The material described by Ba2PtAu crystallizes in the orthorhombic Pmc2_1 space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one Pt(2), two equivalent Pt(1), two equivalent Au(1), and two equivalent Au(2) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to two equivalent Pt(1), two equivalent Pt(2), one Au(2), and two equivalent Au(1) atoms. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one Pt(2), one Pt(3), two equivalent Pt(1), one Au(1), and two equivalent Au(3) atoms. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to one Pt(1), two equivalent Pt(3), one Au(2), one Au(3), and two equivalent Au(1) atoms. In the fifth Ba site, Ba(5) is bonded in a 7-coordinate geometry to two equivalent Pt(2), two equivalent Pt(3), one Au(2), and two equivalent Au(3) atoms. In the sixth Ba site, Ba(6) is bonded in a 7-coordinate geometry to one Pt(2), two equivalent Pt(3), two equivalent Au(2), and two equivalent Au(3) atoms. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 9-coordinate geometry to one Ba(4), two equivalent Ba(1), two equivalent Ba(2), two equivalent Ba(3), and two equivalent Au(1) atoms. In the second Pt site, Pt(2) is bonded in a 9-coordinate geometry to one Ba(1), one Ba(3), one Ba(6), two equivalent Ba(2), two equivalent Ba(5), and two equivalent Au(2) atoms. In the third Pt site, Pt(3) is bonded in a 9-coordinate geometry to one Ba(3), two equivalent Ba(4), two equivalent Ba(5), two equivalent Ba(6), and two equivalent Au(3) atoms. There are three inequivalent Au sites. In the first Au site, Au(1) is bonded in a 9-coordinate geometry to one Ba(3), two equivalent Ba(1), two equivalent Ba(2), two equivalent Ba(4), and two equivalent Pt(1) atoms. In the second Au site, Au(2) is bonded in a 9-coordinate geometry to one Ba(2), one Ba(4), one Ba(5), two equivalent Ba(1), two equivalent Ba(6), and two equivalent Pt(2) atoms. In the third Au site, Au(3) is bonded in a 9-coordinate geometry to one Ba(4), two equivalent Ba(3), two equivalent Ba(5), two equivalent Ba(6), and two equivalent Pt(3) atoms. is represented by the CIF file [CIF]
data_Ba2PtAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.850
_cell_length_b   12.070
_cell_length_c   13.474
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   788.777
_cell_formula_units_Z   6
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  0.000  0.132  0.579  1.0
  Ba  Ba1  1  0.500  0.358  0.412  1.0
  Ba  Ba2  1  0.000  0.632  0.421  1.0
  Ba  Ba3  1  0.000  0.142  0.255  1.0
  Ba  Ba4  1  0.500  0.867  0.244  1.0
  Ba  Ba5  1  0.500  0.364  0.082  1.0
  Ba  Ba6  1  0.000  0.639  0.084  1.0
  Ba  Ba7  1  0.000  0.139  0.916  1.0
  Ba  Ba8  1  0.500  0.864  0.918  1.0
  Ba  Ba9  1  0.500  0.367  0.756  1.0
  Ba  Ba10  1  0.000  0.642  0.745  1.0
  Ba  Ba11  1  0.500  0.858  0.588  1.0
  Pt  Pt12  1  0.500  0.575  0.583  1.0
  Pt  Pt13  1  0.500  0.075  0.417  1.0
  Pt  Pt14  1  0.000  0.424  0.251  1.0
  Pt  Pt15  1  0.000  0.925  0.084  1.0
  Pt  Pt16  1  0.000  0.425  0.916  1.0
  Pt  Pt17  1  0.000  0.924  0.749  1.0
  Au  Au18  1  0.000  0.923  0.415  1.0
  Au  Au19  1  0.500  0.574  0.250  1.0
  Au  Au20  1  0.500  0.077  0.082  1.0
  Au  Au21  1  0.500  0.577  0.918  1.0
  Au  Au22  1  0.500  0.074  0.750  1.0
  Au  Au23  1  0.000  0.423  0.585  1.0
[/CIF]
