The structure described by Hf5Pd9P7 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 13-coordinate geometry to two equivalent Pd(2), two equivalent Pd(5), four equivalent Pd(3), one P(1), and four equivalent P(3) atoms. In the second Hf site, Hf(2) is bonded in a 11-coordinate geometry to two equivalent Pd(4), four equivalent Pd(1), one P(4), and four equivalent P(2) atoms. In the third Hf site, Hf(3) is bonded in a 13-coordinate geometry to one Pd(3), one Pd(5), two equivalent Pd(1), two equivalent Pd(2), two equivalent Pd(4), one P(4), two equivalent P(1), and two equivalent P(2) atoms. There are five inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 8-coordinate geometry to two equivalent Hf(2), two equivalent Hf(3), two equivalent Pd(5), one P(1), one P(2), and two equivalent P(4) atoms. In the second Pd site, Pd(2) is bonded to two equivalent Hf(1), two equivalent Hf(3), two equivalent Pd(3), two equivalent Pd(5), one P(1), one P(2), and two equivalent P(3) atoms to form a mixture of distorted corner and face-sharing PdHf4P4Pd4 cuboctahedra. In the third Pd site, Pd(3) is bonded in a 12-coordinate geometry to one Hf(3), four equivalent Hf(1), one Pd(5), two equivalent Pd(2), two equivalent P(1), and two equivalent P(3) atoms. In the fourth Pd site, Pd(4) is bonded in a 10-coordinate geometry to two equivalent Hf(2), four equivalent Hf(3), two equivalent P(2), and two equivalent P(4) atoms. In the fifth Pd site, Pd(5) is bonded in a 11-coordinate geometry to one Hf(3), two equivalent Hf(1), one Pd(3), two equivalent Pd(1), two equivalent Pd(2), one P(3), and two equivalent P(1) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Hf(1), two equivalent Hf(3), one Pd(1), one Pd(2), two equivalent Pd(3), and two equivalent Pd(5) atoms. In the second P site, P(2) is bonded in a 7-coordinate geometry to two equivalent Hf(2), two equivalent Hf(3), one Pd(1), one Pd(2), and one Pd(4) atom. In the third P site, P(3) is bonded in a 9-coordinate geometry to four equivalent Hf(1), one Pd(5), two equivalent Pd(2), and two equivalent Pd(3) atoms. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to one Hf(2), two equivalent Hf(3), two equivalent Pd(4), and four equivalent Pd(1) atoms. is represented by the CIF file [CIF]
data_Hf5P7Pd9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.646
_cell_length_b   13.646
_cell_length_c   3.768
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   152.366
_symmetry_Int_Tables_number   1
_cell_volume   325.463
_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
  Hf  Hf0  1  0.928  0.469  0.500  1.0
  Hf  Hf1  1  0.469  0.928  0.500  1.0
  Hf  Hf2  1  0.467  0.467  0.000  1.0
  Hf  Hf3  1  0.999  0.175  0.000  1.0
  Hf  Hf4  1  0.175  0.999  0.000  1.0
  P  P5  1  0.749  0.037  0.500  1.0
  P  P6  1  0.037  0.749  0.500  1.0
  P  P7  1  0.304  0.438  0.500  1.0
  P  P8  1  0.438  0.304  0.500  1.0
  P  P9  1  0.196  0.626  0.000  1.0
  P  P10  1  0.626  0.196  0.000  1.0
  P  P11  1  0.864  0.864  0.000  1.0
  Pd  Pd12  1  0.677  0.795  0.500  1.0
  Pd  Pd13  1  0.151  0.463  0.500  1.0
  Pd  Pd14  1  0.225  0.832  0.000  1.0
  Pd  Pd15  1  0.832  0.225  0.000  1.0
  Pd  Pd16  1  0.112  0.112  0.500  1.0
  Pd  Pd17  1  0.792  0.508  0.000  1.0
  Pd  Pd18  1  0.508  0.792  0.000  1.0
  Pd  Pd19  1  0.463  0.151  0.500  1.0
  Pd  Pd20  1  0.795  0.677  0.500  1.0
[/CIF]
