The structure described by CePtAl3 crystallizes in the tetragonal I-4m2 space group. Ce(1) is bonded in a 16-coordinate geometry to four equivalent Pt(1), four equivalent Al(2), and eight equivalent Al(1) atoms. Pt(1) is bonded in a 4-coordinate geometry to four equivalent Ce(1), four equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted water-like geometry to four equivalent Ce(1), two equivalent Pt(1), one Al(1), and two equivalent Al(2) atoms. In the second Al site, Al(2) is bonded to four equivalent Ce(1), four equivalent Pt(1), and four equivalent Al(1) atoms to form a mixture of distorted face and corner-sharing AlCe4Al4Pt4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeAl3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.279
_cell_length_b   6.279
_cell_length_c   6.279
_cell_angle_alpha   141.410
_cell_angle_beta   141.410
_cell_angle_gamma   55.719
_symmetry_Int_Tables_number   1
_cell_volume   95.580
_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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.614  0.614  0.000  1.0
  Al  Al2  1  0.386  0.386  0.000  1.0
  Al  Al3  1  0.750  0.250  0.500  1.0
  Pt  Pt4  1  0.250  0.750  0.500  1.0
[/CIF]
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The structure described by CePtAl3 crystallizes in the tetragonal I-4m2 space group. Ce(1) is bonded in a 16-coordinate geometry to four equivalent Pt(1), four equivalent Al(2), and eight equivalent Al(1) atoms. Pt(1) is bonded in a 4-coordinate geometry to four equivalent Ce(1), four equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted water-like geometry to four equivalent Ce(1), two equivalent Pt(1), one Al(1), and two equivalent Al(2) atoms. In the second Al site, Al(2) is bonded to four equivalent Ce(1), four equivalent Pt(1), and four equivalent Al(1) atoms to form a mixture of distorted face and corner-sharing AlCe4Al4Pt4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeAl3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.279
_cell_length_b   6.279
_cell_length_c   6.279
_cell_angle_alpha   141.410
_cell_angle_beta   141.410
_cell_angle_gamma   55.719
_symmetry_Int_Tables_number   1
_cell_volume   95.580
_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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.614  0.614  0.000  1.0
  Al  Al2  1  0.386  0.386  0.000  1.0
  Al  Al3  1  0.750  0.250  0.500  1.0
  Pt  Pt4  1  0.250  0.750  0.500  1.0
[/CIF]
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