The material structure described by Hf3Pd4P3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 5-coordinate geometry to one Pd(2), two equivalent Pd(4), three equivalent Pd(3), two equivalent P(1), and three equivalent P(3) atoms. In the second Hf site, Hf(2) is bonded in a 11-coordinate geometry to one Pd(3), two equivalent Pd(1), three equivalent Pd(4), two equivalent P(3), and three equivalent P(2) atoms. In the third Hf site, Hf(3) is bonded in a 13-coordinate geometry to one Pd(4), two equivalent Pd(3), three equivalent Pd(1), three equivalent Pd(2), two equivalent P(1), and two equivalent P(2) atoms. There are four inequivalent Pd sites. In the first Pd site, Pd(3) is bonded to one Hf(2), two equivalent Hf(3), three equivalent Hf(1), one Pd(2), two equivalent Pd(1), one P(1), and two equivalent P(3) atoms to form distorted PdHf6P3Pd3 cuboctahedra that share corners with two equivalent Pd(1)Hf5P3Pd4 cuboctahedra, corners with three equivalent Pd(4)Hf6P4Pd2 cuboctahedra, edges with two equivalent Pd(3)Hf6P3Pd3 cuboctahedra, edges with two equivalent Pd(4)Hf6P4Pd2 cuboctahedra, faces with two equivalent Pd(3)Hf6P3Pd3 cuboctahedra, faces with three equivalent Pd(1)Hf5P3Pd4 cuboctahedra, and faces with three equivalent Pd(4)Hf6P4Pd2 cuboctahedra. In the second Pd site, Pd(4) is bonded to one Hf(3), two equivalent Hf(1), three equivalent Hf(2), two equivalent Pd(2), one P(1), one P(3), and two equivalent P(2) atoms to form distorted PdHf6P4Pd2 cuboctahedra that share corners with three equivalent Pd(3)Hf6P3Pd3 cuboctahedra, corners with four equivalent Pd(1)Hf5P3Pd4 cuboctahedra, edges with two equivalent Pd(3)Hf6P3Pd3 cuboctahedra, edges with two equivalent Pd(4)Hf6P4Pd2 cuboctahedra, faces with two equivalent Pd(4)Hf6P4Pd2 cuboctahedra, faces with three equivalent Pd(3)Hf6P3Pd3 cuboctahedra, and faces with four equivalent Pd(1)Hf5P3Pd4 cuboctahedra. In the third Pd site, Pd(1) is bonded to two equivalent Hf(2), three equivalent Hf(3), two equivalent Pd(2), two equivalent Pd(3), one P(1), one P(2), and one P(3) atom to form distorted PdHf5P3Pd4 cuboctahedra that share corners with two equivalent Pd(3)Hf6P3Pd3 cuboctahedra, corners with four equivalent Pd(1)Hf5P3Pd4 cuboctahedra, corners with four equivalent Pd(4)Hf6P4Pd2 cuboctahedra, faces with two equivalent Pd(1)Hf5P3Pd4 cuboctahedra, faces with three equivalent Pd(3)Hf6P3Pd3 cuboctahedra, and faces with four equivalent Pd(4)Hf6P4Pd2 cuboctahedra. In the fourth Pd site, Pd(2) is bonded in a 12-coordinate geometry to one Hf(1), three equivalent Hf(3), one Pd(3), two equivalent Pd(1), two equivalent Pd(4), one P(2), and two equivalent P(1) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Hf(1), two equivalent Hf(3), one Pd(1), one Pd(3), one Pd(4), and two equivalent Pd(2) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Hf(3), three equivalent Hf(2), one Pd(1), one Pd(2), and two equivalent Pd(4) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to two equivalent Hf(2), three equivalent Hf(1), one Pd(1), one Pd(4), and two equivalent Pd(3) atoms. is represented by the CIF card [CIF]
data_Hf3P3Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.777
_cell_length_b   9.998
_cell_length_c   16.387
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   618.799
