The compound described by Pd5GaP crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 11-coordinate geometry to two equivalent Pd(2), five equivalent Pd(1), two equivalent Ga(1), and two equivalent P(1) atoms. In the second Pd site, Pd(2) is bonded to eight equivalent Pd(1) and four equivalent Ga(1) atoms to form distorted PdGa4Pd8 cuboctahedra that share corners with four equivalent Pd(2)Ga4Pd8 cuboctahedra, faces with four equivalent Pd(2)Ga4Pd8 cuboctahedra, and faces with four equivalent Ga(1)Pd12 cuboctahedra. Ga(1) is bonded to four equivalent Pd(2) and eight equivalent Pd(1) atoms to form GaPd12 cuboctahedra that share corners with four equivalent Ga(1)Pd12 cuboctahedra, faces with four equivalent Pd(2)Ga4Pd8 cuboctahedra, and faces with four equivalent Ga(1)Pd12 cuboctahedra. P(1) is bonded in a body-centered cubic geometry to eight equivalent Pd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_GaPPd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.903
_cell_length_b   3.903
_cell_length_c   6.797
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   103.522
_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  0.500  0.500  0.000  1.0
  P  P1  1  0.000  0.000  0.500  1.0
  Pd  Pd2  1  0.000  0.500  0.291  1.0
  Pd  Pd3  1  0.000  0.500  0.709  1.0
  Pd  Pd4  1  0.500  0.000  0.291  1.0
  Pd  Pd5  1  0.500  0.000  0.709  1.0
  Pd  Pd6  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Pd5GaP crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 11-coordinate geometry to two equivalent Pd(2), five equivalent Pd(1), two equivalent Ga(1), and two equivalent P(1) atoms. In the second Pd site, Pd(2) is bonded to eight equivalent Pd(1) and four equivalent Ga(1) atoms to form distorted PdGa4Pd8 cuboctahedra that share corners with four equivalent Pd(2)Ga4Pd8 cuboctahedra, faces with four equivalent Pd(2)Ga4Pd8 cuboctahedra, and faces with four equivalent Ga(1)Pd12 cuboctahedra. Ga(1) is bonded to four equivalent Pd(2) and eight equivalent Pd(1) atoms to form GaPd12 cuboctahedra that share corners with four equivalent Ga(1)Pd12 cuboctahedra, faces with four equivalent Pd(2)Ga4Pd8 cuboctahedra, and faces with four equivalent Ga(1)Pd12 cuboctahedra. P(1) is bonded in a body-centered cubic geometry to eight equivalent Pd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_GaPPd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.903
_cell_length_b   3.903
_cell_length_c   6.797
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   103.522
_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  0.500  0.500  0.000  1.0
  P  P1  1  0.000  0.000  0.500  1.0
  Pd  Pd2  1  0.000  0.500  0.291  1.0
  Pd  Pd3  1  0.000  0.500  0.709  1.0
  Pd  Pd4  1  0.500  0.000  0.291  1.0
  Pd  Pd5  1  0.500  0.000  0.709  1.0
  Pd  Pd6  1  0.000  0.000  0.000  1.0
[/CIF]
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