The material described by Pt3Al crystallizes in the tetragonal P4/mbm space group. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 4-coordinate geometry to four equivalent Pt(2) and four equivalent Al(1) atoms. In the second Pt site, Pt(2) is bonded in a 14-coordinate geometry to two equivalent Pt(2), four equivalent Pt(1), four equivalent Pt(3), and four equivalent Al(1) atoms. In the third Pt site, Pt(3) is bonded in a 2-coordinate geometry to four equivalent Pt(2) and four equivalent Al(1) atoms. Al(1) is bonded in a 8-coordinate geometry to four equivalent Pt(1), four equivalent Pt(2), and four equivalent Pt(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.471
_cell_length_b   5.471
_cell_length_c   5.471
_cell_angle_alpha   106.092
_cell_angle_beta   106.092
_cell_angle_gamma   116.465
_symmetry_Int_Tables_number   1
_cell_volume   124.655
_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  0.250  0.750  0.500  1.0
  Al  Al1  1  0.750  0.250  0.500  1.0
  Pt  Pt2  1  0.730  0.770  0.500  1.0
  Pt  Pt3  1  0.250  0.250  0.000  1.0
  Pt  Pt4  1  0.770  0.270  0.041  1.0
  Pt  Pt5  1  0.270  0.230  0.500  1.0
  Pt  Pt6  1  0.230  0.730  0.959  1.0
  Pt  Pt7  1  0.750  0.750  0.000  1.0
[/CIF]
.
The material described by Pt3Al crystallizes in the tetragonal P4/mbm space group. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 4-coordinate geometry to four equivalent Pt(2) and four equivalent Al(1) atoms. In the second Pt site, Pt(2) is bonded in a 14-coordinate geometry to two equivalent Pt(2), four equivalent Pt(1), four equivalent Pt(3), and four equivalent Al(1) atoms. In the third Pt site, Pt(3) is bonded in a 2-coordinate geometry to four equivalent Pt(2) and four equivalent Al(1) atoms. Al(1) is bonded in a 8-coordinate geometry to four equivalent Pt(1), four equivalent Pt(2), and four equivalent Pt(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.471
_cell_length_b   5.471
_cell_length_c   5.471
_cell_angle_alpha   106.092
_cell_angle_beta   106.092
_cell_angle_gamma   116.465
_symmetry_Int_Tables_number   1
_cell_volume   124.655
_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  0.250  0.750  0.500  1.0
  Al  Al1  1  0.750  0.250  0.500  1.0
  Pt  Pt2  1  0.730  0.770  0.500  1.0
  Pt  Pt3  1  0.250  0.250  0.000  1.0
  Pt  Pt4  1  0.770  0.270  0.041  1.0
  Pt  Pt5  1  0.270  0.230  0.500  1.0
  Pt  Pt6  1  0.230  0.730  0.959  1.0
  Pt  Pt7  1  0.750  0.750  0.000  1.0
[/CIF]
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