The material described by Ag4Al crystallizes in the trigonal R-3m space group. There are five inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to three equivalent Ag(2), six equivalent Ag(1), and three equivalent Al(1) atoms to form distorted AgAl3Ag9 cuboctahedra that share corners with three equivalent Ag(2)Ag12 cuboctahedra; corners with six equivalent Al(1)Ag6 cuboctahedra; corners with nine equivalent Ag(1)Al3Ag9 cuboctahedra; edges with six equivalent Al(1)Ag6 cuboctahedra; edges with nine Ag(2,2)Ag12 cuboctahedra; edges with nine equivalent Ag(1)Al3Ag9 cuboctahedra; faces with six equivalent Ag(2)Ag12 cuboctahedra; and faces with six equivalent Ag(1)Al3Ag9 cuboctahedra. In the second Ag site, Ag(2) is bonded to three equivalent Ag(1) and nine Ag(2,2) atoms to form AgAg12 cuboctahedra that share corners with three equivalent Ag(1)Al3Ag9 cuboctahedra; corners with three equivalent Al(1)Ag6 cuboctahedra; corners with six equivalent Ag(2)Ag12 cuboctahedra; edges with three equivalent Al(1)Ag6 cuboctahedra; edges with nine equivalent Ag(1)Al3Ag9 cuboctahedra; edges with twelve Ag(2,2)Ag12 cuboctahedra; faces with six equivalent Ag(1)Al3Ag9 cuboctahedra; and faces with twelve Ag(2,2)Ag12 cuboctahedra. In the third Ag site, Ag(2) is bonded to three equivalent Ag(1) and nine Ag(2,2) atoms to form AgAg12 cuboctahedra that share corners with three equivalent Ag(1)Al3Ag9 cuboctahedra; corners with three equivalent Al(1)Ag6 cuboctahedra; corners with six equivalent Ag(2)Ag12 cuboctahedra; edges with three equivalent Al(1)Ag6 cuboctahedra; edges with nine equivalent Ag(1)Al3Ag9 cuboctahedra; edges with twelve Ag(2,2)Ag12 cuboctahedra; faces with six equivalent Ag(1)Al3Ag9 cuboctahedra; and faces with twelve Ag(2,2)Ag12 cuboctahedra. In the fourth Ag site, Ag(2) is bonded to three equivalent Ag(1) and nine Ag(2,2) atoms to form AgAg12 cuboctahedra that share corners with three equivalent Ag(1)Al3Ag9 cuboctahedra; corners with three equivalent Al(1)Ag6 cuboctahedra; corners with six equivalent Ag(2)Ag12 cuboctahedra; edges with three equivalent Al(1)Ag6 cuboctahedra; edges with nine equivalent Ag(1)Al3Ag9 cuboctahedra; edges with twelve Ag(2,2)Ag12 cuboctahedra; faces with six equivalent Ag(1)Al3Ag9 cuboctahedra; and faces with twelve Ag(2,2)Ag12 cuboctahedra. In the fifth Ag site, Ag(2) is bonded to three equivalent Ag(1) and nine Ag(2,2) atoms to form AgAg12 cuboctahedra that share corners with three equivalent Ag(1)Al3Ag9 cuboctahedra; corners with three equivalent Al(1)Ag6 cuboctahedra; corners with six equivalent Ag(2)Ag12 cuboctahedra; edges with three equivalent Al(1)Ag6 cuboctahedra; edges with nine equivalent Ag(1)Al3Ag9 cuboctahedra; edges with twelve Ag(2,2)Ag12 cuboctahedra; faces with six equivalent Ag(1)Al3Ag9 cuboctahedra; and faces with twelve Ag(2,2)Ag12 cuboctahedra. Al(1) is bonded to six equivalent Ag(1) atoms to form distorted AlAg6 cuboctahedra that share corners with six Ag(2,2)Ag12 cuboctahedra; corners with twelve equivalent Ag(1)Al3Ag9 cuboctahedra; edges with six Ag(2,2)Ag12 cuboctahedra; edges with six equivalent Al(1)Ag6 cuboctahedra; and edges with twelve equivalent Ag(1)Al3Ag9 cuboctahedra. is represented by the CIF card [CIF]
data_AlAg4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.805
_cell_length_b   11.805
_cell_length_c   11.805
_cell_angle_alpha   14.335
_cell_angle_beta   14.335
_cell_angle_gamma   14.335
_symmetry_Int_Tables_number   1
_cell_volume   87.794
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Ag  Ag1  1  0.604  0.604  0.604  1.0
  Ag  Ag2  1  0.201  0.201  0.201  1.0
  Ag  Ag3  1  0.799  0.799  0.799  1.0
  Ag  Ag4  1  0.396  0.396  0.396  1.0
[/CIF]
