The material described by PdBiTe is Spinel-like structured and crystallizes in the cubic P2_13 space group. Pd(1) is bonded to three equivalent Bi(1) and three equivalent Te(1) atoms to form PdBi3Te3 octahedra that share corners with twelve equivalent Pd(1)Bi3Te3 octahedra, corners with three equivalent Bi(1)TePd3 trigonal pyramids, and corners with three equivalent Te(1)BiPd3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 62-63°. Bi(1) is bonded to three equivalent Pd(1) and one Te(1) atom to form BiTePd3 trigonal pyramids that share corners with three equivalent Pd(1)Bi3Te3 octahedra, corners with six equivalent Bi(1)TePd3 trigonal pyramids, and corners with nine equivalent Te(1)BiPd3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. Te(1) is bonded to three equivalent Pd(1) and one Bi(1) atom to form TeBiPd3 trigonal pyramids that share corners with three equivalent Pd(1)Bi3Te3 octahedra, corners with six equivalent Te(1)BiPd3 trigonal pyramids, and corners with nine equivalent Bi(1)TePd3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°. is represented by the CIF file [CIF]
data_BiTePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.724
_cell_length_b   6.724
_cell_length_c   6.724
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   303.955
_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
  Bi  Bi0  1  0.369  0.369  0.369  1.0
  Bi  Bi1  1  0.131  0.631  0.869  1.0
  Bi  Bi2  1  0.869  0.131  0.631  1.0
  Bi  Bi3  1  0.631  0.869  0.131  1.0
  Te  Te4  1  0.625  0.625  0.625  1.0
  Te  Te5  1  0.875  0.375  0.125  1.0
  Te  Te6  1  0.125  0.875  0.375  1.0
  Te  Te7  1  0.375  0.125  0.875  1.0
  Pd  Pd8  1  0.004  0.004  0.004  1.0
  Pd  Pd9  1  0.496  0.996  0.504  1.0
  Pd  Pd10  1  0.504  0.496  0.996  1.0
  Pd  Pd11  1  0.996  0.504  0.496  1.0
[/CIF]
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The material described by PdBiTe is Spinel-like structured and crystallizes in the cubic P2_13 space group. Pd(1) is bonded to three equivalent Bi(1) and three equivalent Te(1) atoms to form PdBi3Te3 octahedra that share corners with twelve equivalent Pd(1)Bi3Te3 octahedra, corners with three equivalent Bi(1)TePd3 trigonal pyramids, and corners with three equivalent Te(1)BiPd3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 62-63°. Bi(1) is bonded to three equivalent Pd(1) and one Te(1) atom to form BiTePd3 trigonal pyramids that share corners with three equivalent Pd(1)Bi3Te3 octahedra, corners with six equivalent Bi(1)TePd3 trigonal pyramids, and corners with nine equivalent Te(1)BiPd3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. Te(1) is bonded to three equivalent Pd(1) and one Bi(1) atom to form TeBiPd3 trigonal pyramids that share corners with three equivalent Pd(1)Bi3Te3 octahedra, corners with six equivalent Te(1)BiPd3 trigonal pyramids, and corners with nine equivalent Bi(1)TePd3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°. is represented by the CIF file [CIF]
data_BiTePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.724
_cell_length_b   6.724
_cell_length_c   6.724
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   303.955
_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
  Bi  Bi0  1  0.369  0.369  0.369  1.0
  Bi  Bi1  1  0.131  0.631  0.869  1.0
  Bi  Bi2  1  0.869  0.131  0.631  1.0
  Bi  Bi3  1  0.631  0.869  0.131  1.0
  Te  Te4  1  0.625  0.625  0.625  1.0
  Te  Te5  1  0.875  0.375  0.125  1.0
  Te  Te6  1  0.125  0.875  0.375  1.0
  Te  Te7  1  0.375  0.125  0.875  1.0
  Pd  Pd8  1  0.004  0.004  0.004  1.0
  Pd  Pd9  1  0.496  0.996  0.504  1.0
  Pd  Pd10  1  0.504  0.496  0.996  1.0
  Pd  Pd11  1  0.996  0.504  0.496  1.0
[/CIF]
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