0.687  0.435  0.373  1.0
  Ba  Ba8  1  0.687  0.939  0.373  1.0
  Ba  Ba9  1  0.313  0.061  0.627  1.0
  Ba  Ba10  1  0.427  0.100  0.200  1.0
  Ba  Ba11  1  0.228  0.900  0.800  1.0
  Ba  Ba12  1  0.573  0.900  0.800  1.0
  Ba  Ba13  1  0.772  0.100  0.200  1.0
  Ba  Ba14  1  0.553  0.304  0.607  1.0
  Ba  Ba15  1  0.946  0.696  0.393  1.0
  Ba  Ba16  1  0.447  0.696  0.393  1.0
  Ba  Ba17  1  0.054  0.304  0.607  1.0
  Ba  Ba18  1  0.326  0.336  0.000  1.0
  Ba  Ba19  1  0.326  0.664  0.000  1.0
  Ba  Ba20  1  0.674  0.336  0.000  1.0
  Ba  Ba21  1  0.674  0.664  0.000  1.0
  Sb  Sb22  1  0.386  0.386  0.772  1.0
  Sb  Sb23  1  0.614  0.614  0.228  1.0
  Sb  Sb24  1  0.745  0.245  0.489  1.0
  Sb  Sb25  1  0.255  0.755  0.511  1.0
  Sb  Sb26  1  0.500  0.848  0.000  1.0
  Sb  Sb27  1  0.500  0.152  0.000  1.0
  Sb  Sb28  1  0.113  0.500  0.000  1.0
  Sb  Sb29  1  0.887  0.500  0.000  1.0
  Sb  Sb30  1  0.400  0.397  0.371  1.0
  Sb  Sb31  1  0.029  0.603  0.629  1.0
  Sb  Sb32  1  0.600  0.026  0.629  1.0
  Sb  Sb33  1  0.971  0.974  0.371  1.0
  Sb  Sb34  1  0.600  0.603  0.629  1.0
  Sb  Sb35  1  0.971  0.397  0.371  1.0
  Sb  Sb36  1  0.400  0.974  0.371  1.0
  Sb  Sb37  1  0.029  0.026  0.629  1.0
  Sb  Sb38  1  0.109  0.130  0.000  1.0
  Sb  Sb39  1  0.109  0.870  0.000  1.0
  Sb  Sb40  1  0.891  0.130  0.000  1.0
  Sb  Sb41  1  0.891  0.870  0.000  1.0
[/CIF]
.