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The material described by Ag4Al crystallizes in the trigonal R-3m space group. There are five inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to three equivalent Ag(2), six equivalent Ag(1), and three equivalent Al(1) atoms to form distorted AgAl3Ag9 cuboctahedra that share corners with three equivalent Ag(2)Ag12 cuboctahedra; corners with six equivalent Al(1)Ag6 cuboctahedra; corners with nine equivalent Ag(1)Al3Ag9 cuboctahedra; edges with six equivalent Al(1)Ag6 cuboctahedra; edges with nine Ag(2,2)Ag12 cuboctahedra; edges with nine equivalent Ag(1)Al3Ag9 cuboctahedra; faces with six equivalent Ag(2)Ag12 cuboctahedra; and faces with six equivalent Ag(1)Al3Ag9 cuboctahedra. In the second Ag site, Ag(2) is bonded to three equivalent Ag(1) and nine Ag(2,2) atoms to form AgAg12 cuboctahedra that share corners with three equivalent Ag(1)Al3Ag9 cuboctahedra; corners with three equivalent Al(1)Ag6 cuboctahedra; corners with six equivalent Ag(2)Ag12 cuboctahedra; edges with three equivalent Al(1)Ag6 cuboctahedra; edges with nine equivalent Ag(1)Al3Ag9 cuboctahedra; edges with twelve Ag(2,2)Ag12 cuboctahedra; faces with six equivalent Ag(1)Al3Ag9 cuboctahedra; and faces with twelve Ag(2,2)Ag12 cuboctahedra. In the third Ag site, Ag(2) is bonded to three equivalent Ag(1) and nine Ag(2,2) atoms to form AgAg12 cuboctahedra that share corners with three equivalent Ag(1)Al3Ag9 cuboctahedra; corners with three equivalent Al(1)Ag6 cuboctahedra; corners with six equivalent Ag(2)Ag12 cuboctahedra; edges with three equivalent Al(1)Ag6 cuboctahedra; edges with nine equivalent Ag(1)Al3Ag9 cuboctahedra; edges with twelve Ag(2,2)Ag12 cuboctahedra; faces with six equivalent Ag(1)Al3Ag9 cuboctahedra; and faces with twelve Ag(2,2)Ag12 cuboctahedra. In the fourth Ag site, Ag(2) is bonded to three equivalent Ag(1) and nine Ag(2,2) atoms to form AgAg12 cuboctahedra that share corners with three equivalent Ag(1)Al3Ag9 cuboctahedra; corners with three equivalent Al(1)Ag6 cuboctahedra; corners with six equivalent Ag(2)Ag12 cuboctahedra; edges with three equivalent Al(1)Ag6 cuboctahedra; edges with nine equivalent Ag(1)Al3Ag9 cuboctahedra; edges with twelve Ag(2,2)Ag12 cuboctahedra; faces with six equivalent Ag(1)Al3Ag9 cuboctahedra; and faces with twelve Ag(2,2)Ag12 cuboctahedra. In the fifth Ag site, Ag(2) is bonded to three equivalent Ag(1) and nine Ag(2,2) atoms to form AgAg12 cuboctahedra that share corners with three equivalent Ag(1)Al3Ag9 cuboctahedra; corners with three equivalent Al(1)Ag6 cuboctahedra; corners with six equivalent Ag(2)Ag12 cuboctahedra; edges with three equivalent Al(1)Ag6 cuboctahedra; edges with nine equivalent Ag(1)Al3Ag9 cuboctahedra; edges with twelve Ag(2,2)Ag12 cuboctahedra; faces with six equivalent Ag(1)Al3Ag9 cuboctahedra; and faces with twelve Ag(2,2)Ag12 cuboctahedra. Al(1) is bonded to six equivalent Ag(1) atoms to form distorted AlAg6 cuboctahedra that share corners with six Ag(2,2)Ag12 cuboctahedra; corners with twelve equivalent Ag(1)Al3Ag9 cuboctahedra; edges with six Ag(2,2)Ag12 cuboctahedra; edges with six equivalent Al(1)Ag6 cuboctahedra; and edges with twelve equivalent Ag(1)Al3Ag9 cuboctahedra. is represented by the CIF card [CIF]
data_AlAg4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.805
_cell_length_b   11.805
_cell_length_c   11.805
_cell_angle_alpha   14.335
_cell_angle_beta   14.335
_cell_angle_gamma   14.335
_symmetry_Int_Tables_number   1
_cell_volume   87.794
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Ag  Ag1  1  0.604  0.604  0.604  1.0
  Ag  Ag2  1  0.201  0.201  0.201  1.0
  Ag  Ag3  1  0.799  0.799  0.799  1.0
  Ag  Ag4  1  0.396  0.396  0.396  1.0
[/CIF]
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