The material described by KAu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. K(1) is bonded in a 12-coordinate geometry to three equivalent Au(2) and nine equivalent Au(1) atoms. There are two inequivalent Au sites. In the first Au site, Au(2) is bonded to six equivalent K(1) and six equivalent Au(1) atoms to form a mixture of corner, face, and edge-sharing AuK6Au6 cuboctahedra. In the second Au site, Au(1) is bonded to six equivalent K(1), two equivalent Au(2), and four equivalent Au(1) atoms to form a mixture of corner, face, and edge-sharing AuK6Au6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.692
_cell_length_b   5.692
_cell_length_c   9.743
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   273.367
_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
  K  K0  1  0.333  0.667  0.561  1.0
  K  K1  1  0.667  0.333  0.061  1.0
  K  K2  1  0.667  0.333  0.439  1.0
  K  K3  1  0.333  0.667  0.939  1.0
  Au  Au4  1  0.335  0.168  0.750  1.0
  Au  Au5  1  0.665  0.832  0.250  1.0
  Au  Au6  1  0.168  0.832  0.250  1.0
  Au  Au7  1  0.832  0.665  0.750  1.0
  Au  Au8  1  0.832  0.168  0.750  1.0
  Au  Au9  1  0.168  0.335  0.250  1.0
  Au  Au10  1  0.000  0.000  0.500  1.0
  Au  Au11  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by KAu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. K(1) is bonded in a 12-coordinate geometry to three equivalent Au(2) and nine equivalent Au(1) atoms. There are two inequivalent Au sites. In the first Au site, Au(2) is bonded to six equivalent K(1) and six equivalent Au(1) atoms to form a mixture of corner, face, and edge-sharing AuK6Au6 cuboctahedra. In the second Au site, Au(1) is bonded to six equivalent K(1), two equivalent Au(2), and four equivalent Au(1) atoms to form a mixture of corner, face, and edge-sharing AuK6Au6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.692
_cell_length_b   5.692
_cell_length_c   9.743
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   273.367
_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
  K  K0  1  0.333  0.667  0.561  1.0
  K  K1  1  0.667  0.333  0.061  1.0
  K  K2  1  0.667  0.333  0.439  1.0
  K  K3  1  0.333  0.667  0.939  1.0
  Au  Au4  1  0.335  0.168  0.750  1.0
  Au  Au5  1  0.665  0.832  0.250  1.0
  Au  Au6  1  0.168  0.832  0.250  1.0
  Au  Au7  1  0.832  0.665  0.750  1.0
  Au  Au8  1  0.832  0.168  0.750  1.0
  Au  Au9  1  0.168  0.335  0.250  1.0
  Au  Au10  1  0.000  0.000  0.500  1.0
  Au  Au11  1  0.000  0.000  0.000  1.0
[/CIF]
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