The crystal structure described by CaPtAl crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a 11-coordinate geometry to five equivalent Pt(1) and six equivalent Al(1) atoms. Pt(1) is bonded in a 9-coordinate geometry to five equivalent Ca(1) and four equivalent Al(1) atoms. Al(1) is bonded to six equivalent Ca(1) and four equivalent Pt(1) atoms to form a mixture of distorted edge, face, and corner-sharing AlCa6Pt4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaAlPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.314
_cell_length_b   7.133
_cell_length_c   7.772
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.173
_cell_formula_units_Z   4
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
  Ca  Ca0  1  0.250  0.023  0.676  1.0
  Ca  Ca1  1  0.250  0.523  0.824  1.0
  Ca  Ca2  1  0.750  0.977  0.324  1.0
  Ca  Ca3  1  0.750  0.477  0.176  1.0
  Al  Al4  1  0.250  0.142  0.063  1.0
  Al  Al5  1  0.250  0.642  0.437  1.0
  Al  Al6  1  0.750  0.858  0.937  1.0
  Al  Al7  1  0.750  0.358  0.563  1.0
  Pt  Pt8  1  0.250  0.288  0.381  1.0
  Pt  Pt9  1  0.250  0.788  0.119  1.0
  Pt  Pt10  1  0.750  0.712  0.619  1.0
  Pt  Pt11  1  0.750  0.212  0.881  1.0
[/CIF]
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The crystal structure described by CaPtAl crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a 11-coordinate geometry to five equivalent Pt(1) and six equivalent Al(1) atoms. Pt(1) is bonded in a 9-coordinate geometry to five equivalent Ca(1) and four equivalent Al(1) atoms. Al(1) is bonded to six equivalent Ca(1) and four equivalent Pt(1) atoms to form a mixture of distorted edge, face, and corner-sharing AlCa6Pt4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaAlPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.314
_cell_length_b   7.133
_cell_length_c   7.772
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.173
_cell_formula_units_Z   4
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
  Ca  Ca0  1  0.250  0.023  0.676  1.0
  Ca  Ca1  1  0.250  0.523  0.824  1.0
  Ca  Ca2  1  0.750  0.977  0.324  1.0
  Ca  Ca3  1  0.750  0.477  0.176  1.0
  Al  Al4  1  0.250  0.142  0.063  1.0
  Al  Al5  1  0.250  0.642  0.437  1.0
  Al  Al6  1  0.750  0.858  0.937  1.0
  Al  Al7  1  0.750  0.358  0.563  1.0
  Pt  Pt8  1  0.250  0.288  0.381  1.0
  Pt  Pt9  1  0.250  0.788  0.119  1.0
  Pt  Pt10  1  0.750  0.712  0.619  1.0
  Pt  Pt11  1  0.750  0.212  0.881  1.0
[/CIF]
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