The material described by Ba(InSb2)2 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 9-coordinate geometry to one Sb(4), two equivalent Sb(3), three equivalent Sb(1), and three equivalent Sb(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to one Sb(2), one Sb(4), and two equivalent Sb(1) atoms to form corner-sharing InSb4 tetrahedra. In the second In site, In(2) is bonded to one Sb(1), one Sb(3), and two equivalent Sb(4) atoms to form corner-sharing InSb4 tetrahedra. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to three equivalent Ba(1), one In(2), and two equivalent In(1) atoms to form distorted edge-sharing SbBa3In3 octahedra. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to three equivalent Ba(1), one In(1), and two equivalent Sb(3) atoms. In the third Sb site, Sb(3) is bonded in a 7-coordinate geometry to two equivalent Ba(1), one In(2), two equivalent Sb(2), and two equivalent Sb(4) atoms. In the fourth Sb site, Sb(4) is bonded in a distorted see-saw-like geometry to one Ba(1), one In(1), two equivalent In(2), and two equivalent Sb(3) atoms. is represented by the CIF card [CIF]
data_Ba(InSb2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.587
_cell_length_b   10.441
_cell_length_c   19.872
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   951.741
_cell_formula_units_Z   4
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  0.250  0.752  0.545  1.0
  Ba  Ba1  1  0.750  0.248  0.455  1.0
  Ba  Ba2  1  0.750  0.748  0.045  1.0
  Ba  Ba3  1  0.250  0.252  0.955  1.0
  In  In4  1  0.250  0.650  0.864  1.0
  In  In5  1  0.750  0.350  0.136  1.0
  In  In6  1  0.750  0.850  0.364  1.0
  In  In7  1  0.250  0.150  0.636  1.0
  In  In8  1  0.250  0.623  0.230  1.0
  In  In9  1  0.750  0.377  0.770  1.0
  In  In10  1  0.750  0.877  0.730  1.0
  In  In11  1  0.250  0.123  0.270  1.0
  Sb  Sb12  1  0.250  0.501  0.098  1.0
  Sb  Sb13  1  0.750  0.499  0.902  1.0
  Sb  Sb14  1  0.750  0.999  0.598  1.0
  Sb  Sb15  1  0.250  0.001  0.402  1.0
  Sb  Sb16  1  0.250  0.898  0.929  1.0
  Sb  Sb17  1  0.750  0.102  0.071  1.0
  Sb  Sb18  1  0.750  0.602  0.429  1.0
  Sb  Sb19  1  0.250  0.398  0.571  1.0
  Sb  Sb20  1  0.250  0.978  0.142  1.0
  Sb  Sb21  1  0.750  0.022  0.858  1.0
  Sb  Sb22  1  0.750  0.522  0.642  1.0
  Sb  Sb23  1  0.250  0.478  0.358  1.0
  Sb  Sb24  1  0.250  0.706  0.725  1.0
  Sb  Sb25  1  0.750  0.294  0.275  1.0
  Sb  Sb26  1  0.750  0.794  0.225  1.0
  Sb  Sb27  1  0.250  0.206  0.775  1.0
[/CIF]
.
The material described by Ba(InSb2)2 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 9-coordinate geometry to one Sb(4), two equivalent Sb(3), three equivalent Sb(1), and three equivalent Sb(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to one Sb(2), one Sb(4), and two equivalent Sb(1) atoms to form corner-sharing InSb4 tetrahedra. In the second In site, In(2) is bonded to one Sb(1), one Sb(3), and two equivalent Sb(4) atoms to form corner-sharing InSb4 tetrahedra. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to three equivalent Ba(1), one In(2), and two equivalent In(1) atoms to form distorted edge-sharing SbBa3In3 octahedra. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to three equivalent Ba(1), one In(1), and two equivalent Sb(3) atoms. In the third Sb site, Sb(3) is bonded in a 7-coordinate geometry to two equivalent Ba(1), one In(2), two equivalent Sb(2), and two equivalent Sb(4) atoms. In the fourth Sb site, Sb(4) is bonded in a distorted see-saw-like geometry to one Ba(1), one In(1), two equivalent In(2), and two equivalent Sb(3) atoms. is represented by the CIF card [CIF]
data_Ba(InSb2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.587
_cell_length_b   10.441
_cell_length_c   19.872
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   951.741
_cell_formula_units_Z   4
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  0.250  0.752  0.545  1.0
  Ba  Ba1  1  0.750  0.248  0.455  1.0
  Ba  Ba2  1  0.750  0.748  0.045  1.0
  Ba  Ba3  1  0.250  0.252  0.955  1.0
  In  In4  1  0.250  0.650  0.864  1.0
  In  In5  1  0.750  0.350  0.136  1.0
  In  In6  1  0.750  0.850  0.364  1.0
  In  In7  1  0.250  0.150  0.636  1.0
  In  In8  1  0.250  0.623  0.230  1.0
  In  In9  1  0.750  0.377  0.770  1.0
  In  In10  1  0.750  0.877  0.730  1.0
  In  In11  1  0.250  0.123  0.270  1.0
  Sb  Sb12  1  0.250  0.501  0.098  1.0
  Sb  Sb13  1  0.750  0.499  0.902  1.0
  Sb  Sb14  1  0.750  0.999  0.598  1.0
  Sb  Sb15  1  0.250  0.001  0.402  1.0
  Sb  Sb16  1  0.250  0.898  0.929  1.0
  Sb  Sb17  1  0.750  0.102  0.071  1.0
  Sb  Sb18  1  0.750  0.602  0.429  1.0
  Sb  Sb19  1  0.250  0.398  0.571  1.0
  Sb  Sb20  1  0.250  0.978  0.142  1.0
  Sb  Sb21  1  0.750  0.022  0.858  1.0
  Sb  Sb22  1  0.750  0.522  0.642  1.0
  Sb  Sb23  1  0.250  0.478  0.358  1.0
  Sb  Sb24  1  0.250  0.706  0.725  1.0
  Sb  Sb25  1  0.750  0.294  0.275  1.0
  Sb  Sb26  1  0.750  0.794  0.225  1.0
  Sb  Sb27  1  0.250  0.206  0.775  1.0
[/CIF]
.