The material structure described by Au5Sn crystallizes in the trigonal R32 space group. There are seven inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted trigonal planar geometry to three equivalent Au(1); six Au(2,2,2); and three equivalent Sn(1) atoms. In the second Au site, Au(2) is bonded to four Au(1,1,1); six Au(2,2); and two equivalent Sn(1) atoms to form distorted AuSn2Au10 cuboctahedra that share corners with eighteen Au(2,2)Sn2Au10 cuboctahedra; edges with four equivalent Sn(1)Au12 cuboctahedra; edges with six equivalent Au(2)Sn2Au10 cuboctahedra; faces with four equivalent Sn(1)Au12 cuboctahedra; and faces with eight Au(2,2)Sn2Au10 cuboctahedra. In the third Au site, Au(2) is bonded to four Au(1,1,1); six Au(2,2); and two equivalent Sn(1) atoms to form distorted AuSn2Au10 cuboctahedra that share corners with eighteen Au(2,2,2)Sn2Au10 cuboctahedra; edges with four equivalent Sn(1)Au12 cuboctahedra; edges with six equivalent Au(2)Sn2Au10 cuboctahedra; faces with four equivalent Sn(1)Au12 cuboctahedra; and faces with eight Au(2,2,2)Sn2Au10 cuboctahedra. In the fourth Au site, Au(2) is bonded to four Au(1,1,1); six Au(2,2); and two equivalent Sn(1) atoms to form distorted AuSn2Au10 cuboctahedra that share corners with eighteen Au(2,2,2)Sn2Au10 cuboctahedra; edges with four equivalent Sn(1)Au12 cuboctahedra; edges with six equivalent Au(2)Sn2Au10 cuboctahedra; faces with four equivalent Sn(1)Au12 cuboctahedra; and faces with eight Au(2,2)Sn2Au10 cuboctahedra. In the fifth Au site, Au(1) is bonded in a distorted trigonal planar geometry to three equivalent Au(1); six Au(2,2,2); and three equivalent Sn(1) atoms. In the sixth Au site, Au(1) is bonded in a distorted trigonal planar geometry to three equivalent Au(1); six Au(2,2); and three equivalent Sn(1) atoms. In the seventh Au site, Au(1) is bonded in a distorted trigonal planar geometry to three equivalent Au(1); six Au(2,2,2); and three equivalent Sn(1) atoms. Sn(1) is bonded to six Au(1,1) and six Au(2,2,2) atoms to form SnAu12 cuboctahedra that share corners with six equivalent Sn(1)Au12 cuboctahedra; edges with six equivalent Sn(1)Au12 cuboctahedra; edges with twelve Au(2,2,2)Sn2Au10 cuboctahedra; and faces with twelve Au(2,2,2)Sn2Au10 cuboctahedra. is represented by the CIF file [CIF]
data_SnAu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.729
_cell_length_b   5.729
_cell_length_c   5.729
_cell_angle_alpha   52.879
_cell_angle_beta   52.879
_cell_angle_gamma   52.879
_symmetry_Int_Tables_number   1
_cell_volume   110.745
_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
  Sn  Sn0  1  0.000  0.000  0.000  1.0
  Au  Au1  1  0.670  0.670  0.670  1.0
  Au  Au2  1  0.500  0.171  0.829  1.0
  Au  Au3  1  0.829  0.500  0.171  1.0
  Au  Au4  1  0.171  0.829  0.500  1.0
  Au  Au5  1  0.330  0.330  0.330  1.0
[/CIF]
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The material structure described by Au5Sn crystallizes in the trigonal R32 space group. There are seven inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted trigonal planar geometry to three equivalent Au(1); six Au(2,2,2); and three equivalent Sn(1) atoms. In the second Au site, Au(2) is bonded to four Au(1,1,1); six Au(2,2); and two equivalent Sn(1) atoms to form distorted AuSn2Au10 cuboctahedra that share corners with eighteen Au(2,2)Sn2Au10 cuboctahedra; edges with four equivalent Sn(1)Au12 cuboctahedra; edges with six equivalent Au(2)Sn2Au10 cuboctahedra; faces with four equivalent Sn(1)Au12 cuboctahedra; and faces with eight Au(2,2)Sn2Au10 cuboctahedra. In the third Au site, Au(2) is bonded to four Au(1,1,1); six Au(2,2); and two equivalent Sn(1) atoms to form distorted AuSn2Au10 cuboctahedra that share corners with eighteen Au(2,2,2)Sn2Au10 cuboctahedra; edges with four equivalent Sn(1)Au12 cuboctahedra; edges with six equivalent Au(2)Sn2Au10 cuboctahedra; faces with four equivalent Sn(1)Au12 cuboctahedra; and faces with eight Au(2,2,2)Sn2Au10 cuboctahedra. In the fourth Au site, Au(2) is bonded to four Au(1,1,1); six Au(2,2); and two equivalent Sn(1) atoms to form distorted AuSn2Au10 cuboctahedra that share corners with eighteen Au(2,2,2)Sn2Au10 cuboctahedra; edges with four equivalent Sn(1)Au12 cuboctahedra; edges with six equivalent Au(2)Sn2Au10 cuboctahedra; faces with four equivalent Sn(1)Au12 cuboctahedra; and faces with eight Au(2,2)Sn2Au10 cuboctahedra. In the fifth Au site, Au(1) is bonded in a distorted trigonal planar geometry to three equivalent Au(1); six Au(2,2,2); and three equivalent Sn(1) atoms. In the sixth Au site, Au(1) is bonded in a distorted trigonal planar geometry to three equivalent Au(1); six Au(2,2); and three equivalent Sn(1) atoms. In the seventh Au site, Au(1) is bonded in a distorted trigonal planar geometry to three equivalent Au(1); six Au(2,2,2); and three equivalent Sn(1) atoms. Sn(1) is bonded to six Au(1,1) and six Au(2,2,2) atoms to form SnAu12 cuboctahedra that share corners with six equivalent Sn(1)Au12 cuboctahedra; edges with six equivalent Sn(1)Au12 cuboctahedra; edges with twelve Au(2,2,2)Sn2Au10 cuboctahedra; and faces with twelve Au(2,2,2)Sn2Au10 cuboctahedra. is represented by the CIF file [CIF]
data_SnAu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.729
_cell_length_b   5.729
_cell_length_c   5.729
_cell_angle_alpha   52.879
_cell_angle_beta   52.879
_cell_angle_gamma   52.879
_symmetry_Int_Tables_number   1
_cell_volume   110.745
_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
  Sn  Sn0  1  0.000  0.000  0.000  1.0
  Au  Au1  1  0.670  0.670  0.670  1.0
  Au  Au2  1  0.500  0.171  0.829  1.0
  Au  Au3  1  0.829  0.500  0.171  1.0
  Au  Au4  1  0.171  0.829  0.500  1.0
  Au  Au5  1  0.330  0.330  0.330  1.0
[/CIF]
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