The material described by AuAgO3 crystallizes in the orthorhombic Cmcm space group. Au(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted L-shaped geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Ag site, Ag(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form edge-sharing AgO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to two equivalent Au(1) and one O(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ag(1), one Ag(2), and one O(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Au(1), one Ag(1), and two equivalent Ag(2) atoms. is represented by the CIF file [CIF]
data_AgAuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.424
_cell_length_b   6.424
_cell_length_c   7.540
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   108.919
_symmetry_Int_Tables_number   1
_cell_volume   294.295
_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
  Ag  Ag0  1  0.638  0.362  0.250  1.0
  Ag  Ag1  1  1.000  0.000  0.750  1.0
  Ag  Ag2  1  0.362  0.638  0.750  1.0
  Ag  Ag3  1  0.000  1.000  0.250  1.0
  Au  Au4  1  0.500  0.000  0.000  1.0
  Au  Au5  1  0.500  0.000  0.500  1.0
  Au  Au6  1  0.000  0.500  0.000  1.0
  Au  Au7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.477  0.186  0.750  1.0
  O  O9  1  0.186  0.477  0.250  1.0
  O  O10  1  0.268  0.307  0.250  1.0
  O  O11  1  0.307  0.268  0.750  1.0
  O  O12  1  0.839  0.161  0.019  1.0
  O  O13  1  0.839  0.161  0.481  1.0
  O  O14  1  0.161  0.839  0.519  1.0
  O  O15  1  0.161  0.839  0.981  1.0
  O  O16  1  0.732  0.693  0.750  1.0
  O  O17  1  0.693  0.732  0.250  1.0
  O  O18  1  0.523  0.814  0.250  1.0
  O  O19  1  0.814  0.523  0.750  1.0
[/CIF]
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The material described by AuAgO3 crystallizes in the orthorhombic Cmcm space group. Au(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted L-shaped geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Ag site, Ag(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form edge-sharing AgO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to two equivalent Au(1) and one O(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ag(1), one Ag(2), and one O(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Au(1), one Ag(1), and two equivalent Ag(2) atoms. is represented by the CIF file [CIF]
data_AgAuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.424
_cell_length_b   6.424
_cell_length_c   7.540
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   108.919
_symmetry_Int_Tables_number   1
_cell_volume   294.295
_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
  Ag  Ag0  1  0.638  0.362  0.250  1.0
  Ag  Ag1  1  1.000  0.000  0.750  1.0
  Ag  Ag2  1  0.362  0.638  0.750  1.0
  Ag  Ag3  1  0.000  1.000  0.250  1.0
  Au  Au4  1  0.500  0.000  0.000  1.0
  Au  Au5  1  0.500  0.000  0.500  1.0
  Au  Au6  1  0.000  0.500  0.000  1.0
  Au  Au7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.477  0.186  0.750  1.0
  O  O9  1  0.186  0.477  0.250  1.0
  O  O10  1  0.268  0.307  0.250  1.0
  O  O11  1  0.307  0.268  0.750  1.0
  O  O12  1  0.839  0.161  0.019  1.0
  O  O13  1  0.839  0.161  0.481  1.0
  O  O14  1  0.161  0.839  0.519  1.0
  O  O15  1  0.161  0.839  0.981  1.0
  O  O16  1  0.732  0.693  0.750  1.0
  O  O17  1  0.693  0.732  0.250  1.0
  O  O18  1  0.523  0.814  0.250  1.0
  O  O19  1  0.814  0.523  0.750  1.0
[/CIF]
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