The compound described by Tb4PdGa12 crystallizes in the cubic Im-3m space group. Tb(1) is bonded to six equivalent Ga(1) and six equivalent Ga(2) atoms to form TbGa12 cuboctahedra that share corners with twelve equivalent Tb(1)Ga12 cuboctahedra, edges with twelve equivalent Ga(2)Tb4Ga8 cuboctahedra, faces with six equivalent Tb(1)Ga12 cuboctahedra, faces with six equivalent Ga(2)Tb4Ga8 cuboctahedra, and faces with two equivalent Pd(1)Ga6 octahedra. Pd(1) is bonded to six equivalent Ga(1) atoms to form PdGa6 octahedra that share corners with twenty-four equivalent Ga(2)Tb4Ga8 cuboctahedra and faces with eight equivalent Tb(1)Ga12 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Tb(1), one Pd(1), and four equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded to four equivalent Tb(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted GaTb4Ga8 cuboctahedra that share corners with four equivalent Ga(2)Tb4Ga8 cuboctahedra, corners with four equivalent Pd(1)Ga6 octahedra, edges with eight equivalent Tb(1)Ga12 cuboctahedra, edges with eight equivalent Ga(2)Tb4Ga8 cuboctahedra, faces with four equivalent Tb(1)Ga12 cuboctahedra, and faces with six equivalent Ga(2)Tb4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 51°. is represented by the CIF card [CIF]
data_Tb4Ga12Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.430
_cell_length_b   7.430
_cell_length_c   7.430
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   315.743
_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  0.500  0.000  0.000  1.0
  Tb  Tb1  1  0.500  0.500  0.500  1.0
  Tb  Tb2  1  0.000  0.000  0.500  1.0
  Tb  Tb3  1  0.000  0.500  0.000  1.0
  Ga  Ga4  1  0.000  0.297  0.297  1.0
  Ga  Ga5  1  0.250  0.500  0.750  1.0
  Ga  Ga6  1  0.703  0.000  0.703  1.0
  Ga  Ga7  1  0.000  0.703  0.703  1.0
  Ga  Ga8  1  0.500  0.750  0.250  1.0
  Ga  Ga9  1  0.250  0.750  0.500  1.0
  Ga  Ga10  1  0.750  0.250  0.500  1.0
  Ga  Ga11  1  0.297  0.297  0.000  1.0
  Ga  Ga12  1  0.500  0.250  0.750  1.0
  Ga  Ga13  1  0.750  0.500  0.250  1.0
  Ga  Ga14  1  0.703  0.703  0.000  1.0
  Ga  Ga15  1  0.297  0.000  0.297  1.0
  Pd  Pd16  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Tb4PdGa12 crystallizes in the cubic Im-3m space group. Tb(1) is bonded to six equivalent Ga(1) and six equivalent Ga(2) atoms to form TbGa12 cuboctahedra that share corners with twelve equivalent Tb(1)Ga12 cuboctahedra, edges with twelve equivalent Ga(2)Tb4Ga8 cuboctahedra, faces with six equivalent Tb(1)Ga12 cuboctahedra, faces with six equivalent Ga(2)Tb4Ga8 cuboctahedra, and faces with two equivalent Pd(1)Ga6 octahedra. Pd(1) is bonded to six equivalent Ga(1) atoms to form PdGa6 octahedra that share corners with twenty-four equivalent Ga(2)Tb4Ga8 cuboctahedra and faces with eight equivalent Tb(1)Ga12 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Tb(1), one Pd(1), and four equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded to four equivalent Tb(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted GaTb4Ga8 cuboctahedra that share corners with four equivalent Ga(2)Tb4Ga8 cuboctahedra, corners with four equivalent Pd(1)Ga6 octahedra, edges with eight equivalent Tb(1)Ga12 cuboctahedra, edges with eight equivalent Ga(2)Tb4Ga8 cuboctahedra, faces with four equivalent Tb(1)Ga12 cuboctahedra, and faces with six equivalent Ga(2)Tb4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 51°. is represented by the CIF card [CIF]
data_Tb4Ga12Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.430
_cell_length_b   7.430
_cell_length_c   7.430
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   315.743
_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  0.500  0.000  0.000  1.0
  Tb  Tb1  1  0.500  0.500  0.500  1.0
  Tb  Tb2  1  0.000  0.000  0.500  1.0
  Tb  Tb3  1  0.000  0.500  0.000  1.0
  Ga  Ga4  1  0.000  0.297  0.297  1.0
  Ga  Ga5  1  0.250  0.500  0.750  1.0
  Ga  Ga6  1  0.703  0.000  0.703  1.0
  Ga  Ga7  1  0.000  0.703  0.703  1.0
  Ga  Ga8  1  0.500  0.750  0.250  1.0
  Ga  Ga9  1  0.250  0.750  0.500  1.0
  Ga  Ga10  1  0.750  0.250  0.500  1.0
  Ga  Ga11  1  0.297  0.297  0.000  1.0
  Ga  Ga12  1  0.500  0.250  0.750  1.0
  Ga  Ga13  1  0.750  0.500  0.250  1.0
  Ga  Ga14  1  0.703  0.703  0.000  1.0
  Ga  Ga15  1  0.297  0.000  0.297  1.0
  Pd  Pd16  1  0.000  0.000  0.000  1.0
[/CIF]
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