The material described by Ba(AuIn)2 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 11-coordinate geometry to three equivalent Au(1), four equivalent Au(2), two equivalent In(1), and two equivalent In(2) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 9-coordinate geometry to three equivalent Ba(1), two equivalent Au(1), one In(2), and three equivalent In(1) atoms. In the second Au site, Au(2) is bonded in a 9-coordinate geometry to four equivalent Ba(1), two equivalent In(1), and three equivalent In(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Au(2), and three equivalent Au(1) atoms. In the second In site, In(2) is bonded to two equivalent Ba(1), one Au(1), and three equivalent Au(2) atoms to form a mixture of distorted corner and edge-sharing InBa2Au4 tetrahedra. is represented by the CIF card [CIF]
data_Ba(InAu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.760
_cell_length_b   8.835
_cell_length_c   12.568
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   528.560
_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  0.750  0.720  0.333  1.0
  Ba  Ba1  1  0.250  0.780  0.833  1.0
  Ba  Ba2  1  0.250  0.280  0.667  1.0
  Ba  Ba3  1  0.750  0.220  0.167  1.0
  In  In4  1  0.250  0.362  0.358  1.0
  In  In5  1  0.250  0.862  0.142  1.0
  In  In6  1  0.750  0.602  0.049  1.0
  In  In7  1  0.750  0.638  0.642  1.0
  In  In8  1  0.750  0.138  0.858  1.0
  In  In9  1  0.250  0.898  0.549  1.0
  In  In10  1  0.750  0.102  0.451  1.0
  In  In11  1  0.250  0.398  0.951  1.0
  Au  Au12  1  0.250  0.090  0.979  1.0
  Au  Au13  1  0.750  0.472  0.837  1.0
  Au  Au14  1  0.750  0.972  0.663  1.0
  Au  Au15  1  0.250  0.528  0.163  1.0
  Au  Au16  1  0.250  0.028  0.337  1.0
  Au  Au17  1  0.750  0.910  0.021  1.0
  Au  Au18  1  0.250  0.590  0.521  1.0
  Au  Au19  1  0.750  0.410  0.479  1.0
[/CIF]
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The material described by Ba(AuIn)2 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 11-coordinate geometry to three equivalent Au(1), four equivalent Au(2), two equivalent In(1), and two equivalent In(2) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 9-coordinate geometry to three equivalent Ba(1), two equivalent Au(1), one In(2), and three equivalent In(1) atoms. In the second Au site, Au(2) is bonded in a 9-coordinate geometry to four equivalent Ba(1), two equivalent In(1), and three equivalent In(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Au(2), and three equivalent Au(1) atoms. In the second In site, In(2) is bonded to two equivalent Ba(1), one Au(1), and three equivalent Au(2) atoms to form a mixture of distorted corner and edge-sharing InBa2Au4 tetrahedra. is represented by the CIF card [CIF]
data_Ba(InAu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.760
_cell_length_b   8.835
_cell_length_c   12.568
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   528.560
_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  0.750  0.720  0.333  1.0
  Ba  Ba1  1  0.250  0.780  0.833  1.0
  Ba  Ba2  1  0.250  0.280  0.667  1.0
  Ba  Ba3  1  0.750  0.220  0.167  1.0
  In  In4  1  0.250  0.362  0.358  1.0
  In  In5  1  0.250  0.862  0.142  1.0
  In  In6  1  0.750  0.602  0.049  1.0
  In  In7  1  0.750  0.638  0.642  1.0
  In  In8  1  0.750  0.138  0.858  1.0
  In  In9  1  0.250  0.898  0.549  1.0
  In  In10  1  0.750  0.102  0.451  1.0
  In  In11  1  0.250  0.398  0.951  1.0
  Au  Au12  1  0.250  0.090  0.979  1.0
  Au  Au13  1  0.750  0.472  0.837  1.0
  Au  Au14  1  0.750  0.972  0.663  1.0
  Au  Au15  1  0.250  0.528  0.163  1.0
  Au  Au16  1  0.250  0.028  0.337  1.0
  Au  Au17  1  0.750  0.910  0.021  1.0
  Au  Au18  1  0.250  0.590  0.521  1.0
  Au  Au19  1  0.750  0.410  0.479  1.0
[/CIF]
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