The material described by Sr11InSb9 crystallizes in the orthorhombic Iba2 space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one In(1), two equivalent Sb(1), two equivalent Sb(3), and two equivalent Sb(4) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one In(1), one Sb(1), one Sb(4), two equivalent Sb(2), and three equivalent Sb(3) atoms. In the third Sr site, Sr(3) 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 fourth Sr site, Sr(4) is bonded in a 5-coordinate geometry to one Sb(3), one Sb(4), one Sb(5), and two equivalent Sb(2) atoms. In the fifth Sr site, Sr(5) is bonded in a 6-coordinate geometry to one Sb(3), one Sb(5), two equivalent Sb(1), and two equivalent Sb(2) atoms. In the sixth Sr site, Sr(6) is bonded to one Sb(2), one Sb(3), one Sb(4), one Sb(5), and two equivalent Sb(1) atoms to form distorted corner-sharing SrSb6 octahedra. The corner-sharing octahedral tilt angles range from 36-56°. In(1) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), two equivalent Sb(3), and two equivalent Sb(4) atoms. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), two equivalent Sr(5), and two equivalent Sr(6) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one Sr(3), one Sr(6), two equivalent Sr(2), two equivalent Sr(4), two equivalent Sr(5), and one Sb(2) atom. In the third Sb site, Sb(3) is bonded in a 9-coordinate geometry to one Sr(1), one Sr(3), one Sr(4), one Sr(5), one Sr(6), three equivalent Sr(2), and one In(1) atom. In the fourth Sb site, Sb(4) is bonded in a 7-coordinate geometry to one Sr(1), one Sr(2), one Sr(4), one Sr(6), two equivalent Sr(3), and one In(1) atom. In the fifth Sb site, Sb(5) is bonded in a 8-coordinate geometry to two equivalent Sr(3), two equivalent Sr(4), two equivalent Sr(5), and two equivalent Sr(6) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr11InSb9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.690
_cell_length_b   12.690
_cell_length_c   12.690
_cell_angle_alpha   120.917
_cell_angle_beta   117.065
_cell_angle_gamma   91.789
_symmetry_Int_Tables_number   1
_cell_volume   1464.209
_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
  Sr  Sr0  1  0.320  0.320  1.000  1.0
  Sr  Sr1  1  0.827  0.842  0.668  1.0
  Sr  Sr2  1  0.431  0.068  0.182  1.0
  Sr  Sr3  1  0.820  0.820  0.000  1.0
  Sr  Sr4  1  0.687  0.945  0.372  1.0
  Sr  Sr5  1  0.426  0.689  0.370  1.0
  Sr  Sr6  1  0.327  0.658  0.985  1.0
  Sr  Sr7  1  0.818  0.189  0.263  1.0
  Sr  Sr8  1  0.621  0.417  0.352  1.0
  Sr  Sr9  1  0.886  0.249  0.818  1.0
  Sr  Sr10  1  0.121  0.769  0.204  1.0
  Sr  Sr11  1  0.187  0.816  0.742  1.0
  Sr  Sr12  1  0.926  0.555  0.737  1.0
  Sr  Sr13  1  0.386  0.568  0.637  1.0
  Sr  Sr14  1  0.065  0.269  0.648  1.0
  Sr  Sr15  1  0.565  0.917  0.796  1.0
  Sr  Sr16  1  0.931  0.749  0.363  1.0
  Sr  Sr17  1  0.673  0.342  0.015  1.0
  Sr  Sr18  1  0.573  0.316  0.628  1.0
  Sr  Sr19  1  0.173  0.158  0.332  1.0
  Sr  Sr20  1  0.073  0.445  0.258  1.0
  Sr  Sr21  1  0.318  0.055  0.630  1.0
  In  In22  1  0.606  0.606  1.000  1.0
  In  In23  1  0.106  0.106  1.000  1.0
  Sb  Sb24  1  0.639  0.642  0.646  1.0
  Sb  Sb25  1  0.400  0.970  0.363  1.0
  Sb  Sb26  1  0.996  0.994  0.354  1.0
  Sb  Sb27  1  0.614  0.627  0.245  1.0
  Sb  Sb28  1  0.050  0.043  0.716  1.0
  Sb  Sb29  1  0.249  0.749  0.500  1.0
  Sb  Sb30  1  0.550  0.834  0.007  1.0
  Sb  Sb31  1  0.749  0.249  0.500  1.0
  Sb  Sb32  1  0.882  0.127  0.013  1.0
  Sb  Sb33  1  0.496  0.142  0.003  1.0
  Sb  Sb34  1  0.139  0.494  0.997  1.0
  Sb  Sb35  1  0.381  0.368  0.755  1.0
  Sb  Sb36  1  0.327  0.334  0.284  1.0
  Sb  Sb37  1  0.900  0.537  0.430  1.0
  Sb  Sb38  1  0.107  0.470  0.570  1.0
  Sb  Sb39  1  0.827  0.543  0.993  1.0
  Sb  Sb40  1  0.607  0.037  0.637  1.0
  Sb  Sb41  1  0.114  0.868  0.987  1.0
[/CIF]
.
