The structure described by Ba2Au(CO)2 crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent C(1), two equivalent C(2), and four equivalent O(1) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Au site, Au(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one C(2) atom. In the second C site, C(2) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one C(1) atom. O(1) is bonded to four equivalent Ba(1), one Au(1), and one Au(2) atom to form a mixture of corner, face, and edge-sharing OBa4Au2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Ba2Au(CO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.240
_cell_length_b   4.240
_cell_length_c   7.894
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   141.914
_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
  Au  Au0  1  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.500  0.500  0.239  1.0
  Ba  Ba2  1  0.500  0.500  0.761  1.0
  C  C3  1  1.000  0.000  0.580  1.0
  C  C4  1  1.000  0.000  0.420  1.0
  O  O5  1  0.500  0.000  0.000  1.0
  O  O6  1  0.000  0.500  0.000  1.0
[/CIF]
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The structure described by Ba2Au(CO)2 crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent C(1), two equivalent C(2), and four equivalent O(1) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Au site, Au(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one C(2) atom. In the second C site, C(2) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one C(1) atom. O(1) is bonded to four equivalent Ba(1), one Au(1), and one Au(2) atom to form a mixture of corner, face, and edge-sharing OBa4Au2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Ba2Au(CO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.240
_cell_length_b   4.240
_cell_length_c   7.894
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   141.914
_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
  Au  Au0  1  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.500  0.500  0.239  1.0
  Ba  Ba2  1  0.500  0.500  0.761  1.0
  C  C3  1  1.000  0.000  0.580  1.0
  C  C4  1  1.000  0.000  0.420  1.0
  O  O5  1  0.500  0.000  0.000  1.0
  O  O6  1  0.000  0.500  0.000  1.0
[/CIF]
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