The material structure described by La3Pd4 crystallizes in the trigonal R-3 space group. La(1) is bonded in a 9-coordinate geometry to one Pd(1), one Pd(2), and seven equivalent Pd(3) atoms. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 6-coordinate geometry to six equivalent La(1) and two equivalent Pd(2) atoms. In the second Pd site, Pd(2) is bonded in a 8-coordinate geometry to six equivalent La(1) and two equivalent Pd(1) atoms. In the third Pd site, Pd(3) is bonded in a 10-coordinate geometry to seven equivalent La(1) and three equivalent Pd(3) atoms. is represented by the CIF file [CIF]
data_La3Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.809
_cell_length_b   8.317
_cell_length_c   8.317
_cell_angle_alpha   114.752
_cell_angle_beta   103.463
_cell_angle_gamma   103.463
_symmetry_Int_Tables_number   1
_cell_volume   329.087
_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
  La  La0  1  0.406  0.124  0.376  1.0
  La  La1  1  0.030  0.624  0.748  1.0
  La  La2  1  0.283  0.252  0.876  1.0
  La  La3  1  0.594  0.876  0.624  1.0
  La  La4  1  0.970  0.376  0.252  1.0
  La  La5  1  0.717  0.748  0.124  1.0
  Pd  Pd6  1  0.000  0.000  0.000  1.0
  Pd  Pd7  1  0.500  0.000  0.000  1.0
  Pd  Pd8  1  0.221  0.660  0.164  1.0
  Pd  Pd9  1  0.057  0.836  0.496  1.0
  Pd  Pd10  1  0.561  0.504  0.340  1.0
  Pd  Pd11  1  0.779  0.340  0.836  1.0
  Pd  Pd12  1  0.943  0.164  0.504  1.0
  Pd  Pd13  1  0.439  0.496  0.660  1.0
[/CIF]
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The material structure described by La3Pd4 crystallizes in the trigonal R-3 space group. La(1) is bonded in a 9-coordinate geometry to one Pd(1), one Pd(2), and seven equivalent Pd(3) atoms. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 6-coordinate geometry to six equivalent La(1) and two equivalent Pd(2) atoms. In the second Pd site, Pd(2) is bonded in a 8-coordinate geometry to six equivalent La(1) and two equivalent Pd(1) atoms. In the third Pd site, Pd(3) is bonded in a 10-coordinate geometry to seven equivalent La(1) and three equivalent Pd(3) atoms. is represented by the CIF file [CIF]
data_La3Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.809
_cell_length_b   8.317
_cell_length_c   8.317
_cell_angle_alpha   114.752
_cell_angle_beta   103.463
_cell_angle_gamma   103.463
_symmetry_Int_Tables_number   1
_cell_volume   329.087
_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
  La  La0  1  0.406  0.124  0.376  1.0
  La  La1  1  0.030  0.624  0.748  1.0
  La  La2  1  0.283  0.252  0.876  1.0
  La  La3  1  0.594  0.876  0.624  1.0
  La  La4  1  0.970  0.376  0.252  1.0
  La  La5  1  0.717  0.748  0.124  1.0
  Pd  Pd6  1  0.000  0.000  0.000  1.0
  Pd  Pd7  1  0.500  0.000  0.000  1.0
  Pd  Pd8  1  0.221  0.660  0.164  1.0
  Pd  Pd9  1  0.057  0.836  0.496  1.0
  Pd  Pd10  1  0.561  0.504  0.340  1.0
  Pd  Pd11  1  0.779  0.340  0.836  1.0
  Pd  Pd12  1  0.943  0.164  0.504  1.0
  Pd  Pd13  1  0.439  0.496  0.660  1.0
[/CIF]
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