The compound described by Pt3Al crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to eight equivalent Pt(2) and four equivalent Al(1) atoms to form distorted PtAl4Pt8 cuboctahedra that share corners with twelve equivalent Pt(1)Al4Pt8 cuboctahedra, edges with eight equivalent Al(1)Pt12 cuboctahedra, faces with four equivalent Al(1)Pt12 cuboctahedra, and faces with six equivalent Pt(1)Al4Pt8 cuboctahedra. In the second Pt site, Pt(2) is bonded in a 12-coordinate geometry to four equivalent Pt(1), four equivalent Pt(2), and four equivalent Al(1) atoms. Al(1) is bonded to four equivalent Pt(1) and eight equivalent Pt(2) atoms to form AlPt12 cuboctahedra that share corners with twelve equivalent Al(1)Pt12 cuboctahedra, edges with eight equivalent Pt(1)Al4Pt8 cuboctahedra, faces with four equivalent Pt(1)Al4Pt8 cuboctahedra, and faces with six equivalent Al(1)Pt12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.529
_cell_length_b   5.560
_cell_length_c   5.529
_cell_angle_alpha   60.184
_cell_angle_beta   90.000
_cell_angle_gamma   119.816
_symmetry_Int_Tables_number   1
_cell_volume   120.841
_cell_formula_units_Z   2
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  0.750  0.500  0.750  1.0
  Al  Al1  1  0.250  0.500  0.250  1.0
  Pt  Pt2  1  0.250  0.500  0.750  1.0
  Pt  Pt3  1  0.750  0.500  0.250  1.0
  Pt  Pt4  1  0.280  0.000  0.780  1.0
  Pt  Pt5  1  0.720  0.000  0.220  1.0
  Pt  Pt6  1  0.220  0.000  0.280  1.0
  Pt  Pt7  1  0.780  0.000  0.720  1.0
[/CIF]
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The compound described by Pt3Al crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to eight equivalent Pt(2) and four equivalent Al(1) atoms to form distorted PtAl4Pt8 cuboctahedra that share corners with twelve equivalent Pt(1)Al4Pt8 cuboctahedra, edges with eight equivalent Al(1)Pt12 cuboctahedra, faces with four equivalent Al(1)Pt12 cuboctahedra, and faces with six equivalent Pt(1)Al4Pt8 cuboctahedra. In the second Pt site, Pt(2) is bonded in a 12-coordinate geometry to four equivalent Pt(1), four equivalent Pt(2), and four equivalent Al(1) atoms. Al(1) is bonded to four equivalent Pt(1) and eight equivalent Pt(2) atoms to form AlPt12 cuboctahedra that share corners with twelve equivalent Al(1)Pt12 cuboctahedra, edges with eight equivalent Pt(1)Al4Pt8 cuboctahedra, faces with four equivalent Pt(1)Al4Pt8 cuboctahedra, and faces with six equivalent Al(1)Pt12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.529
_cell_length_b   5.560
_cell_length_c   5.529
_cell_angle_alpha   60.184
_cell_angle_beta   90.000
_cell_angle_gamma   119.816
_symmetry_Int_Tables_number   1
_cell_volume   120.841
_cell_formula_units_Z   2
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  0.750  0.500  0.750  1.0
  Al  Al1  1  0.250  0.500  0.250  1.0
  Pt  Pt2  1  0.250  0.500  0.750  1.0
  Pt  Pt3  1  0.750  0.500  0.250  1.0
  Pt  Pt4  1  0.280  0.000  0.780  1.0
  Pt  Pt5  1  0.720  0.000  0.220  1.0
  Pt  Pt6  1  0.220  0.000  0.280  1.0
  Pt  Pt7  1  0.780  0.000  0.720  1.0
[/CIF]
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