The material described by K(AuSn)3 crystallizes in the orthorhombic Pmmn space group. K(1) is bonded in a 10-coordinate geometry to six equivalent Au(1) and four equivalent Sn(1) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 9-coordinate geometry to three equivalent K(1), two equivalent Au(1), one Sn(1), and three equivalent Sn(2) atoms. In the second Au site, Au(2) is bonded in a 7-coordinate geometry to one Sn(2) and six equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 6-coordinate geometry to two equivalent K(1), one Au(1), and three equivalent Au(2) atoms. In the second Sn site, Sn(2) is bonded to one Au(2) and six equivalent Au(1) atoms to form distorted edge-sharing SnAu7 hexagonal pyramids. is represented by the CIF card [CIF]
data_K(SnAu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.657
_cell_length_b   7.807
_cell_length_c   9.413
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   342.261
_cell_formula_units_Z   2
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  0.750  0.265  1.0
  K  K1  1  0.750  0.250  0.735  1.0
  Sn  Sn2  1  0.750  0.453  0.121  1.0
  Sn  Sn3  1  0.750  0.047  0.121  1.0
  Sn  Sn4  1  0.250  0.953  0.879  1.0
  Sn  Sn5  1  0.250  0.547  0.879  1.0
  Sn  Sn6  1  0.250  0.250  0.389  1.0
  Sn  Sn7  1  0.750  0.750  0.611  1.0
  Au  Au8  1  0.750  0.037  0.416  1.0
  Au  Au9  1  0.250  0.250  0.074  1.0
  Au  Au10  1  0.750  0.750  0.926  1.0
  Au  Au11  1  0.250  0.963  0.584  1.0
  Au  Au12  1  0.250  0.537  0.584  1.0
  Au  Au13  1  0.750  0.463  0.416  1.0
[/CIF]
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The material described by K(AuSn)3 crystallizes in the orthorhombic Pmmn space group. K(1) is bonded in a 10-coordinate geometry to six equivalent Au(1) and four equivalent Sn(1) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 9-coordinate geometry to three equivalent K(1), two equivalent Au(1), one Sn(1), and three equivalent Sn(2) atoms. In the second Au site, Au(2) is bonded in a 7-coordinate geometry to one Sn(2) and six equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 6-coordinate geometry to two equivalent K(1), one Au(1), and three equivalent Au(2) atoms. In the second Sn site, Sn(2) is bonded to one Au(2) and six equivalent Au(1) atoms to form distorted edge-sharing SnAu7 hexagonal pyramids. is represented by the CIF card [CIF]
data_K(SnAu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.657
_cell_length_b   7.807
_cell_length_c   9.413
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   342.261
_cell_formula_units_Z   2
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  0.750  0.265  1.0
  K  K1  1  0.750  0.250  0.735  1.0
  Sn  Sn2  1  0.750  0.453  0.121  1.0
  Sn  Sn3  1  0.750  0.047  0.121  1.0
  Sn  Sn4  1  0.250  0.953  0.879  1.0
  Sn  Sn5  1  0.250  0.547  0.879  1.0
  Sn  Sn6  1  0.250  0.250  0.389  1.0
  Sn  Sn7  1  0.750  0.750  0.611  1.0
  Au  Au8  1  0.750  0.037  0.416  1.0
  Au  Au9  1  0.250  0.250  0.074  1.0
  Au  Au10  1  0.750  0.750  0.926  1.0
  Au  Au11  1  0.250  0.963  0.584  1.0
  Au  Au12  1  0.250  0.537  0.584  1.0
  Au  Au13  1  0.750  0.463  0.416  1.0
[/CIF]
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