_cell_formula_units_Z   4
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
  Hf  Hf0  1  0.250  0.912  0.061  1.0
  Hf  Hf1  1  0.750  0.088  0.939  1.0
  Hf  Hf2  1  0.750  0.412  0.439  1.0
  Hf  Hf3  1  0.250  0.588  0.561  1.0
  Hf  Hf4  1  0.250  0.618  0.952  1.0
  Hf  Hf5  1  0.750  0.382  0.048  1.0
  Hf  Hf6  1  0.750  0.118  0.548  1.0
  Hf  Hf7  1  0.250  0.882  0.452  1.0
  Hf  Hf8  1  0.250  0.478  0.761  1.0
  Hf  Hf9  1  0.750  0.522  0.239  1.0
  Hf  Hf10  1  0.750  0.978  0.739  1.0
  Hf  Hf11  1  0.250  0.022  0.261  1.0
  P  P12  1  0.250  0.110  0.823  1.0
  P  P13  1  0.750  0.890  0.177  1.0
  P  P14  1  0.750  0.610  0.677  1.0
  P  P15  1  0.250  0.390  0.323  1.0
  P  P16  1  0.250  0.966  0.614  1.0
  P  P17  1  0.750  0.034  0.386  1.0
  P  P18  1  0.750  0.466  0.886  1.0
  P  P19  1  0.250  0.534  0.114  1.0
  P  P20  1  0.250  0.321  0.543  1.0
  P  P21  1  0.750  0.679  0.457  1.0
  P  P22  1  0.750  0.821  0.957  1.0
  P  P23  1  0.250  0.179  0.043  1.0
  Pd  Pd24  1  0.250  0.311  0.175  1.0
  Pd  Pd25  1  0.750  0.689  0.825  1.0
  Pd  Pd26  1  0.750  0.811  0.325  1.0
  Pd  Pd27  1  0.250  0.189  0.675  1.0
  Pd  Pd28  1  0.250  0.732  0.206  1.0
  Pd  Pd29  1  0.750  0.268  0.794  1.0
  Pd  Pd30  1  0.750  0.232  0.294  1.0
  Pd  Pd31  1  0.250  0.768  0.706  1.0
  Pd  Pd32  1  0.250  0.617  0.372  1.0
  Pd  Pd33  1  0.750  0.383  0.628  1.0
  Pd  Pd34  1  0.750  0.117  0.128  1.0
  Pd  Pd35  1  0.250  0.883  0.872  1.0
  Pd  Pd36  1  0.250  0.182  0.420  1.0
  Pd  Pd37  1  0.750  0.818  0.580  1.0
  Pd  Pd38  1  0.750  0.682  0.080  1.0
  Pd  Pd39  1  0.250  0.318  0.920  1.0
[/CIF]
.
The material structure described by Hf3Pd4P3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 5-coordinate geometry to one Pd(2), two equivalent Pd(4), three equivalent Pd(3), two equivalent P(1), and three equivalent P(3) atoms. In the second Hf site, Hf(2) is bonded in a 11-coordinate geometry to one Pd(3), two equivalent Pd(1), three equivalent Pd(4), two equivalent P(3), and three equivalent P(2) atoms. In the third Hf site, Hf(3) is bonded in a 13-coordinate geometry to one Pd(4), two equivalent Pd(3), three equivalent Pd(1), three equivalent Pd(2), two equivalent P(1), and two equivalent P(2) atoms. There are four inequivalent Pd sites. In the first Pd site, Pd(3) is bonded to one Hf(2), two equivalent Hf(3), three equivalent Hf(1), one Pd(2), two equivalent Pd(1), one P(1), and two equivalent P(3) atoms to form distorted PdHf6P3Pd3 cuboctahedra that share corners with two equivalent Pd(1)Hf5P3Pd4 cuboctahedra, corners with three equivalent Pd(4)Hf6P4Pd2 cuboctahedra, edges with two equivalent Pd(3)Hf6P3Pd3 cuboctahedra, edges with two equivalent Pd(4)Hf6P4Pd2 cuboctahedra, faces with two equivalent Pd(3)Hf6P3Pd3 cuboctahedra, faces with three equivalent Pd(1)Hf5P3Pd4 cuboctahedra, and faces with three equivalent Pd(4)Hf6P4Pd2 cuboctahedra. In the second Pd site, Pd(4) is bonded to one Hf(3), two equivalent Hf(1), three equivalent Hf(2), two equivalent Pd(2), one P(1), one P(3), and two equivalent P(2) atoms to form distorted PdHf6P4Pd2 cuboctahedra that share corners with three equivalent Pd(3)Hf6P3Pd3 cuboctahedra, corners with four equivalent Pd(1)Hf5P3Pd4 cuboctahedra, edges with two equivalent Pd(3)Hf6P3Pd3 