The material described by Ba(AuSb)2 crystallizes in the monoclinic P2_1/m space group. Ba(1) is bonded in a 16-coordinate geometry to four equivalent Au(1), four equivalent Au(2), four equivalent Sb(1), and four equivalent Sb(2) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 10-coordinate geometry to four equivalent Ba(1), two equivalent Au(1), and four equivalent Sb(2) atoms. In the second Au site, Au(2) is bonded in a 9-coordinate geometry to four equivalent Ba(1), one Sb(2), and four equivalent Sb(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent Ba(1) and four equivalent Au(2) atoms. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to four equivalent Ba(1), one Au(2), and four equivalent Au(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(SbAu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.851
_cell_length_b   5.007
_cell_length_c   11.052
_cell_angle_alpha   91.033
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   268.433
_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  0.250  0.260  0.755  1.0
  Ba  Ba1  1  0.750  0.740  0.245  1.0
  Sb  Sb2  1  0.750  0.248  0.503  1.0
  Sb  Sb3  1  0.250  0.752  0.497  1.0
  Sb  Sb4  1  0.250  0.200  0.123  1.0
  Sb  Sb5  1  0.750  0.800  0.877  1.0
  Au  Au6  1  0.750  0.306  0.001  1.0
  Au  Au7  1  0.750  0.748  0.630  1.0
  Au  Au8  1  0.250  0.252  0.370  1.0
  Au  Au9  1  0.250  0.694  0.999  1.0
[/CIF]
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The material described by Ba(AuSb)2 crystallizes in the monoclinic P2_1/m space group. Ba(1) is bonded in a 16-coordinate geometry to four equivalent Au(1), four equivalent Au(2), four equivalent Sb(1), and four equivalent Sb(2) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 10-coordinate geometry to four equivalent Ba(1), two equivalent Au(1), and four equivalent Sb(2) atoms. In the second Au site, Au(2) is bonded in a 9-coordinate geometry to four equivalent Ba(1), one Sb(2), and four equivalent Sb(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to four equivalent Ba(1) and four equivalent Au(2) atoms. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to four equivalent Ba(1), one Au(2), and four equivalent Au(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(SbAu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.851
_cell_length_b   5.007
_cell_length_c   11.052
_cell_angle_alpha   91.033
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   268.433
_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  0.250  0.260  0.755  1.0
  Ba  Ba1  1  0.750  0.740  0.245  1.0
  Sb  Sb2  1  0.750  0.248  0.503  1.0
  Sb  Sb3  1  0.250  0.752  0.497  1.0
  Sb  Sb4  1  0.250  0.200  0.123  1.0
  Sb  Sb5  1  0.750  0.800  0.877  1.0
  Au  Au6  1  0.750  0.306  0.001  1.0
  Au  Au7  1  0.750  0.748  0.630  1.0
  Au  Au8  1  0.250  0.252  0.370  1.0
  Au  Au9  1  0.250  0.694  0.999  1.0
[/CIF]
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