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The structure described by Hf5Pd9P7 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 13-coordinate geometry to two equivalent Pd(2), two equivalent Pd(5), four equivalent Pd(3), one P(1), and four equivalent P(3) atoms. In the second Hf site, Hf(2) is bonded in a 11-coordinate geometry to two equivalent Pd(4), four equivalent Pd(1), one P(4), and four equivalent P(2) atoms. In the third Hf site, Hf(3) is bonded in a 13-coordinate geometry to one Pd(3), one Pd(5), two equivalent Pd(1), two equivalent Pd(2), two equivalent Pd(4), one P(4), two equivalent P(1), and two equivalent P(2) atoms. There are five inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 8-coordinate geometry to two equivalent Hf(2), two equivalent Hf(3), two equivalent Pd(5), one P(1), one P(2), and two equivalent P(4) atoms. In the second Pd site, Pd(2) is bonded to two equivalent Hf(1), two equivalent Hf(3), two equivalent Pd(3), two equivalent Pd(5), one P(1), one P(2), and two equivalent P(3) atoms to form a mixture of distorted corner and face-sharing PdHf4P4Pd4 cuboctahedra. In the third Pd site, Pd(3) is bonded in a 12-coordinate geometry to one Hf(3), four equivalent Hf(1), one Pd(5), two equivalent Pd(2), two equivalent P(1), and two equivalent P(3) atoms. In the fourth Pd site, Pd(4) is bonded in a 10-coordinate geometry to two equivalent Hf(2), four equivalent Hf(3), two equivalent P(2), and two equivalent P(4) atoms. In the fifth Pd site, Pd(5) is bonded in a 11-coordinate geometry to one Hf(3), two equivalent Hf(1), one Pd(3), two equivalent Pd(1), two equivalent Pd(2), one P(3), and two equivalent P(1) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Hf(1), two equivalent Hf(3), one Pd(1), one Pd(2), two equivalent Pd(3), and two equivalent Pd(5) atoms. In the second P site, P(2) is bonded in a 7-coordinate geometry to two equivalent Hf(2), two equivalent Hf(3), one Pd(1), one Pd(2), and one Pd(4) atom. In the third P site, P(3) is bonded in a 9-coordinate geometry to four equivalent Hf(1), one Pd(5), two equivalent Pd(2), and two equivalent Pd(3) atoms. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to one Hf(2), two equivalent Hf(3), two equivalent Pd(4), and four equivalent Pd(1) atoms. is represented by the CIF file [CIF]
data_Hf5P7Pd9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.646
_cell_length_b   13.646
_cell_length_c   3.768
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   152.366
_symmetry_Int_Tables_number   1
_cell_volume   325.463
_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
  Hf  Hf0  1  0.928  0.469  0.500  1.0
  Hf  Hf1  1  0.469  0.928  0.500  1.0
  Hf  Hf2  1  0.467  0.467  0.000  1.0
  Hf  Hf3  1  0.999  0.175  0.000  1.0
  Hf  Hf4  1  0.175  0.999  0.000  1.0
  P  P5  1  0.749  0.037  0.500  1.0
  P  P6  1  0.037  0.749  0.500  1.0
  P  P7  1  0.304  0.438  0.500  1.0
  P  P8  1  0.438  0.304  0.500  1.0
  P  P9  1  0.196  0.626  0.000  1.0
  P  P10  1  0.626  0.196  0.000  1.0
  P  P11  1  0.864  0.864  0.000  1.0
  Pd  Pd12  1  0.677  0.795  0.500  1.0
  Pd  Pd13  1  0.151  0.463  0.500  1.0
  Pd  Pd14  1  0.225  0.832  0.000  1.0
  Pd  Pd15  1  0.832  0.225  0.000  1.0
  Pd  Pd16  1  0.112  0.112  0.500  1.0
  Pd  Pd17  1  0.792  0.508  0.000  1.0
  Pd  Pd18  1  0.508  0.792  0.000  1.0
  Pd  Pd19  1  0.463  0.151  0.500  1.0
  Pd  Pd20  1  0.795  0.677  0.500  1.0
[/CIF]
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