The material structure described by PdAg3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Pd(1) is bonded to four equivalent Ag(2) and eight equivalent Ag(1) atoms to form PdAg12 cuboctahedra that share corners with four equivalent Pd(1)Ag12 cuboctahedra, corners with eight equivalent Ag(2)Ag8Pd4 cuboctahedra, edges with eight equivalent Pd(1)Ag12 cuboctahedra, edges with sixteen equivalent Ag(1)Ag8Pd4 cuboctahedra, faces with four equivalent Pd(1)Ag12 cuboctahedra, faces with six equivalent Ag(2)Ag8Pd4 cuboctahedra, and faces with eight equivalent Ag(1)Ag8Pd4 cuboctahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to four equivalent Pd(1), four equivalent Ag(1), and four equivalent Ag(2) atoms to form AgAg8Pd4 cuboctahedra that share corners with twelve equivalent Ag(1)Ag8Pd4 cuboctahedra, edges with eight equivalent Pd(1)Ag12 cuboctahedra, edges with eight equivalent Ag(1)Ag8Pd4 cuboctahedra, edges with eight equivalent Ag(2)Ag8Pd4 cuboctahedra, faces with four equivalent Pd(1)Ag12 cuboctahedra, faces with four equivalent Ag(2)Ag8Pd4 cuboctahedra, and faces with ten equivalent Ag(1)Ag8Pd4 cuboctahedra. In the second Ag site, Ag(2) is bonded to four equivalent Pd(1) and eight equivalent Ag(1) atoms to form AgAg8Pd4 cuboctahedra that share corners with four equivalent Ag(2)Ag8Pd4 cuboctahedra, corners with eight equivalent Pd(1)Ag12 cuboctahedra, edges with eight equivalent Ag(2)Ag8Pd4 cuboctahedra, edges with sixteen equivalent Ag(1)Ag8Pd4 cuboctahedra, faces with four equivalent Ag(2)Ag8Pd4 cuboctahedra, faces with six equivalent Pd(1)Ag12 cuboctahedra, and faces with eight equivalent Ag(1)Ag8Pd4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ag3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.944
_cell_length_b   4.944
_cell_length_c   4.944
_cell_angle_alpha   131.401
_cell_angle_beta   131.401
_cell_angle_gamma   71.176
_symmetry_Int_Tables_number   1
_cell_volume   66.561
_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
  Ag  Ag0  1  0.750  0.250  0.500  1.0
  Ag  Ag1  1  0.250  0.750  0.500  1.0
  Ag  Ag2  1  0.500  0.500  0.000  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by PdAg3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Pd(1) is bonded to four equivalent Ag(2) and eight equivalent Ag(1) atoms to form PdAg12 cuboctahedra that share corners with four equivalent Pd(1)Ag12 cuboctahedra, corners with eight equivalent Ag(2)Ag8Pd4 cuboctahedra, edges with eight equivalent Pd(1)Ag12 cuboctahedra, edges with sixteen equivalent Ag(1)Ag8Pd4 cuboctahedra, faces with four equivalent Pd(1)Ag12 cuboctahedra, faces with six equivalent Ag(2)Ag8Pd4 cuboctahedra, and faces with eight equivalent Ag(1)Ag8Pd4 cuboctahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to four equivalent Pd(1), four equivalent Ag(1), and four equivalent Ag(2) atoms to form AgAg8Pd4 cuboctahedra that share corners with twelve equivalent Ag(1)Ag8Pd4 cuboctahedra, edges with eight equivalent Pd(1)Ag12 cuboctahedra, edges with eight equivalent Ag(1)Ag8Pd4 cuboctahedra, edges with eight equivalent Ag(2)Ag8Pd4 cuboctahedra, faces with four equivalent Pd(1)Ag12 cuboctahedra, faces with four equivalent Ag(2)Ag8Pd4 cuboctahedra, and faces with ten equivalent Ag(1)Ag8Pd4 cuboctahedra. In the second Ag site, Ag(2) is bonded to four equivalent Pd(1) and eight equivalent Ag(1) atoms to form AgAg8Pd4 cuboctahedra that share corners with four equivalent Ag(2)Ag8Pd4 cuboctahedra, corners with eight equivalent Pd(1)Ag12 cuboctahedra, edges with eight equivalent Ag(2)Ag8Pd4 cuboctahedra, edges with sixteen equivalent Ag(1)Ag8Pd4 cuboctahedra, faces with four equivalent Ag(2)Ag8Pd4 cuboctahedra, faces with six equivalent Pd(1)Ag12 cuboctahedra, and faces with eight equivalent Ag(1)Ag8Pd4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ag3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.944
_cell_length_b   4.944
_cell_length_c   4.944
_cell_angle_alpha   131.401
_cell_angle_beta   131.401
_cell_angle_gamma   71.176
_symmetry_Int_Tables_number   1
_cell_volume   66.561
_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
  Ag  Ag0  1  0.750  0.250  0.500  1.0
  Ag  Ag1  1  0.250  0.750  0.500  1.0
  Ag  Ag2  1  0.500  0.500  0.000  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
[/CIF]
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