The material structure described by Ba2AuIn3 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to three equivalent Au(1), three equivalent In(1), three equivalent In(2), and three equivalent In(3) atoms. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to three equivalent Au(1), three equivalent In(1), three equivalent In(2), and three equivalent In(3) atoms. Au(1) is bonded in a 10-coordinate geometry to three equivalent Ba(1), three equivalent Ba(2), one In(1), one In(3), and two equivalent In(2) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 10-coordinate geometry to three equivalent Ba(1), three equivalent Ba(2), one Au(1), one In(2), and two equivalent In(3) atoms. In the second In site, In(2) is bonded in a distorted bent 120 degrees geometry to three equivalent Ba(1), three equivalent Ba(2), two equivalent Au(1), one In(1), and one In(3) atom. In the third In site, In(3) is bonded in a 10-coordinate geometry to three equivalent Ba(1), three equivalent Ba(2), one Au(1), one In(2), and two equivalent In(1) atoms. is represented by the CIF card [CIF]
data_Ba2In3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.533
_cell_length_b   6.533
_cell_length_c   8.425
_cell_angle_alpha   51.897
_cell_angle_beta   51.897
_cell_angle_gamma   46.181
_symmetry_Int_Tables_number   1
_cell_volume   192.430
_cell_formula_units_Z   1
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  0.046  0.046  0.702  1.0
  Ba  Ba1  1  0.953  0.953  0.302  1.0
  In  In2  1  0.656  0.656  0.284  1.0
  In  In3  1  0.673  0.673  0.895  1.0
  In  In4  1  0.337  0.337  0.099  1.0
  Au  Au5  1  0.335  0.335  0.719  1.0
[/CIF]
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The material structure described by Ba2AuIn3 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to three equivalent Au(1), three equivalent In(1), three equivalent In(2), and three equivalent In(3) atoms. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to three equivalent Au(1), three equivalent In(1), three equivalent In(2), and three equivalent In(3) atoms. Au(1) is bonded in a 10-coordinate geometry to three equivalent Ba(1), three equivalent Ba(2), one In(1), one In(3), and two equivalent In(2) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 10-coordinate geometry to three equivalent Ba(1), three equivalent Ba(2), one Au(1), one In(2), and two equivalent In(3) atoms. In the second In site, In(2) is bonded in a distorted bent 120 degrees geometry to three equivalent Ba(1), three equivalent Ba(2), two equivalent Au(1), one In(1), and one In(3) atom. In the third In site, In(3) is bonded in a 10-coordinate geometry to three equivalent Ba(1), three equivalent Ba(2), one Au(1), one In(2), and two equivalent In(1) atoms. is represented by the CIF card [CIF]
data_Ba2In3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.533
_cell_length_b   6.533
_cell_length_c   8.425
_cell_angle_alpha   51.897
_cell_angle_beta   51.897
_cell_angle_gamma   46.181
_symmetry_Int_Tables_number   1
_cell_volume   192.430
_cell_formula_units_Z   1
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  0.046  0.046  0.702  1.0
  Ba  Ba1  1  0.953  0.953  0.302  1.0
  In  In2  1  0.656  0.656  0.284  1.0
  In  In3  1  0.673  0.673  0.895  1.0
  In  In4  1  0.337  0.337  0.099  1.0
  Au  Au5  1  0.335  0.335  0.719  1.0
[/CIF]
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