cuboctahedra, edges with two equivalent Pd(4)Hf6P4Pd2 cuboctahedra, faces with two equivalent Pd(4)Hf6P4Pd2 cuboctahedra, faces with three equivalent Pd(3)Hf6P3Pd3 cuboctahedra, and faces with four equivalent Pd(1)Hf5P3Pd4 cuboctahedra. In the third Pd site, Pd(1) is bonded to two equivalent Hf(2), three equivalent Hf(3), two equivalent Pd(2), two equivalent Pd(3), one P(1), one P(2), and one P(3) atom to form distorted PdHf5P3Pd4 cuboctahedra that share corners with two equivalent Pd(3)Hf6P3Pd3 cuboctahedra, corners with four equivalent Pd(1)Hf5P3Pd4 cuboctahedra, corners with four equivalent Pd(4)Hf6P4Pd2 cuboctahedra, faces with two equivalent Pd(1)Hf5P3Pd4 cuboctahedra, faces with three equivalent Pd(3)Hf6P3Pd3 cuboctahedra, and faces with four equivalent Pd(4)Hf6P4Pd2 cuboctahedra. In the fourth Pd site, Pd(2) is bonded in a 12-coordinate geometry to one Hf(1), three equivalent Hf(3), one Pd(3), two equivalent Pd(1), two equivalent Pd(4), one P(2), and two equivalent P(1) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Hf(1), two equivalent Hf(3), one Pd(1), one Pd(3), one Pd(4), and two equivalent Pd(2) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Hf(3), three equivalent Hf(2), one Pd(1), one Pd(2), and two equivalent Pd(4) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to two equivalent Hf(2), three equivalent Hf(1), one Pd(1), one Pd(4), and two equivalent Pd(3) atoms. is represented by the CIF card [CIF]
data_Hf3P3Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.777
_cell_length_b   9.998
_cell_length_c   16.387
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   618.799
_cell_formula_units_Z   4
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
  Hf  Hf0  1  0.250  0.912  0.061  1.0
  Hf  Hf1  1  0.750  0.088  0.939  1.0
  Hf  Hf2  1  0.750  0.412  0.439  1.0
  Hf  Hf3  1  0.250  0.588  0.561  1.0
  Hf  Hf4  1  0.250  0.618  0.952  1.0
  Hf  Hf5  1  0.750  0.382  0.048  1.0
  Hf  Hf6  1  0.750  0.118  0.548  1.0
  Hf  Hf7  1  0.250  0.882  0.452  1.0
  Hf  Hf8  1  0.250  0.478  0.761  1.0
  Hf  Hf9  1  0.750  0.522  0.239  1.0
  Hf  Hf10  1  0.750  0.978  0.739  1.0
  Hf  Hf11  1  0.250  0.022  0.261  1.0
  P  P12  1  0.250  0.110  0.823  1.0
  P  P13  1  0.750  0.890  0.177  1.0
  P  P14  1  0.750  0.610  0.677  1.0
  P  P15  1  0.250  0.390  0.323  1.0
  P  P16  1  0.250  0.966  0.614  1.0
  P  P17  1  0.750  0.034  0.386  1.0
  P  P18  1  0.750  0.466  0.886  1.0
  P  P19  1  0.250  0.534  0.114  1.0
  P  P20  1  0.250  0.321  0.543  1.0
  P  P21  1  0.750  0.679  0.457  1.0
  P  P22  1  0.750  0.821  0.957  1.0
  P  P23  1  0.250  0.179  0.043  1.0
  Pd  Pd24  1  0.250  0.311  0.175  1.0
  Pd  Pd25  1  0.750  0.689  0.825  1.0
  Pd  Pd26  1  0.750  0.811  0.325  1.0
  Pd  Pd27  1  0.250  0.189  0.675  1.0
  Pd  Pd28  1  0.250  0.732  0.206  1.0
  Pd  Pd29  1  0.750  0.268  0.794  1.0
  Pd  Pd30  1  0.750  0.232  0.294  1.0
  Pd  Pd31  1  0.250  0.768  0.706  1.0
  Pd  Pd32  1  0.250  0.617  0.372  1.0
  Pd  Pd33  1  0.750  0.383  0.628  1.0
  Pd  Pd34  1  0.750  0.117  0.128  1.0
  Pd  Pd35  1  0.250  0.883  0.872  1.0
  Pd  Pd36  1  0.250  0.182  0.420  1.0
  Pd  Pd37  1  0.750  0.818  0.580  1.0
  Pd  Pd38  1  0.750  0.682  0.080  1.0
  Pd  Pd39  1  0.250  0.318  0.920  1.0
[/CIF]
.