The material described by FePtSb is Ilmenite-like structured and crystallizes in the trigonal R3 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent Pt(1) and one Sb(2) atom to form distorted FeSbPt3 tetrahedra that share corners with three equivalent Pt(1)Fe3Sb3 octahedra, corners with three equivalent Sb(2)FePt3 tetrahedra, corners with six equivalent Sb(1)FePt3 tetrahedra, and corners with six equivalent Fe(2)SbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 76°. In the second Fe site, Fe(2) is bonded to one Pt(2), two equivalent Pt(1), and one Sb(1) atom to form distorted FeSbPt3 trigonal pyramids that share  a cornercorner with one Pt(2)Fe3Sb3 octahedra, corners with two equivalent Pt(1)Fe3Sb3 octahedra, corners with two equivalent Fe(1)SbPt3 tetrahedra, corners with two equivalent Sb(2)FePt3 tetrahedra, corners with seven equivalent Sb(1)FePt3 tetrahedra, and corners with four equivalent Fe(2)SbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 78-80°. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to one Fe(1), two equivalent Fe(2), one Sb(2), and two equivalent Sb(1) atoms to form PtFe3Sb3 octahedra that share corners with four equivalent Pt(2)Fe3Sb3 octahedra, corners with eight equivalent Pt(1)Fe3Sb3 octahedra,  a cornercorner with one Fe(1)SbPt3 tetrahedra,  a cornercorner with one Sb(2)FePt3 tetrahedra, corners with two equivalent Sb(1)FePt3 tetrahedra, and corners with two equivalent Fe(2)SbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 61-66°. In the second Pt site, Pt(2) is bonded to three equivalent Fe(2) and three equivalent Sb(1) atoms to form 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(2)SbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 61-65°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one Fe(2), one Pt(2), and two equivalent Pt(1) atoms to form distorted SbFePt3 tetrahedra that share  a cornercorner with one Pt(2)Fe3Sb3 octahedra, corners with two equivalent Pt(1)Fe3Sb3 octahedra, corners with two equivalent Fe(1)SbPt3 tetrahedra, corners with two equivalent Sb(2)FePt3 tetrahedra, corners with four equivalent Sb(1)FePt3 tetrahedra, and corners with seven equivalent Fe(2)SbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°. In the second Sb site, Sb(2) 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 three equivalent Fe(1)SbPt3 tetrahedra, corners with six equivalent Sb(1)FePt3 tetrahedra, and corners with six equivalent Fe(2)SbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 79°. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeSbPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.232
_cell_length_b   6.232
_cell_length_c   6.232
_cell_angle_alpha   89.039
_cell_angle_beta   89.039
_cell_angle_gamma   89.039
_symmetry_Int_Tables_number   1
_cell_volume   241.959
_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  0.384  0.384  0.384  1.0
  Fe  Fe1  1  0.621  0.875  0.123  1.0
  Fe  Fe2  1  0.875  0.123  0.621  1.0
  Fe  Fe3  1  0.123  0.621  0.875  1.0
  Sb  Sb4  1  0.876  0.375  0.127  1.0
  Sb  Sb5  1  0.375  0.127  0.876  1.0
  Sb  Sb6  1  0.613  0.613  0.613  1.0
  Sb  Sb7  1  0.127  0.876  0.375  1.0
  Pt  Pt8  1  0.521  0.028  0.477  1.0
  Pt  Pt9  1  0.028  0.477  0.521  1.0
  Pt  Pt10  1  0.979  0.979  0.979  1.0
  Pt  Pt11  1  0.477  0.521  0.028  1.0
[/CIF]
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The material described by FePtSb is Ilmenite-like structured and crystallizes in the trigonal R3 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent Pt(1) and one Sb(2) atom to form distorted FeSbPt3 tetrahedra that share corners with three equivalent Pt(1)Fe3Sb3 octahedra, corners with three equivalent Sb(2)FePt3 tetrahedra, corners with six equivalent Sb(1)FePt3 tetrahedra, and corners with six equivalent Fe(2)SbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 76°. In the second Fe site, Fe(2) is bonded to one Pt(2), two equivalent Pt(1), and one Sb(1) atom to form distorted FeSbPt3 trigonal pyramids that share  a cornercorner with one Pt(2)Fe3Sb3 octahedra, corners with two equivalent Pt(1)Fe3Sb3 octahedra, corners with two equivalent Fe(1)SbPt3 tetrahedra, corners with two equivalent Sb(2)FePt3 tetrahedra, corners with seven equivalent Sb(1)FePt3 tetrahedra, and corners with four equivalent Fe(2)SbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 78-80°. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to one Fe(1), two equivalent Fe(2), one Sb(2), and two equivalent Sb(1) atoms to form PtFe3Sb3 octahedra that share corners with four equivalent Pt(2)Fe3Sb3 octahedra, corners with eight equivalent Pt(1)Fe3Sb3 octahedra,  a cornercorner with one Fe(1)SbPt3 tetrahedra,  a cornercorner with one Sb(2)FePt3 tetrahedra, corners with two equivalent Sb(1)FePt3 tetrahedra, and corners with two equivalent Fe(2)SbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 61-66°. In the second Pt site, Pt(2) is bonded to three equivalent Fe(2) and three equivalent Sb(1) atoms to form 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(2)SbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 61-65°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one Fe(2), one Pt(2), and two equivalent Pt(1) atoms to form distorted SbFePt3 tetrahedra that share  a cornercorner with one Pt(2)Fe3Sb3 octahedra, corners with two equivalent Pt(1)Fe3Sb3 octahedra, corners with two equivalent Fe(1)SbPt3 tetrahedra, corners with two equivalent Sb(2)FePt3 tetrahedra, corners with four equivalent Sb(1)FePt3 tetrahedra, and corners with seven equivalent Fe(2)SbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°. In the second Sb site, Sb(2) 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 three equivalent Fe(1)SbPt3 tetrahedra, corners with six equivalent Sb(1)FePt3 tetrahedra, and corners with six equivalent Fe(2)SbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 79°. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeSbPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.232
_cell_length_b   6.232
_cell_length_c   6.232
_cell_angle_alpha   89.039
_cell_angle_beta   89.039
_cell_angle_gamma   89.039
_symmetry_Int_Tables_number   1
_cell_volume   241.959
_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  0.384  0.384  0.384  1.0
  Fe  Fe1  1  0.621  0.875  0.123  1.0
  Fe  Fe2  1  0.875  0.123  0.621  1.0
  Fe  Fe3  1  0.123  0.621  0.875  1.0
  Sb  Sb4  1  0.876  0.375  0.127  1.0
  Sb  Sb5  1  0.375  0.127  0.876  1.0
  Sb  Sb6  1  0.613  0.613  0.613  1.0
  Sb  Sb7  1  0.127  0.876  0.375  1.0
  Pt  Pt8  1  0.521  0.028  0.477  1.0
  Pt  Pt9  1  0.028  0.477  0.521  1.0
  Pt  Pt10  1  0.979  0.979  0.979  1.0
  Pt  Pt11  1  0.477  0.521  0.028  1.0
[/CIF]
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