The compound described by LaPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. La(1) is bonded to twelve equivalent Pd(1) atoms to form LaPd12 cuboctahedra that share corners with twelve equivalent La(1)Pd12 cuboctahedra, faces with six equivalent La(1)Pd12 cuboctahedra, and faces with eight equivalent B(1)Pd6 octahedra. Pd(1) is bonded to four equivalent La(1) and two equivalent B(1) atoms to form a mixture of distorted edge, face, and corner-sharing PdLa4B2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. B(1) is bonded to six equivalent Pd(1) atoms to form BPd6 octahedra that share corners with six equivalent B(1)Pd6 octahedra and faces with eight equivalent La(1)Pd12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_LaBPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.417
_cell_length_b   4.417
_cell_length_c   4.417
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   86.200
_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
  La  La0  1  0.000  0.000  0.000  1.0
  B  B1  1  0.500  0.500  0.500  1.0
  Pd  Pd2  1  0.000  0.500  0.500  1.0
  Pd  Pd3  1  0.500  0.500  0.000  1.0
  Pd  Pd4  1  0.500  0.000  0.500  1.0
[/CIF]
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The compound described by LaPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. La(1) is bonded to twelve equivalent Pd(1) atoms to form LaPd12 cuboctahedra that share corners with twelve equivalent La(1)Pd12 cuboctahedra, faces with six equivalent La(1)Pd12 cuboctahedra, and faces with eight equivalent B(1)Pd6 octahedra. Pd(1) is bonded to four equivalent La(1) and two equivalent B(1) atoms to form a mixture of distorted edge, face, and corner-sharing PdLa4B2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. B(1) is bonded to six equivalent Pd(1) atoms to form BPd6 octahedra that share corners with six equivalent B(1)Pd6 octahedra and faces with eight equivalent La(1)Pd12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_LaBPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.417
_cell_length_b   4.417
_cell_length_c   4.417
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   86.200
_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
  La  La0  1  0.000  0.000  0.000  1.0
  B  B1  1  0.500  0.500  0.500  1.0
  Pd  Pd2  1  0.000  0.500  0.500  1.0
  Pd  Pd3  1  0.500  0.500  0.000  1.0
  Pd  Pd4  1  0.500  0.000  0.500  1.0
[/CIF]
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