The material described by TbPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Tb(1) is bonded to twelve equivalent Pd(1) atoms to form TbPd12 cuboctahedra that share corners with twelve equivalent Tb(1)Pd12 cuboctahedra, faces with six equivalent Tb(1)Pd12 cuboctahedra, and faces with eight equivalent B(1)Pd6 octahedra. Pd(1) is bonded to four equivalent Tb(1) and two equivalent B(1) atoms to form a mixture of distorted face, corner, and edge-sharing PdTb4B2 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 Tb(1)Pd12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_TbBPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.328
_cell_length_b   4.328
_cell_length_c   4.328
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   81.054
_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
  Tb  Tb0  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 material described by TbPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Tb(1) is bonded to twelve equivalent Pd(1) atoms to form TbPd12 cuboctahedra that share corners with twelve equivalent Tb(1)Pd12 cuboctahedra, faces with six equivalent Tb(1)Pd12 cuboctahedra, and faces with eight equivalent B(1)Pd6 octahedra. Pd(1) is bonded to four equivalent Tb(1) and two equivalent B(1) atoms to form a mixture of distorted face, corner, and edge-sharing PdTb4B2 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 Tb(1)Pd12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_TbBPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.328
_cell_length_b   4.328
_cell_length_c   4.328
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   81.054
_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
  Tb  Tb0  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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