The structure described by Hf2AgAl3 crystallizes in the trigonal R-3m space group. Hf(1) is bonded in a 16-coordinate geometry to four equivalent Hf(1), three equivalent Ag(1), and nine equivalent Al(1) atoms. Ag(1) is bonded to six equivalent Hf(1) and six equivalent Al(1) atoms to form AgHf6Al6 cuboctahedra that share corners with six equivalent Ag(1)Hf6Al6 cuboctahedra, corners with twelve equivalent Al(1)Hf6Al4Ag2 cuboctahedra, edges with six equivalent Ag(1)Hf6Al6 cuboctahedra, and faces with eighteen equivalent Al(1)Hf6Al4Ag2 cuboctahedra. Al(1) is bonded to six equivalent Hf(1), two equivalent Ag(1), and four equivalent Al(1) atoms to form distorted AlHf6Al4Ag2 cuboctahedra that share corners with four equivalent Ag(1)Hf6Al6 cuboctahedra, corners with fourteen equivalent Al(1)Hf6Al4Ag2 cuboctahedra, edges with six equivalent Al(1)Hf6Al4Ag2 cuboctahedra, faces with six equivalent Ag(1)Hf6Al6 cuboctahedra, and faces with twelve equivalent Al(1)Hf6Al4Ag2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf2Al3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.239
_cell_length_b   5.239
_cell_length_c   5.239
_cell_angle_alpha   60.984
_cell_angle_beta   60.984
_cell_angle_gamma   60.984
_symmetry_Int_Tables_number   1
_cell_volume   103.946
_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
  Hf  Hf0  1  0.623  0.623  0.623  1.0
  Hf  Hf1  1  0.377  0.377  0.377  1.0
  Al  Al2  1  0.000  0.500  0.000  1.0
  Al  Al3  1  0.500  0.000  0.000  1.0
  Al  Al4  1  0.000  0.000  0.500  1.0
  Ag  Ag5  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Hf2AgAl3 crystallizes in the trigonal R-3m space group. Hf(1) is bonded in a 16-coordinate geometry to four equivalent Hf(1), three equivalent Ag(1), and nine equivalent Al(1) atoms. Ag(1) is bonded to six equivalent Hf(1) and six equivalent Al(1) atoms to form AgHf6Al6 cuboctahedra that share corners with six equivalent Ag(1)Hf6Al6 cuboctahedra, corners with twelve equivalent Al(1)Hf6Al4Ag2 cuboctahedra, edges with six equivalent Ag(1)Hf6Al6 cuboctahedra, and faces with eighteen equivalent Al(1)Hf6Al4Ag2 cuboctahedra. Al(1) is bonded to six equivalent Hf(1), two equivalent Ag(1), and four equivalent Al(1) atoms to form distorted AlHf6Al4Ag2 cuboctahedra that share corners with four equivalent Ag(1)Hf6Al6 cuboctahedra, corners with fourteen equivalent Al(1)Hf6Al4Ag2 cuboctahedra, edges with six equivalent Al(1)Hf6Al4Ag2 cuboctahedra, faces with six equivalent Ag(1)Hf6Al6 cuboctahedra, and faces with twelve equivalent Al(1)Hf6Al4Ag2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf2Al3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.239
_cell_length_b   5.239
_cell_length_c   5.239
_cell_angle_alpha   60.984
_cell_angle_beta   60.984
_cell_angle_gamma   60.984
_symmetry_Int_Tables_number   1
_cell_volume   103.946
_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
  Hf  Hf0  1  0.623  0.623  0.623  1.0
  Hf  Hf1  1  0.377  0.377  0.377  1.0
  Al  Al2  1  0.000  0.500  0.000  1.0
  Al  Al3  1  0.500  0.000  0.000  1.0
  Al  Al4  1  0.000  0.000  0.500  1.0
  Ag  Ag5  1  0.000  0.000  0.000  1.0
[/CIF]
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