The compound described by Pd13Ga5 crystallizes in the monoclinic C2/m space group. There are seven inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted square co-planar geometry to two equivalent Ga(1) and two equivalent Ga(2) atoms. In the second Pd site, Pd(2) is bonded in a 4-coordinate geometry to one Pd(4), one Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms. In the third Pd site, Pd(3) is bonded in a 4-coordinate geometry to four equivalent Pd(4), one Ga(2), and three equivalent Ga(3) atoms. In the fourth Pd site, Pd(4) is bonded to one Pd(2), two equivalent Pd(4), three equivalent Pd(5), four equivalent Pd(3), and two equivalent Ga(3) atoms to form a mixture of distorted edge, face, and corner-sharing PdGa2Pd10 cuboctahedra. In the fifth Pd site, Pd(5) is bonded in a 3-coordinate geometry to three equivalent Pd(4), two equivalent Ga(2), and two equivalent Ga(3) atoms. In the sixth Pd site, Pd(6) is bonded in a 3-coordinate geometry to one Ga(3) and two equivalent Ga(2) atoms. In the seventh Pd site, Pd(7) is bonded in a 2-coordinate geometry to two equivalent Ga(1) and two equivalent Ga(2) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted body-centered cubic geometry to two equivalent Pd(1), two equivalent Pd(2), and four equivalent Pd(7) atoms. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to one Pd(1), one Pd(3), two equivalent Pd(2), two equivalent Pd(5), two equivalent Pd(6), and two equivalent Pd(7) atoms. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to one Pd(6), two equivalent Pd(2), two equivalent Pd(4), two equivalent Pd(5), and three equivalent Pd(3) atoms. is represented by the CIF file [CIF]
data_Ga5Pd13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.052
_cell_length_b   5.495
_cell_length_c   12.337
_cell_angle_alpha   102.312
_cell_angle_beta   99.433
_cell_angle_gamma   90.023
_symmetry_Int_Tables_number   1
_cell_volume   264.593
_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
  Ga  Ga0  1  0.000  1.000  1.000  1.0
  Ga  Ga1  1  0.894  0.354  0.789  1.0
  Ga  Ga2  1  0.106  0.646  0.211  1.0
  Ga  Ga3  1  0.677  0.311  0.354  1.0
  Ga  Ga4  1  0.323  0.689  0.646  1.0
  Pd  Pd5  1  1.000  0.500  1.000  1.0
  Pd  Pd6  1  0.887  0.876  0.774  1.0
  Pd  Pd7  1  0.113  0.124  0.226  1.0
  Pd  Pd8  1  0.789  0.408  0.576  1.0
  Pd  Pd9  1  0.211  0.592  0.424  1.0
  Pd  Pd10  1  0.775  0.890  0.551  1.0
  Pd  Pd11  1  0.225  0.110  0.450  1.0
  Pd  Pd12  1  0.660  0.830  0.320  1.0
  Pd  Pd13  1  0.340  0.170  0.680  1.0
  Pd  Pd14  1  0.571  0.375  0.142  1.0
  Pd  Pd15  1  0.429  0.625  0.858  1.0
  Pd  Pd16  1  0.544  0.849  0.089  1.0
  Pd  Pd17  1  0.456  0.151  0.911  1.0
[/CIF]
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The compound described by Pd13Ga5 crystallizes in the monoclinic C2/m space group. There are seven inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted square co-planar geometry to two equivalent Ga(1) and two equivalent Ga(2) atoms. In the second Pd site, Pd(2) is bonded in a 4-coordinate geometry to one Pd(4), one Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms. In the third Pd site, Pd(3) is bonded in a 4-coordinate geometry to four equivalent Pd(4), one Ga(2), and three equivalent Ga(3) atoms. In the fourth Pd site, Pd(4) is bonded to one Pd(2), two equivalent Pd(4), three equivalent Pd(5), four equivalent Pd(3), and two equivalent Ga(3) atoms to form a mixture of distorted edge, face, and corner-sharing PdGa2Pd10 cuboctahedra. In the fifth Pd site, Pd(5) is bonded in a 3-coordinate geometry to three equivalent Pd(4), two equivalent Ga(2), and two equivalent Ga(3) atoms. In the sixth Pd site, Pd(6) is bonded in a 3-coordinate geometry to one Ga(3) and two equivalent Ga(2) atoms. In the seventh Pd site, Pd(7) is bonded in a 2-coordinate geometry to two equivalent Ga(1) and two equivalent Ga(2) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted body-centered cubic geometry to two equivalent Pd(1), two equivalent Pd(2), and four equivalent Pd(7) atoms. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to one Pd(1), one Pd(3), two equivalent Pd(2), two equivalent Pd(5), two equivalent Pd(6), and two equivalent Pd(7) atoms. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to one Pd(6), two equivalent Pd(2), two equivalent Pd(4), two equivalent Pd(5), and three equivalent Pd(3) atoms. is represented by the CIF file [CIF]
data_Ga5Pd13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.052
_cell_length_b   5.495
_cell_length_c   12.337
_cell_angle_alpha   102.312
_cell_angle_beta   99.433
_cell_angle_gamma   90.023
_symmetry_Int_Tables_number   1
_cell_volume   264.593
_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
  Ga  Ga0  1  0.000  1.000  1.000  1.0
  Ga  Ga1  1  0.894  0.354  0.789  1.0
  Ga  Ga2  1  0.106  0.646  0.211  1.0
  Ga  Ga3  1  0.677  0.311  0.354  1.0
  Ga  Ga4  1  0.323  0.689  0.646  1.0
  Pd  Pd5  1  1.000  0.500  1.000  1.0
  Pd  Pd6  1  0.887  0.876  0.774  1.0
  Pd  Pd7  1  0.113  0.124  0.226  1.0
  Pd  Pd8  1  0.789  0.408  0.576  1.0
  Pd  Pd9  1  0.211  0.592  0.424  1.0
  Pd  Pd10  1  0.775  0.890  0.551  1.0
  Pd  Pd11  1  0.225  0.110  0.450  1.0
  Pd  Pd12  1  0.660  0.830  0.320  1.0
  Pd  Pd13  1  0.340  0.170  0.680  1.0
  Pd  Pd14  1  0.571  0.375  0.142  1.0
  Pd  Pd15  1  0.429  0.625  0.858  1.0
  Pd  Pd16  1  0.544  0.849  0.089  1.0
  Pd  Pd17  1  0.456  0.151  0.911  1.0
[/CIF]
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