The material structure described by ZrPtAl crystallizes in the hexagonal P-62m space group. Zr(1) is bonded in a 5-coordinate geometry to one Pt(2) and four equivalent Pt(1) atoms. There are two inequivalent Pt sites. In the first Pt site, Pt(2) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Al(1) atoms. In the second Pt site, Pt(1) is bonded in a 9-coordinate geometry to six equivalent Zr(1) and three equivalent Al(1) atoms. Al(1) is bonded in a 4-coordinate geometry to two equivalent Pt(1) and two equivalent Pt(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrAlPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.954
_cell_length_b   6.824
_cell_length_c   6.824
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   159.452
_cell_formula_units_Z   3
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  0.000  1.000  0.248  1.0
  Al  Al1  1  1.000  0.248  1.000  1.0
  Al  Al2  1  1.000  0.752  0.752  1.0
  Pt  Pt3  1  0.000  0.667  0.333  1.0
  Pt  Pt4  1  1.000  0.333  0.667  1.0
  Pt  Pt5  1  0.500  0.000  0.000  1.0
  Zr  Zr6  1  0.500  1.000  0.586  1.0
  Zr  Zr7  1  0.500  0.414  0.414  1.0
  Zr  Zr8  1  0.500  0.586  1.000  1.0
[/CIF]
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The material structure described by ZrPtAl crystallizes in the hexagonal P-62m space group. Zr(1) is bonded in a 5-coordinate geometry to one Pt(2) and four equivalent Pt(1) atoms. There are two inequivalent Pt sites. In the first Pt site, Pt(2) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Al(1) atoms. In the second Pt site, Pt(1) is bonded in a 9-coordinate geometry to six equivalent Zr(1) and three equivalent Al(1) atoms. Al(1) is bonded in a 4-coordinate geometry to two equivalent Pt(1) and two equivalent Pt(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrAlPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.954
_cell_length_b   6.824
_cell_length_c   6.824
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   159.452
_cell_formula_units_Z   3
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  0.000  1.000  0.248  1.0
  Al  Al1  1  1.000  0.248  1.000  1.0
  Al  Al2  1  1.000  0.752  0.752  1.0
  Pt  Pt3  1  0.000  0.667  0.333  1.0
  Pt  Pt4  1  1.000  0.333  0.667  1.0
  Pt  Pt5  1  0.500  0.000  0.000  1.0
  Zr  Zr6  1  0.500  1.000  0.586  1.0
  Zr  Zr7  1  0.500  0.414  0.414  1.0
  Zr  Zr8  1  0.500  0.586  1.000  1.0
[/CIF]
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