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The material described by Ba2PtAu crystallizes in the orthorhombic Pmc2_1 space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one Pt(2), two equivalent Pt(1), two equivalent Au(1), and two equivalent Au(2) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to two equivalent Pt(1), two equivalent Pt(2), one Au(2), and two equivalent Au(1) atoms. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one Pt(2), one Pt(3), two equivalent Pt(1), one Au(1), and two equivalent Au(3) atoms. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to one Pt(1), two equivalent Pt(3), one Au(2), one Au(3), and two equivalent Au(1) atoms. In the fifth Ba site, Ba(5) is bonded in a 7-coordinate geometry to two equivalent Pt(2), two equivalent Pt(3), one Au(2), and two equivalent Au(3) atoms. In the sixth Ba site, Ba(6) is bonded in a 7-coordinate geometry to one Pt(2), two equivalent Pt(3), two equivalent Au(2), and two equivalent Au(3) atoms. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 9-coordinate geometry to one Ba(4), two equivalent Ba(1), two equivalent Ba(2), two equivalent Ba(3), and two equivalent Au(1) atoms. In the second Pt site, Pt(2) is bonded in a 9-coordinate geometry to one Ba(1), one Ba(3), one Ba(6), two equivalent Ba(2), two equivalent Ba(5), and two equivalent Au(2) atoms. In the third Pt site, Pt(3) is bonded in a 9-coordinate geometry to one Ba(3), two equivalent Ba(4), two equivalent Ba(5), two equivalent Ba(6), and two equivalent Au(3) atoms. There are three inequivalent Au sites. In the first Au site, Au(1) is bonded in a 9-coordinate geometry to one Ba(3), two equivalent Ba(1), two equivalent Ba(2), two equivalent Ba(4), and two equivalent Pt(1) atoms. In the second Au site, Au(2) is bonded in a 9-coordinate geometry to one Ba(2), one Ba(4), one Ba(5), two equivalent Ba(1), two equivalent Ba(6), and two equivalent Pt(2) atoms. In the third Au site, Au(3) is bonded in a 9-coordinate geometry to one Ba(4), two equivalent Ba(3), two equivalent Ba(5), two equivalent Ba(6), and two equivalent Pt(3) atoms. is represented by the CIF file [CIF]
data_Ba2PtAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.850
_cell_length_b   12.070
_cell_length_c   13.474
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   788.777
_cell_formula_units_Z   6
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  0.000  0.132  0.579  1.0
  Ba  Ba1  1  0.500  0.358  0.412  1.0
  Ba  Ba2  1  0.000  0.632  0.421  1.0
  Ba  Ba3  1  0.000  0.142  0.255  1.0
  Ba  Ba4  1  0.500  0.867  0.244  1.0
  Ba  Ba5  1  0.500  0.364  0.082  1.0
  Ba  Ba6  1  0.000  0.639  0.084  1.0
  Ba  Ba7  1  0.000  0.139  0.916  1.0
  Ba  Ba8  1  0.500  0.864  0.918  1.0
  Ba  Ba9  1  0.500  0.367  0.756  1.0
  Ba  Ba10  1  0.000  0.642  0.745  1.0
  Ba  Ba11  1  0.500  0.858  0.588  1.0
  Pt  Pt12  1  0.500  0.575  0.583  1.0
  Pt  Pt13  1  0.500  0.075  0.417  1.0
  Pt  Pt14  1  0.000  0.424  0.251  1.0
  Pt  Pt15  1  0.000  0.925  0.084  1.0
  Pt  Pt16  1  0.000  0.425  0.916  1.0
  Pt  Pt17  1  0.000  0.924  0.749  1.0
  Au  Au18  1  0.000  0.923  0.415  1.0
  Au  Au19  1  0.500  0.574  0.250  1.0
  Au  Au20  1  0.500  0.077  0.082  1.0
  Au  Au21  1  0.500  0.577  0.918  1.0
  Au  Au22  1  0.500  0.074  0.750  1.0
  Au  Au23  1  0.000  0.423  0.585  1.0
[/CIF]
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