The material described by AgGa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Ag(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(1) atoms to form AgGa12 cuboctahedra that share corners with four equivalent Ag(1)Ga12 cuboctahedra, corners with eight equivalent Ga(2)Ga8Ag4 cuboctahedra, edges with eight equivalent Ag(1)Ga12 cuboctahedra, edges with sixteen equivalent Ga(1)Ga8Ag4 cuboctahedra, faces with four equivalent Ag(1)Ga12 cuboctahedra, faces with six equivalent Ga(2)Ga8Ag4 cuboctahedra, and faces with eight equivalent Ga(1)Ga8Ag4 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Ag(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form GaGa8Ag4 cuboctahedra that share corners with twelve equivalent Ga(1)Ga8Ag4 cuboctahedra, edges with eight equivalent Ag(1)Ga12 cuboctahedra, edges with eight equivalent Ga(1)Ga8Ag4 cuboctahedra, edges with eight equivalent Ga(2)Ga8Ag4 cuboctahedra, faces with four equivalent Ag(1)Ga12 cuboctahedra, faces with four equivalent Ga(2)Ga8Ag4 cuboctahedra, and faces with ten equivalent Ga(1)Ga8Ag4 cuboctahedra. In the second Ga site, Ga(2) is bonded to four equivalent Ag(1) and eight equivalent Ga(1) atoms to form GaGa8Ag4 cuboctahedra that share corners with four equivalent Ga(2)Ga8Ag4 cuboctahedra, corners with eight equivalent Ag(1)Ga12 cuboctahedra, edges with eight equivalent Ga(2)Ga8Ag4 cuboctahedra, edges with sixteen equivalent Ga(1)Ga8Ag4 cuboctahedra, faces with four equivalent Ga(2)Ga8Ag4 cuboctahedra, faces with six equivalent Ag(1)Ga12 cuboctahedra, and faces with eight equivalent Ga(1)Ga8Ag4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ga3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.028
_cell_length_b   5.028
_cell_length_c   5.028
_cell_angle_alpha   131.401
_cell_angle_beta   131.401
_cell_angle_gamma   71.176
_symmetry_Int_Tables_number   1
_cell_volume   70.012
_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
  Ga  Ga0  1  0.750  0.250  0.500  1.0
  Ga  Ga1  1  0.250  0.750  0.500  1.0
  Ga  Ga2  1  0.500  0.500  0.000  1.0
  Ag  Ag3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by AgGa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Ag(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(1) atoms to form AgGa12 cuboctahedra that share corners with four equivalent Ag(1)Ga12 cuboctahedra, corners with eight equivalent Ga(2)Ga8Ag4 cuboctahedra, edges with eight equivalent Ag(1)Ga12 cuboctahedra, edges with sixteen equivalent Ga(1)Ga8Ag4 cuboctahedra, faces with four equivalent Ag(1)Ga12 cuboctahedra, faces with six equivalent Ga(2)Ga8Ag4 cuboctahedra, and faces with eight equivalent Ga(1)Ga8Ag4 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Ag(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form GaGa8Ag4 cuboctahedra that share corners with twelve equivalent Ga(1)Ga8Ag4 cuboctahedra, edges with eight equivalent Ag(1)Ga12 cuboctahedra, edges with eight equivalent Ga(1)Ga8Ag4 cuboctahedra, edges with eight equivalent Ga(2)Ga8Ag4 cuboctahedra, faces with four equivalent Ag(1)Ga12 cuboctahedra, faces with four equivalent Ga(2)Ga8Ag4 cuboctahedra, and faces with ten equivalent Ga(1)Ga8Ag4 cuboctahedra. In the second Ga site, Ga(2) is bonded to four equivalent Ag(1) and eight equivalent Ga(1) atoms to form GaGa8Ag4 cuboctahedra that share corners with four equivalent Ga(2)Ga8Ag4 cuboctahedra, corners with eight equivalent Ag(1)Ga12 cuboctahedra, edges with eight equivalent Ga(2)Ga8Ag4 cuboctahedra, edges with sixteen equivalent Ga(1)Ga8Ag4 cuboctahedra, faces with four equivalent Ga(2)Ga8Ag4 cuboctahedra, faces with six equivalent Ag(1)Ga12 cuboctahedra, and faces with eight equivalent Ga(1)Ga8Ag4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ga3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.028
_cell_length_b   5.028
_cell_length_c   5.028
_cell_angle_alpha   131.401
_cell_angle_beta   131.401
_cell_angle_gamma   71.176
_symmetry_Int_Tables_number   1
_cell_volume   70.012
_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
  Ga  Ga0  1  0.750  0.250  0.500  1.0
  Ga  Ga1  1  0.250  0.750  0.500  1.0
  Ga  Ga2  1  0.500  0.500  0.000  1.0
  Ag  Ag3  1  0.000  0.000  0.000  1.0
[/CIF]
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