The structure described by KAuSe5 crystallizes in the orthorhombic Ibam space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to four equivalent Se(1) and four equivalent Se(2) atoms to form distorted KSe8 hexagonal bipyramids that share corners with four equivalent Se(1)K2AuSe tetrahedra and corners with four equivalent Se(2)K2Se2 trigonal pyramids. In the second K site, K(2) is bonded in a 8-coordinate geometry to four equivalent Se(1) and four equivalent Se(2) atoms. Au(1) is bonded in a distorted T-shaped geometry to one Au(1) and two equivalent Se(1) atoms. There are three inequivalent Se sites. In the first Se site, Se(3) is bonded in a water-like geometry to two equivalent Se(2) atoms. In the second Se site, Se(1) is bonded to one K(1), one K(2), one Au(1), and one Se(2) atom to form SeK2AuSe tetrahedra that share  a cornercorner with one K(1)Se8 hexagonal bipyramid, corners with seven equivalent Se(1)K2AuSe tetrahedra, corners with six equivalent Se(2)K2Se2 trigonal pyramids, and  an edgeedge with one Se(2)K2Se2 trigonal pyramid. In the third Se site, Se(2) is bonded to one K(1), one K(2), one Se(1), and one Se(3) atom to form distorted SeK2Se2 trigonal pyramids that share  a cornercorner with one K(1)Se8 hexagonal bipyramid, corners with six equivalent Se(1)K2AuSe tetrahedra, corners with five equivalent Se(2)K2Se2 trigonal pyramids,  an edgeedge with one Se(1)K2AuSe tetrahedra, and  an edgeedge with one Se(2)K2Se2 trigonal pyramid. is represented by the CIF card [CIF]
data_KAuSe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.151
_cell_length_b   11.151
_cell_length_c   11.151
_cell_angle_alpha   130.488
_cell_angle_beta   118.405
_cell_angle_gamma   82.820
_symmetry_Int_Tables_number   1
_cell_volume   891.964
_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  0.500  0.500  0.000  1.0
  K  K1  1  0.000  0.000  0.000  1.0
  K  K2  1  0.750  0.250  0.500  1.0
  K  K3  1  0.250  0.750  0.500  1.0
  Au  Au4  1  0.619  0.750  0.869  1.0
  Au  Au5  1  0.881  0.750  0.131  1.0
  Au  Au6  1  0.381  0.250  0.131  1.0
  Au  Au7  1  0.119  0.250  0.869  1.0
  Se  Se8  1  0.219  0.145  0.674  1.0
  Se  Se9  1  0.281  0.955  0.925  1.0
  Se  Se10  1  0.029  0.355  0.075  1.0
  Se  Se11  1  0.471  0.545  0.326  1.0
  Se  Se12  1  0.781  0.855  0.326  1.0
  Se  Se13  1  0.719  0.045  0.075  1.0
  Se  Se14  1  0.971  0.645  0.925  1.0
  Se  Se15  1  0.529  0.455  0.674  1.0
  Se  Se16  1  0.941  0.843  0.554  1.0
  Se  Se17  1  0.559  0.113  0.902  1.0
  Se  Se18  1  0.211  0.657  0.098  1.0
  Se  Se19  1  0.289  0.387  0.446  1.0
  Se  Se20  1  0.059  0.157  0.446  1.0
  Se  Se21  1  0.441  0.887  0.098  1.0
  Se  Se22  1  0.789  0.343  0.902  1.0
  Se  Se23  1  0.711  0.613  0.554  1.0
  Se  Se24  1  0.645  0.082  0.727  1.0
  Se  Se25  1  0.855  0.582  0.437  1.0
  Se  Se26  1  0.145  0.418  0.563  1.0
  Se  Se27  1  0.355  0.918  0.273  1.0
[/CIF]
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The structure described by KAuSe5 crystallizes in the orthorhombic Ibam space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to four equivalent Se(1) and four equivalent Se(2) atoms to form distorted KSe8 hexagonal bipyramids that share corners with four equivalent Se(1)K2AuSe tetrahedra and corners with four equivalent Se(2)K2Se2 trigonal pyramids. In the second K site, K(2) is bonded in a 8-coordinate geometry to four equivalent Se(1) and four equivalent Se(2) atoms. Au(1) is bonded in a distorted T-shaped geometry to one Au(1) and two equivalent Se(1) atoms. There are three inequivalent Se sites. In the first Se site, Se(3) is bonded in a water-like geometry to two equivalent Se(2) atoms. In the second Se site, Se(1) is bonded to one K(1), one K(2), one Au(1), and one Se(2) atom to form SeK2AuSe tetrahedra that share  a cornercorner with one K(1)Se8 hexagonal bipyramid, corners with seven equivalent Se(1)K2AuSe tetrahedra, corners with six equivalent Se(2)K2Se2 trigonal pyramids, and  an edgeedge with one Se(2)K2Se2 trigonal pyramid. In the third Se site, Se(2) is bonded to one K(1), one K(2), one Se(1), and one Se(3) atom to form distorted SeK2Se2 trigonal pyramids that share  a cornercorner with one K(1)Se8 hexagonal bipyramid, corners with six equivalent Se(1)K2AuSe tetrahedra, corners with five equivalent Se(2)K2Se2 trigonal pyramids,  an edgeedge with one Se(1)K2AuSe tetrahedra, and  an edgeedge with one Se(2)K2Se2 trigonal pyramid. is represented by the CIF card [CIF]
data_KAuSe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.151
_cell_length_b   11.151
_cell_length_c   11.151
_cell_angle_alpha   130.488
_cell_angle_beta   118.405
_cell_angle_gamma   82.820
_symmetry_Int_Tables_number   1
_cell_volume   891.964
_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  0.500  0.500  0.000  1.0
  K  K1  1  0.000  0.000  0.000  1.0
  K  K2  1  0.750  0.250  0.500  1.0
  K  K3  1  0.250  0.750  0.500  1.0
  Au  Au4  1  0.619  0.750  0.869  1.0
  Au  Au5  1  0.881  0.750  0.131  1.0
  Au  Au6  1  0.381  0.250  0.131  1.0
  Au  Au7  1  0.119  0.250  0.869  1.0
  Se  Se8  1  0.219  0.145  0.674  1.0
  Se  Se9  1  0.281  0.955  0.925  1.0
  Se  Se10  1  0.029  0.355  0.075  1.0
  Se  Se11  1  0.471  0.545  0.326  1.0
  Se  Se12  1  0.781  0.855  0.326  1.0
  Se  Se13  1  0.719  0.045  0.075  1.0
  Se  Se14  1  0.971  0.645  0.925  1.0
  Se  Se15  1  0.529  0.455  0.674  1.0
  Se  Se16  1  0.941  0.843  0.554  1.0
  Se  Se17  1  0.559  0.113  0.902  1.0
  Se  Se18  1  0.211  0.657  0.098  1.0
  Se  Se19  1  0.289  0.387  0.446  1.0
  Se  Se20  1  0.059  0.157  0.446  1.0
  Se  Se21  1  0.441  0.887  0.098  1.0
  Se  Se22  1  0.789  0.343  0.902  1.0
  Se  Se23  1  0.711  0.613  0.554  1.0
  Se  Se24  1  0.645  0.082  0.727  1.0
  Se  Se25  1  0.855  0.582  0.437  1.0
  Se  Se26  1  0.145  0.418  0.563  1.0
  Se  Se27  1  0.355  0.918  0.273  1.0
[/CIF]
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