The material described by TaOsPb is half-Heusler structured and crystallizes in the cubic F-43m space group. Ta(1) is bonded in a body-centered cubic geometry to four equivalent Os(1) and four equivalent Pb(1) atoms. Os(1) is bonded to four equivalent Ta(1) atoms to form distorted OsTa4 tetrahedra that share corners with four equivalent Pb(1)Ta4 tetrahedra, corners with twelve equivalent Os(1)Ta4 tetrahedra, and edges with six equivalent Pb(1)Ta4 tetrahedra. Pb(1) is bonded to four equivalent Ta(1) atoms to form PbTa4 tetrahedra that share corners with four equivalent Os(1)Ta4 tetrahedra, corners with twelve equivalent Pb(1)Ta4 tetrahedra, and edges with six equivalent Os(1)Ta4 tetrahedra. is represented by the CIF card [CIF]
data_TaOsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.530
_cell_length_b   4.530
_cell_length_c   4.530
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   65.730
_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
  Ta  Ta0  1  0.750  0.750  0.750  1.0
  Os  Os1  1  0.000  0.000  0.000  1.0
  Pb  Pb2  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by TaOsPb is half-Heusler structured and crystallizes in the cubic F-43m space group. Ta(1) is bonded in a body-centered cubic geometry to four equivalent Os(1) and four equivalent Pb(1) atoms. Os(1) is bonded to four equivalent Ta(1) atoms to form distorted OsTa4 tetrahedra that share corners with four equivalent Pb(1)Ta4 tetrahedra, corners with twelve equivalent Os(1)Ta4 tetrahedra, and edges with six equivalent Pb(1)Ta4 tetrahedra. Pb(1) is bonded to four equivalent Ta(1) atoms to form PbTa4 tetrahedra that share corners with four equivalent Os(1)Ta4 tetrahedra, corners with twelve equivalent Pb(1)Ta4 tetrahedra, and edges with six equivalent Os(1)Ta4 tetrahedra. is represented by the CIF card [CIF]
data_TaOsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.530
_cell_length_b   4.530
_cell_length_c   4.530
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   65.730
_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
  Ta  Ta0  1  0.750  0.750  0.750  1.0
  Os  Os1  1  0.000  0.000  0.000  1.0
  Pb  Pb2  1  0.500  0.500  0.500  1.0
[/CIF]
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