The compound described by KAuS5 crystallizes in the orthorhombic Ibam space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to two equivalent Au(1), four equivalent S(1), and four equivalent S(2) atoms. In the second K site, K(2) is bonded in a 10-coordinate geometry to two equivalent S(3), four equivalent S(1), and four equivalent S(2) atoms. Au(1) is bonded in a distorted linear geometry to one K(1) and two equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(3) is bonded in a distorted water-like geometry to one K(2) and two equivalent S(1) atoms. In the second S site, S(1) is bonded to one K(1), one K(2), one S(2), and one S(3) atom to form distorted SK2S2 tetrahedra that share corners with five equivalent S(1)K2S2 tetrahedra, corners with six equivalent S(2)K2AuS tetrahedra,  an edgeedge with one S(2)K2AuS tetrahedra, and  an edgeedge with one S(1)K2S2 tetrahedra. In the third S site, S(2) is bonded to one K(1), one K(2), one Au(1), and one S(1) atom to form SK2AuS tetrahedra that share corners with six equivalent S(1)K2S2 tetrahedra, corners with seven equivalent S(2)K2AuS tetrahedra, and  an edgeedge with one S(1)K2S2 tetrahedra. is represented by the CIF file [CIF]
data_KAuS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.385
_cell_length_b   10.385
_cell_length_c   10.385
_cell_angle_alpha   131.593
_cell_angle_beta   117.138
_cell_angle_gamma   83.110
_symmetry_Int_Tables_number   1
_cell_volume   716.697
_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  0.250  0.250  0.000  1.0
  K  K1  1  0.750  0.750  0.000  1.0
  K  K2  1  1.000  0.500  0.500  1.0
  K  K3  1  0.500  0.000  0.500  1.0
  Au  Au4  1  0.888  0.250  0.638  1.0
  Au  Au5  1  0.612  0.250  0.362  1.0
  Au  Au6  1  0.112  0.750  0.362  1.0
  Au  Au7  1  0.388  0.750  0.638  1.0
  S  S8  1  0.428  0.396  0.609  1.0
  S  S9  1  0.072  0.681  0.968  1.0
  S  S10  1  0.713  0.104  0.032  1.0
  S  S11  1  0.787  0.819  0.391  1.0
  S  S12  1  0.572  0.604  0.391  1.0
  S  S13  1  0.928  0.319  0.032  1.0
  S  S14  1  0.287  0.896  0.968  1.0
  S  S15  1  0.213  0.181  0.609  1.0
  S  S16  1  0.990  0.150  0.439  1.0
  S  S17  1  0.510  0.949  0.160  1.0
  S  S18  1  0.789  0.350  0.840  1.0
  S  S19  1  0.711  0.551  0.561  1.0
  S  S20  1  0.010  0.850  0.561  1.0
  S  S21  1  0.490  0.051  0.840  1.0
  S  S22  1  0.211  0.650  0.160  1.0
  S  S23  1  0.289  0.449  0.439  1.0
  S  S24  1  0.341  0.429  0.769  1.0
  S  S25  1  0.159  0.929  0.088  1.0
  S  S26  1  0.841  0.071  0.912  1.0
  S  S27  1  0.659  0.571  0.231  1.0
[/CIF]
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The compound described by KAuS5 crystallizes in the orthorhombic Ibam space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to two equivalent Au(1), four equivalent S(1), and four equivalent S(2) atoms. In the second K site, K(2) is bonded in a 10-coordinate geometry to two equivalent S(3), four equivalent S(1), and four equivalent S(2) atoms. Au(1) is bonded in a distorted linear geometry to one K(1) and two equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(3) is bonded in a distorted water-like geometry to one K(2) and two equivalent S(1) atoms. In the second S site, S(1) is bonded to one K(1), one K(2), one S(2), and one S(3) atom to form distorted SK2S2 tetrahedra that share corners with five equivalent S(1)K2S2 tetrahedra, corners with six equivalent S(2)K2AuS tetrahedra,  an edgeedge with one S(2)K2AuS tetrahedra, and  an edgeedge with one S(1)K2S2 tetrahedra. In the third S site, S(2) is bonded to one K(1), one K(2), one Au(1), and one S(1) atom to form SK2AuS tetrahedra that share corners with six equivalent S(1)K2S2 tetrahedra, corners with seven equivalent S(2)K2AuS tetrahedra, and  an edgeedge with one S(1)K2S2 tetrahedra. is represented by the CIF file [CIF]
data_KAuS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.385
_cell_length_b   10.385
_cell_length_c   10.385
_cell_angle_alpha   131.593
_cell_angle_beta   117.138
_cell_angle_gamma   83.110
_symmetry_Int_Tables_number   1
_cell_volume   716.697
_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  0.250  0.250  0.000  1.0
  K  K1  1  0.750  0.750  0.000  1.0
  K  K2  1  1.000  0.500  0.500  1.0
  K  K3  1  0.500  0.000  0.500  1.0
  Au  Au4  1  0.888  0.250  0.638  1.0
  Au  Au5  1  0.612  0.250  0.362  1.0
  Au  Au6  1  0.112  0.750  0.362  1.0
  Au  Au7  1  0.388  0.750  0.638  1.0
  S  S8  1  0.428  0.396  0.609  1.0
  S  S9  1  0.072  0.681  0.968  1.0
  S  S10  1  0.713  0.104  0.032  1.0
  S  S11  1  0.787  0.819  0.391  1.0
  S  S12  1  0.572  0.604  0.391  1.0
  S  S13  1  0.928  0.319  0.032  1.0
  S  S14  1  0.287  0.896  0.968  1.0
  S  S15  1  0.213  0.181  0.609  1.0
  S  S16  1  0.990  0.150  0.439  1.0
  S  S17  1  0.510  0.949  0.160  1.0
  S  S18  1  0.789  0.350  0.840  1.0
  S  S19  1  0.711  0.551  0.561  1.0
  S  S20  1  0.010  0.850  0.561  1.0
  S  S21  1  0.490  0.051  0.840  1.0
  S  S22  1  0.211  0.650  0.160  1.0
  S  S23  1  0.289  0.449  0.439  1.0
  S  S24  1  0.341  0.429  0.769  1.0
  S  S25  1  0.159  0.929  0.088  1.0
  S  S26  1  0.841  0.071  0.912  1.0
  S  S27  1  0.659  0.571  0.231  1.0
[/CIF]
.