The material described by Sr11InSb9 crystallizes in the orthorhombic Iba2 space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one In(1), two equivalent Sb(1), two equivalent Sb(3), and two equivalent Sb(4) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one In(1), one Sb(1), one Sb(4), two equivalent Sb(2), and three equivalent Sb(3) atoms. In the third Sr site, Sr(3) 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 fourth Sr site, Sr(4) is bonded in a 5-coordinate geometry to one Sb(3), one Sb(4), one Sb(5), and two equivalent Sb(2) atoms. In the fifth Sr site, Sr(5) is bonded in a 6-coordinate geometry to one Sb(3), one Sb(5), two equivalent Sb(1), and two equivalent Sb(2) atoms. In the sixth Sr site, Sr(6) is bonded to one Sb(2), one Sb(3), one Sb(4), one Sb(5), and two equivalent Sb(1) atoms to form distorted corner-sharing SrSb6 octahedra. The corner-sharing octahedral tilt angles range from 36-56°. In(1) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), two equivalent Sb(3), and two equivalent Sb(4) atoms. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), two equivalent Sr(5), and two equivalent Sr(6) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one Sr(3), one Sr(6), two equivalent Sr(2), two equivalent Sr(4), two equivalent Sr(5), and one Sb(2) atom. In the third Sb site, Sb(3) is bonded in a 9-coordinate geometry to one Sr(1), one Sr(3), one Sr(4), one Sr(5), one Sr(6), three equivalent Sr(2), and one In(1) atom. In the fourth Sb site, Sb(4) is bonded in a 7-coordinate geometry to one Sr(1), one Sr(2), one Sr(4), one Sr(6), two equivalent Sr(3), and one In(1) atom. In the fifth Sb site, Sb(5) is bonded in a 8-coordinate geometry to two equivalent Sr(3), two equivalent Sr(4), two equivalent Sr(5), and two equivalent Sr(6) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr11InSb9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.690
_cell_length_b   12.690
_cell_length_c   12.690
_cell_angle_alpha   120.917
_cell_angle_beta   117.065
_cell_angle_gamma   91.789
_symmetry_Int_Tables_number   1
_cell_volume   1464.209
_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
  Sr  Sr0  1  0.320  0.320  1.000  1.0
  Sr  Sr1  1  0.827  0.842  0.668  1.0
  Sr  Sr2  1  0.431  0.068  0.182  1.0
  Sr  Sr3  1  0.820  0.820  0.000  1.0
  Sr  Sr4  1  0.687  0.945  0.372  1.0
  Sr  Sr5  1  0.426  0.689  0.370  1.0
  Sr  Sr6  1  0.327  0.658  0.985  1.0
  Sr  Sr7  1  0.818  0.189  0.263  1.0
  Sr  Sr8  1  0.621  0.417  0.352  1.0
  Sr  Sr9  1  0.886  0.249  0.818  1.0
  Sr  Sr10  1  0.121  0.769  0.204  1.0
  Sr  Sr11  1  0.187  0.816  0.742  1.0
  Sr  Sr12  1  0.926  0.555  0.737  1.0
  Sr  Sr13  1  0.386  0.568  0.637  1.0
  Sr  Sr14  1  0.065  0.269  0.648  1.0
  Sr  Sr15  1  0.565  0.917  0.796  1.0
  Sr  Sr16  1  0.931  0.749  0.363  1.0
  Sr  Sr17  1  0.673  0.342  0.015  1.0
  Sr  Sr18  1  0.573  0.316  0.628  1.0
  Sr  Sr19  1  0.173  0.158  0.332  1.0
  Sr  Sr20  1  0.073  0.445  0.258  1.0
  Sr  Sr21  1  0.318  0.055  0.630  1.0
  In  In22  1  0.606  0.606  1.000  1.0
  In  In23  1  0.106  0.106  1.000  1.0
  Sb  Sb24  1  0.639  0.642  0.646  1.0
  Sb  Sb25  1  0.400  0.970  0.363  1.0
  Sb  Sb26  1  0.996  0.994  0.354  1.0
  Sb  Sb27  1  0.614  0.627  0.245  1.0
  Sb  Sb28  1  0.050  0.043  0.716  1.0
  Sb  Sb29  1  0.249  0.749  0.500  1.0
  Sb  Sb30  1  0.550  0.834  0.007  1.0
  Sb  Sb31  1  0.749  0.249  0.500  1.0
  Sb  Sb32  1  0.882  0.127  0.013  1.0
  Sb  Sb33  1  0.496  0.142  0.003  1.0
  Sb  Sb34  1  0.139  0.494  0.997  1.0
  Sb  Sb35  1  0.381  0.368  0.755  1.0
  Sb  Sb36  1  0.327  0.334  0.284  1.0
  Sb  Sb37  1  0.900  0.537  0.430  1.0
  Sb  Sb38  1  0.107  0.470  0.570  1.0
  Sb  Sb39  1  0.827  0.543  0.993  1.0
  Sb  Sb40  1  0.607  0.037  0.637  1.0
  Sb  Sb41  1  0.114  0.868  0.987  1.0
[/CIF]
.