The crystal structure described by Mn2PtAuSb2 is half-Heusler-derived structured and crystallizes in the trigonal R3m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one Pt(1), three equivalent Au(1), three equivalent Sb(1), and three equivalent Sb(2) atoms to form distorted MnSb6PtAu3 tetrahedra that share corners with six equivalent Mn(2)Sb6Pt3Au tetrahedra, faces with six equivalent Mn(2)Sb6Pt3Au tetrahedra, and faces with six equivalent Mn(1)Sb6PtAu3 tetrahedra. In the second Mn site, Mn(2) is bonded to three equivalent Pt(1), one Au(1), three equivalent Sb(1), and three equivalent Sb(2) atoms to form distorted MnSb6Pt3Au tetrahedra that share corners with six equivalent Mn(1)Sb6PtAu3 tetrahedra, faces with six equivalent Mn(2)Sb6Pt3Au tetrahedra, and faces with six equivalent Mn(1)Sb6PtAu3 tetrahedra. Pt(1) is bonded in a body-centered cubic geometry to one Mn(1), three equivalent Mn(2), one Sb(2), and three equivalent Sb(1) atoms. Au(1) is bonded in a body-centered cubic geometry to one Mn(2), three equivalent Mn(1), one Sb(1), and three equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 10-coordinate geometry to three equivalent Mn(1), three equivalent Mn(2), three equivalent Pt(1), and one Au(1) atom. In the second Sb site, Sb(2) is bonded in a 10-coordinate geometry to three equivalent Mn(1), three equivalent Mn(2), one Pt(1), and three equivalent Au(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2Sb2PtAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.789
_cell_length_b   7.789
_cell_length_c   7.789
_cell_angle_alpha   33.465
_cell_angle_beta   33.465
_cell_angle_gamma   33.465
_symmetry_Int_Tables_number   1
_cell_volume   127.984
_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
  Mn  Mn0  1  0.747  0.747  0.747  1.0
  Mn  Mn1  1  0.252  0.252  0.252  1.0
  Sb  Sb2  1  0.997  0.997  0.997  1.0
  Sb  Sb3  1  0.504  0.504  0.504  1.0
  Pt  Pt4  1  0.626  0.626  0.626  1.0
  Au  Au5  1  0.124  0.124  0.124  1.0
[/CIF]
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The crystal structure described by Mn2PtAuSb2 is half-Heusler-derived structured and crystallizes in the trigonal R3m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one Pt(1), three equivalent Au(1), three equivalent Sb(1), and three equivalent Sb(2) atoms to form distorted MnSb6PtAu3 tetrahedra that share corners with six equivalent Mn(2)Sb6Pt3Au tetrahedra, faces with six equivalent Mn(2)Sb6Pt3Au tetrahedra, and faces with six equivalent Mn(1)Sb6PtAu3 tetrahedra. In the second Mn site, Mn(2) is bonded to three equivalent Pt(1), one Au(1), three equivalent Sb(1), and three equivalent Sb(2) atoms to form distorted MnSb6Pt3Au tetrahedra that share corners with six equivalent Mn(1)Sb6PtAu3 tetrahedra, faces with six equivalent Mn(2)Sb6Pt3Au tetrahedra, and faces with six equivalent Mn(1)Sb6PtAu3 tetrahedra. Pt(1) is bonded in a body-centered cubic geometry to one Mn(1), three equivalent Mn(2), one Sb(2), and three equivalent Sb(1) atoms. Au(1) is bonded in a body-centered cubic geometry to one Mn(2), three equivalent Mn(1), one Sb(1), and three equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 10-coordinate geometry to three equivalent Mn(1), three equivalent Mn(2), three equivalent Pt(1), and one Au(1) atom. In the second Sb site, Sb(2) is bonded in a 10-coordinate geometry to three equivalent Mn(1), three equivalent Mn(2), one Pt(1), and three equivalent Au(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2Sb2PtAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.789
_cell_length_b   7.789
_cell_length_c   7.789
_cell_angle_alpha   33.465
_cell_angle_beta   33.465
_cell_angle_gamma   33.465
_symmetry_Int_Tables_number   1
_cell_volume   127.984
_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
  Mn  Mn0  1  0.747  0.747  0.747  1.0
  Mn  Mn1  1  0.252  0.252  0.252  1.0
  Sb  Sb2  1  0.997  0.997  0.997  1.0
  Sb  Sb3  1  0.504  0.504  0.504  1.0
  Pt  Pt4  1  0.626  0.626  0.626  1.0
  Au  Au5  1  0.124  0.124  0.124  1.0
[/CIF]
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