The crystal structure described by PdSbAs is Spinel-like structured and crystallizes in the cubic P2_13 space group. Pd(1) is bonded to three equivalent Sb(1) and three equivalent As(1) atoms to form PdSb3As3 octahedra that share corners with twelve equivalent Pd(1)Sb3As3 octahedra, corners with three equivalent Sb(1)AsPd3 tetrahedra, and corners with three equivalent As(1)SbPd3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 63-64°. Sb(1) is bonded to three equivalent Pd(1) and one As(1) atom to form SbAsPd3 tetrahedra that share corners with three equivalent Pd(1)Sb3As3 octahedra, corners with six equivalent Sb(1)AsPd3 tetrahedra, and corners with nine equivalent As(1)SbPd3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. As(1) is bonded to three equivalent Pd(1) and one Sb(1) atom to form AsSbPd3 trigonal pyramids that share corners with three equivalent Pd(1)Sb3As3 octahedra, corners with nine equivalent Sb(1)AsPd3 tetrahedra, and corners with six equivalent As(1)SbPd3 trigonal pyramids. The corner-sharing octahedral tilt angles are 78°. is represented by the CIF card [CIF]
data_SbAsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.278
_cell_length_b   6.278
_cell_length_c   6.278
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   247.455
_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
  Sb  Sb0  1  0.880  0.120  0.620  1.0
  Sb  Sb1  1  0.120  0.620  0.880  1.0
  Sb  Sb2  1  0.620  0.880  0.120  1.0
  Sb  Sb3  1  0.380  0.380  0.380  1.0
  As  As4  1  0.123  0.877  0.377  1.0
  As  As5  1  0.877  0.377  0.123  1.0
  As  As6  1  0.377  0.123  0.877  1.0
  As  As7  1  0.623  0.623  0.623  1.0
  Pd  Pd8  1  0.509  0.491  0.991  1.0
  Pd  Pd9  1  0.491  0.991  0.509  1.0
  Pd  Pd10  1  0.991  0.509  0.491  1.0
  Pd  Pd11  1  0.009  0.009  0.009  1.0
[/CIF]
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The crystal structure described by PdSbAs is Spinel-like structured and crystallizes in the cubic P2_13 space group. Pd(1) is bonded to three equivalent Sb(1) and three equivalent As(1) atoms to form PdSb3As3 octahedra that share corners with twelve equivalent Pd(1)Sb3As3 octahedra, corners with three equivalent Sb(1)AsPd3 tetrahedra, and corners with three equivalent As(1)SbPd3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 63-64°. Sb(1) is bonded to three equivalent Pd(1) and one As(1) atom to form SbAsPd3 tetrahedra that share corners with three equivalent Pd(1)Sb3As3 octahedra, corners with six equivalent Sb(1)AsPd3 tetrahedra, and corners with nine equivalent As(1)SbPd3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. As(1) is bonded to three equivalent Pd(1) and one Sb(1) atom to form AsSbPd3 trigonal pyramids that share corners with three equivalent Pd(1)Sb3As3 octahedra, corners with nine equivalent Sb(1)AsPd3 tetrahedra, and corners with six equivalent As(1)SbPd3 trigonal pyramids. The corner-sharing octahedral tilt angles are 78°. is represented by the CIF card [CIF]
data_SbAsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.278
_cell_length_b   6.278
_cell_length_c   6.278
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   247.455
_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
  Sb  Sb0  1  0.880  0.120  0.620  1.0
  Sb  Sb1  1  0.120  0.620  0.880  1.0
  Sb  Sb2  1  0.620  0.880  0.120  1.0
  Sb  Sb3  1  0.380  0.380  0.380  1.0
  As  As4  1  0.123  0.877  0.377  1.0
  As  As5  1  0.877  0.377  0.123  1.0
  As  As6  1  0.377  0.123  0.877  1.0
  As  As7  1  0.623  0.623  0.623  1.0
  Pd  Pd8  1  0.509  0.491  0.991  1.0
  Pd  Pd9  1  0.491  0.991  0.509  1.0
  Pd  Pd10  1  0.991  0.509  0.491  1.0
  Pd  Pd11  1  0.009  0.009  0.009  1.0
[/CIF]
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