The compound described by Tb3Pd4 crystallizes in the triclinic P-1 space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 9-coordinate geometry to one Pd(1), one Pd(2), two equivalent Pd(3), two equivalent Pd(5), and three equivalent Pd(4) atoms. In the second Tb site, Tb(2) is bonded in a 9-coordinate geometry to one Pd(1), one Pd(2), two equivalent Pd(3), two equivalent Pd(4), and three equivalent Pd(5) atoms. In the third Tb site, Tb(3) is bonded in a 9-coordinate geometry to one Pd(1), one Pd(2), two equivalent Pd(4), two equivalent Pd(5), and three equivalent Pd(3) atoms. There are five inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 6-coordinate geometry to two equivalent Tb(1), two equivalent Tb(2), and two equivalent Tb(3) atoms. In the second Pd site, Pd(2) is bonded in a distorted octahedral geometry to two equivalent Tb(1), two equivalent Tb(2), and two equivalent Tb(3) atoms. In the third Pd site, Pd(3) is bonded in a 10-coordinate geometry to two equivalent Tb(1), two equivalent Tb(2), three equivalent Tb(3), one Pd(3), one Pd(4), and one Pd(5) atom. In the fourth Pd site, Pd(4) is bonded in a 10-coordinate geometry to two equivalent Tb(2), two equivalent Tb(3), three equivalent Tb(1), one Pd(3), one Pd(4), and one Pd(5) atom. In the fifth Pd site, Pd(5) is bonded in a 10-coordinate geometry to two equivalent Tb(1), two equivalent Tb(3), three equivalent Tb(2), one Pd(3), one Pd(4), and one Pd(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb3Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.724
_cell_length_b   7.875
_cell_length_c   7.876
_cell_angle_alpha   114.440
_cell_angle_beta   104.040
_cell_angle_gamma   104.014
_symmetry_Int_Tables_number   1
_cell_volume   289.014
_cell_formula_units_Z   2
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  0.406  0.127  0.379  1.0
  Tb  Tb1  1  0.027  0.621  0.749  1.0
  Tb  Tb2  1  0.278  0.251  0.873  1.0
  Tb  Tb3  1  0.594  0.873  0.621  1.0
  Tb  Tb4  1  0.973  0.379  0.251  1.0
  Tb  Tb5  1  0.722  0.749  0.127  1.0
  Pd  Pd6  1  1.000  0.000  1.000  1.0
  Pd  Pd7  1  0.500  0.000  1.000  1.0
  Pd  Pd8  1  0.226  0.675  0.165  1.0
  Pd  Pd9  1  0.061  0.835  0.510  1.0
  Pd  Pd10  1  0.550  0.490  0.325  1.0
  Pd  Pd11  1  0.774  0.325  0.835  1.0
  Pd  Pd12  1  0.939  0.165  0.490  1.0
  Pd  Pd13  1  0.450  0.510  0.675  1.0
[/CIF]
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The compound described by Tb3Pd4 crystallizes in the triclinic P-1 space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 9-coordinate geometry to one Pd(1), one Pd(2), two equivalent Pd(3), two equivalent Pd(5), and three equivalent Pd(4) atoms. In the second Tb site, Tb(2) is bonded in a 9-coordinate geometry to one Pd(1), one Pd(2), two equivalent Pd(3), two equivalent Pd(4), and three equivalent Pd(5) atoms. In the third Tb site, Tb(3) is bonded in a 9-coordinate geometry to one Pd(1), one Pd(2), two equivalent Pd(4), two equivalent Pd(5), and three equivalent Pd(3) atoms. There are five inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 6-coordinate geometry to two equivalent Tb(1), two equivalent Tb(2), and two equivalent Tb(3) atoms. In the second Pd site, Pd(2) is bonded in a distorted octahedral geometry to two equivalent Tb(1), two equivalent Tb(2), and two equivalent Tb(3) atoms. In the third Pd site, Pd(3) is bonded in a 10-coordinate geometry to two equivalent Tb(1), two equivalent Tb(2), three equivalent Tb(3), one Pd(3), one Pd(4), and one Pd(5) atom. In the fourth Pd site, Pd(4) is bonded in a 10-coordinate geometry to two equivalent Tb(2), two equivalent Tb(3), three equivalent Tb(1), one Pd(3), one Pd(4), and one Pd(5) atom. In the fifth Pd site, Pd(5) is bonded in a 10-coordinate geometry to two equivalent Tb(1), two equivalent Tb(3), three equivalent Tb(2), one Pd(3), one Pd(4), and one Pd(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb3Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.724
_cell_length_b   7.875
_cell_length_c   7.876
_cell_angle_alpha   114.440
_cell_angle_beta   104.040
_cell_angle_gamma   104.014
_symmetry_Int_Tables_number   1
_cell_volume   289.014
_cell_formula_units_Z   2
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  0.406  0.127  0.379  1.0
  Tb  Tb1  1  0.027  0.621  0.749  1.0
  Tb  Tb2  1  0.278  0.251  0.873  1.0
  Tb  Tb3  1  0.594  0.873  0.621  1.0
  Tb  Tb4  1  0.973  0.379  0.251  1.0
  Tb  Tb5  1  0.722  0.749  0.127  1.0
  Pd  Pd6  1  1.000  0.000  1.000  1.0
  Pd  Pd7  1  0.500  0.000  1.000  1.0
  Pd  Pd8  1  0.226  0.675  0.165  1.0
  Pd  Pd9  1  0.061  0.835  0.510  1.0
  Pd  Pd10  1  0.550  0.490  0.325  1.0
  Pd  Pd11  1  0.774  0.325  0.835  1.0
  Pd  Pd12  1  0.939  0.165  0.490  1.0
  Pd  Pd13  1  0.450  0.510  0.675  1.0
[/CIF]
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