The compound described by AuBe5 crystallizes in the cubic F-43m space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to three equivalent Be(2), six equivalent Be(1), and three equivalent Au(1) atoms to form distorted BeBe9Au3 cuboctahedra that share corners with eighteen equivalent Be(1)Be9Au3 cuboctahedra, corners with three equivalent Be(2)Be12Au4 tetrahedra, edges with six equivalent Be(1)Be9Au3 cuboctahedra, faces with eighteen equivalent Be(1)Be9Au3 cuboctahedra, and faces with seven equivalent Be(2)Be12Au4 tetrahedra. In the second Be site, Be(2) is bonded to twelve equivalent Be(1) and four equivalent Au(1) atoms to form distorted BeBe12Au4 tetrahedra that share corners with twelve equivalent Be(1)Be9Au3 cuboctahedra, faces with twenty-eight equivalent Be(1)Be9Au3 cuboctahedra, and faces with twelve equivalent Be(2)Be12Au4 tetrahedra. Au(1) is bonded in a 16-coordinate geometry to four equivalent Be(2) and twelve equivalent Be(1) atoms. is represented by the CIF card [CIF]
data_Be5Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.312
_cell_length_b   4.312
_cell_length_c   4.312
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   56.683
_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
  Be  Be0  1  0.625  0.126  0.625  1.0
  Be  Be1  1  0.250  0.250  0.250  1.0
  Be  Be2  1  0.625  0.625  0.625  1.0
  Be  Be3  1  0.625  0.625  0.126  1.0
  Be  Be4  1  0.126  0.625  0.625  1.0
  Au  Au5  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by AuBe5 crystallizes in the cubic F-43m space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to three equivalent Be(2), six equivalent Be(1), and three equivalent Au(1) atoms to form distorted BeBe9Au3 cuboctahedra that share corners with eighteen equivalent Be(1)Be9Au3 cuboctahedra, corners with three equivalent Be(2)Be12Au4 tetrahedra, edges with six equivalent Be(1)Be9Au3 cuboctahedra, faces with eighteen equivalent Be(1)Be9Au3 cuboctahedra, and faces with seven equivalent Be(2)Be12Au4 tetrahedra. In the second Be site, Be(2) is bonded to twelve equivalent Be(1) and four equivalent Au(1) atoms to form distorted BeBe12Au4 tetrahedra that share corners with twelve equivalent Be(1)Be9Au3 cuboctahedra, faces with twenty-eight equivalent Be(1)Be9Au3 cuboctahedra, and faces with twelve equivalent Be(2)Be12Au4 tetrahedra. Au(1) is bonded in a 16-coordinate geometry to four equivalent Be(2) and twelve equivalent Be(1) atoms. is represented by the CIF card [CIF]
data_Be5Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.312
_cell_length_b   4.312
_cell_length_c   4.312
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   56.683
_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
  Be  Be0  1  0.625  0.126  0.625  1.0
  Be  Be1  1  0.250  0.250  0.250  1.0
  Be  Be2  1  0.625  0.625  0.625  1.0
  Be  Be3  1  0.625  0.625  0.126  1.0
  Be  Be4  1  0.126  0.625  0.625  1.0
  Au  Au5  1  0.000  0.000  0.000  1.0
[/CIF]
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