The material structure described by KCoAu3(CN)6 crystallizes in the trigonal P312 space group. K(1) is bonded to six equivalent C(1) and six equivalent N(1) atoms to form KC6N6 cuboctahedra that share edges with three equivalent Co(1)N6 octahedra. Co(1) is bonded to six equivalent N(1) atoms to form CoN6 octahedra that share edges with three equivalent K(1)C6N6 cuboctahedra. Au(1) is bonded in a linear geometry to two equivalent C(1) atoms. C(1) is bonded in a distorted single-bond geometry to one K(1), one Au(1), and one N(1) atom. N(1) is bonded in a distorted linear geometry to one K(1), one Co(1), and one C(1) atom. is represented by the CIF file [CIF]
data_KCoAu3(CN)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.053
_cell_length_b   7.053
_cell_length_c   7.371
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   317.577
_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
  K  K0  1  0.333  0.667  0.500  1.0
  Co  Co1  1  0.000  0.000  0.500  1.0
  Au  Au2  1  0.506  0.012  0.000  1.0
  Au  Au3  1  0.988  0.494  0.000  1.0
  Au  Au4  1  0.506  0.494  0.000  1.0
  C  C5  1  0.673  0.008  0.217  1.0
  C  C6  1  0.335  0.008  0.783  1.0
  C  C7  1  0.992  0.665  0.217  1.0
  C  C8  1  0.335  0.327  0.217  1.0
  C  C9  1  0.992  0.327  0.783  1.0
  C  C10  1  0.673  0.665  0.783  1.0
  N  N11  1  0.999  0.775  0.339  1.0
  N  N12  1  0.776  0.001  0.339  1.0
  N  N13  1  0.225  0.224  0.339  1.0
  N  N14  1  0.776  0.775  0.661  1.0
  N  N15  1  0.225  0.001  0.661  1.0
  N  N16  1  0.999  0.224  0.661  1.0
[/CIF]
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The material structure described by KCoAu3(CN)6 crystallizes in the trigonal P312 space group. K(1) is bonded to six equivalent C(1) and six equivalent N(1) atoms to form KC6N6 cuboctahedra that share edges with three equivalent Co(1)N6 octahedra. Co(1) is bonded to six equivalent N(1) atoms to form CoN6 octahedra that share edges with three equivalent K(1)C6N6 cuboctahedra. Au(1) is bonded in a linear geometry to two equivalent C(1) atoms. C(1) is bonded in a distorted single-bond geometry to one K(1), one Au(1), and one N(1) atom. N(1) is bonded in a distorted linear geometry to one K(1), one Co(1), and one C(1) atom. is represented by the CIF file [CIF]
data_KCoAu3(CN)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.053
_cell_length_b   7.053
_cell_length_c   7.371
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   317.577
_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
  K  K0  1  0.333  0.667  0.500  1.0
  Co  Co1  1  0.000  0.000  0.500  1.0
  Au  Au2  1  0.506  0.012  0.000  1.0
  Au  Au3  1  0.988  0.494  0.000  1.0
  Au  Au4  1  0.506  0.494  0.000  1.0
  C  C5  1  0.673  0.008  0.217  1.0
  C  C6  1  0.335  0.008  0.783  1.0
  C  C7  1  0.992  0.665  0.217  1.0
  C  C8  1  0.335  0.327  0.217  1.0
  C  C9  1  0.992  0.327  0.783  1.0
  C  C10  1  0.673  0.665  0.783  1.0
  N  N11  1  0.999  0.775  0.339  1.0
  N  N12  1  0.776  0.001  0.339  1.0
  N  N13  1  0.225  0.224  0.339  1.0
  N  N14  1  0.776  0.775  0.661  1.0
  N  N15  1  0.225  0.001  0.661  1.0
  N  N16  1  0.999  0.224  0.661  1.0
[/CIF]
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