The compound described by FePtSb crystallizes in the cubic P2_13 space group. Fe(1) is bonded to three equivalent Pt(1) and one Sb(1) atom to form distorted FeSbPt3 trigonal pyramids that share corners with three equivalent Pt(1)Fe3Sb3 octahedra, corners with nine equivalent Sb(1)FePt3 tetrahedra, and corners with six equivalent Fe(1)SbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 76°. Pt(1) is bonded to three equivalent Fe(1) and three equivalent Sb(1) atoms to form distorted PtFe3Sb3 octahedra that share corners with twelve equivalent Pt(1)Fe3Sb3 octahedra, corners with three equivalent Sb(1)FePt3 tetrahedra, and corners with three equivalent Fe(1)SbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 62-66°. Sb(1) is bonded to one Fe(1) and three equivalent Pt(1) atoms to form distorted SbFePt3 tetrahedra that share corners with three equivalent Pt(1)Fe3Sb3 octahedra, corners with six equivalent Sb(1)FePt3 tetrahedra, and corners with nine equivalent Fe(1)SbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°. is represented by the CIF card [CIF]
data_FeSbPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.139
_cell_length_b   6.139
_cell_length_c   6.139
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   231.395
_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
  Fe  Fe0  1  0.622  0.378  0.878  1.0
  Fe  Fe1  1  0.378  0.878  0.622  1.0
  Fe  Fe2  1  0.122  0.122  0.122  1.0
  Fe  Fe3  1  0.878  0.622  0.378  1.0
  Sb  Sb4  1  0.113  0.387  0.613  1.0
  Sb  Sb5  1  0.613  0.113  0.387  1.0
  Sb  Sb6  1  0.387  0.613  0.113  1.0
  Sb  Sb7  1  0.887  0.887  0.887  1.0
  Pt  Pt8  1  0.467  0.033  0.967  1.0
  Pt  Pt9  1  0.967  0.467  0.033  1.0
  Pt  Pt10  1  0.033  0.967  0.467  1.0
  Pt  Pt11  1  0.533  0.533  0.533  1.0
[/CIF]
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The compound described by FePtSb crystallizes in the cubic P2_13 space group. Fe(1) is bonded to three equivalent Pt(1) and one Sb(1) atom to form distorted FeSbPt3 trigonal pyramids that share corners with three equivalent Pt(1)Fe3Sb3 octahedra, corners with nine equivalent Sb(1)FePt3 tetrahedra, and corners with six equivalent Fe(1)SbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 76°. Pt(1) is bonded to three equivalent Fe(1) and three equivalent Sb(1) atoms to form distorted PtFe3Sb3 octahedra that share corners with twelve equivalent Pt(1)Fe3Sb3 octahedra, corners with three equivalent Sb(1)FePt3 tetrahedra, and corners with three equivalent Fe(1)SbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 62-66°. Sb(1) is bonded to one Fe(1) and three equivalent Pt(1) atoms to form distorted SbFePt3 tetrahedra that share corners with three equivalent Pt(1)Fe3Sb3 octahedra, corners with six equivalent Sb(1)FePt3 tetrahedra, and corners with nine equivalent Fe(1)SbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°. is represented by the CIF card [CIF]
data_FeSbPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.139
_cell_length_b   6.139
_cell_length_c   6.139
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   231.395
_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
  Fe  Fe0  1  0.622  0.378  0.878  1.0
  Fe  Fe1  1  0.378  0.878  0.622  1.0
  Fe  Fe2  1  0.122  0.122  0.122  1.0
  Fe  Fe3  1  0.878  0.622  0.378  1.0
  Sb  Sb4  1  0.113  0.387  0.613  1.0
  Sb  Sb5  1  0.613  0.113  0.387  1.0
  Sb  Sb6  1  0.387  0.613  0.113  1.0
  Sb  Sb7  1  0.887  0.887  0.887  1.0
  Pt  Pt8  1  0.467  0.033  0.967  1.0
  Pt  Pt9  1  0.967  0.467  0.033  1.0
  Pt  Pt10  1  0.033  0.967  0.467  1.0
  Pt  Pt11  1  0.533  0.533  0.533  1.0
[/CIF]
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