The material described by OsAu3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Os(1) is bonded to four equivalent Au(2) and eight equivalent Au(1) atoms to form OsAu12 cuboctahedra that share corners with four equivalent Os(1)Au12 cuboctahedra, corners with eight equivalent Au(2)Os4Au8 cuboctahedra, edges with eight equivalent Os(1)Au12 cuboctahedra, edges with sixteen equivalent Au(1)Os4Au8 cuboctahedra, faces with four equivalent Os(1)Au12 cuboctahedra, faces with six equivalent Au(2)Os4Au8 cuboctahedra, and faces with eight equivalent Au(1)Os4Au8 cuboctahedra. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to four equivalent Os(1), four equivalent Au(1), and four equivalent Au(2) atoms to form distorted AuOs4Au8 cuboctahedra that share corners with twelve equivalent Au(1)Os4Au8 cuboctahedra, edges with eight equivalent Os(1)Au12 cuboctahedra, edges with eight equivalent Au(1)Os4Au8 cuboctahedra, edges with eight equivalent Au(2)Os4Au8 cuboctahedra, faces with four equivalent Os(1)Au12 cuboctahedra, faces with four equivalent Au(2)Os4Au8 cuboctahedra, and faces with ten equivalent Au(1)Os4Au8 cuboctahedra. In the second Au site, Au(2) is bonded to four equivalent Os(1) and eight equivalent Au(1) atoms to form AuOs4Au8 cuboctahedra that share corners with four equivalent Au(2)Os4Au8 cuboctahedra, corners with eight equivalent Os(1)Au12 cuboctahedra, edges with eight equivalent Au(2)Os4Au8 cuboctahedra, edges with sixteen equivalent Au(1)Os4Au8 cuboctahedra, faces with four equivalent Au(2)Os4Au8 cuboctahedra, faces with six equivalent Os(1)Au12 cuboctahedra, and faces with eight equivalent Au(1)Os4Au8 cuboctahedra. is represented by the CIF card [CIF]
data_OsAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.901
_cell_length_b   4.901
_cell_length_c   4.901
_cell_angle_alpha   129.355
_cell_angle_beta   129.355
_cell_angle_gamma   74.440
_symmetry_Int_Tables_number   1
_cell_volume   68.609
_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
  Os  Os0  1  0.000  0.000  0.000  1.0
  Au  Au1  1  0.750  0.250  0.500  1.0
  Au  Au2  1  0.250  0.750  0.500  1.0
  Au  Au3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material described by OsAu3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Os(1) is bonded to four equivalent Au(2) and eight equivalent Au(1) atoms to form OsAu12 cuboctahedra that share corners with four equivalent Os(1)Au12 cuboctahedra, corners with eight equivalent Au(2)Os4Au8 cuboctahedra, edges with eight equivalent Os(1)Au12 cuboctahedra, edges with sixteen equivalent Au(1)Os4Au8 cuboctahedra, faces with four equivalent Os(1)Au12 cuboctahedra, faces with six equivalent Au(2)Os4Au8 cuboctahedra, and faces with eight equivalent Au(1)Os4Au8 cuboctahedra. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to four equivalent Os(1), four equivalent Au(1), and four equivalent Au(2) atoms to form distorted AuOs4Au8 cuboctahedra that share corners with twelve equivalent Au(1)Os4Au8 cuboctahedra, edges with eight equivalent Os(1)Au12 cuboctahedra, edges with eight equivalent Au(1)Os4Au8 cuboctahedra, edges with eight equivalent Au(2)Os4Au8 cuboctahedra, faces with four equivalent Os(1)Au12 cuboctahedra, faces with four equivalent Au(2)Os4Au8 cuboctahedra, and faces with ten equivalent Au(1)Os4Au8 cuboctahedra. In the second Au site, Au(2) is bonded to four equivalent Os(1) and eight equivalent Au(1) atoms to form AuOs4Au8 cuboctahedra that share corners with four equivalent Au(2)Os4Au8 cuboctahedra, corners with eight equivalent Os(1)Au12 cuboctahedra, edges with eight equivalent Au(2)Os4Au8 cuboctahedra, edges with sixteen equivalent Au(1)Os4Au8 cuboctahedra, faces with four equivalent Au(2)Os4Au8 cuboctahedra, faces with six equivalent Os(1)Au12 cuboctahedra, and faces with eight equivalent Au(1)Os4Au8 cuboctahedra. is represented by the CIF card [CIF]
data_OsAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.901
_cell_length_b   4.901
_cell_length_c   4.901
_cell_angle_alpha   129.355
_cell_angle_beta   129.355
_cell_angle_gamma   74.440
_symmetry_Int_Tables_number   1
_cell_volume   68.609
_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
  Os  Os0  1  0.000  0.000  0.000  1.0
  Au  Au1  1  0.750  0.250  0.500  1.0
  Au  Au2  1  0.250  0.750  0.500  1.0
  Au  Au3  1  0.500  0.500  0.000  1.0
[/CIF]
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