The crystal structure described by Yb5Pd9P7 crystallizes in the hexagonal P-6 space group. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 15-coordinate geometry to three equivalent Pd(2), six equivalent Pd(1), and six equivalent P(1) atoms. In the second Yb site, Yb(2) is bonded to three equivalent Pd(1), six equivalent Pd(3), and six equivalent P(3) atoms to form distorted face-sharing YbP6Pd9 cuboctahedra. In the third Yb site, Yb(3) is bonded in a 12-coordinate geometry to one Pd(1), two equivalent Pd(3), four equivalent Pd(2), one P(1), two equivalent P(2), and two equivalent P(3) atoms. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 12-coordinate geometry to one Yb(2), one Yb(3), two equivalent Yb(1), two equivalent Pd(2), two equivalent Pd(3), two equivalent P(1), and two equivalent P(3) atoms. In the second Pd site, Pd(2) is bonded in a 12-coordinate geometry to one Yb(1), four equivalent Yb(3), one Pd(3), two equivalent Pd(1), one P(2), one P(3), and two equivalent P(1) atoms. In the third Pd site, Pd(3) is bonded in a 6-coordinate geometry to two equivalent Yb(2), two equivalent Yb(3), one Pd(2), two equivalent Pd(1), two equivalent P(1), and two equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Yb(3), two equivalent Yb(1), two equivalent Pd(1), two equivalent Pd(2), and two equivalent Pd(3) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to six equivalent Yb(3) and three equivalent Pd(2) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to two equivalent Yb(2), two equivalent Yb(3), one Pd(2), two equivalent Pd(1), and two equivalent Pd(3) atoms. is represented by the CIF file [CIF]
data_Yb5P7Pd9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.026
_cell_length_b   10.026
_cell_length_c   4.023
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   350.239
_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
  Yb  Yb0  1  0.667  0.333  0.000  1.0
  Yb  Yb1  1  0.333  0.667  0.500  1.0
  Yb  Yb2  1  0.107  0.229  0.500  1.0
  Yb  Yb3  1  0.771  0.877  0.500  1.0
  Yb  Yb4  1  0.123  0.893  0.500  1.0
  P  P5  1  0.851  0.276  0.500  1.0
  P  P6  1  0.724  0.575  0.500  1.0
  P  P7  1  0.425  0.149  0.500  1.0
  P  P8  1  1.000  1.000  0.000  1.0
  P  P9  1  0.317  0.428  1.000  1.0
  P  P10  1  0.572  0.890  1.000  1.0
  P  P11  1  0.110  0.683  0.000  1.0
  Pd  Pd12  1  0.596  0.055  0.500  1.0
  Pd  Pd13  1  0.945  0.541  0.500  1.0
  Pd  Pd14  1  0.459  0.404  0.500  1.0
  Pd  Pd15  1  0.832  0.128  0.000  1.0
  Pd  Pd16  1  0.872  0.704  0.000  1.0
  Pd  Pd17  1  0.296  0.168  0.000  1.0
  Pd  Pd18  1  0.082  0.437  0.000  1.0
  Pd  Pd19  1  0.563  0.645  0.000  1.0
  Pd  Pd20  1  0.355  0.918  1.000  1.0
[/CIF]
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The crystal structure described by Yb5Pd9P7 crystallizes in the hexagonal P-6 space group. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 15-coordinate geometry to three equivalent Pd(2), six equivalent Pd(1), and six equivalent P(1) atoms. In the second Yb site, Yb(2) is bonded to three equivalent Pd(1), six equivalent Pd(3), and six equivalent P(3) atoms to form distorted face-sharing YbP6Pd9 cuboctahedra. In the third Yb site, Yb(3) is bonded in a 12-coordinate geometry to one Pd(1), two equivalent Pd(3), four equivalent Pd(2), one P(1), two equivalent P(2), and two equivalent P(3) atoms. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 12-coordinate geometry to one Yb(2), one Yb(3), two equivalent Yb(1), two equivalent Pd(2), two equivalent Pd(3), two equivalent P(1), and two equivalent P(3) atoms. In the second Pd site, Pd(2) is bonded in a 12-coordinate geometry to one Yb(1), four equivalent Yb(3), one Pd(3), two equivalent Pd(1), one P(2), one P(3), and two equivalent P(1) atoms. In the third Pd site, Pd(3) is bonded in a 6-coordinate geometry to two equivalent Yb(2), two equivalent Yb(3), one Pd(2), two equivalent Pd(1), two equivalent P(1), and two equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Yb(3), two equivalent Yb(1), two equivalent Pd(1), two equivalent Pd(2), and two equivalent Pd(3) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to six equivalent Yb(3) and three equivalent Pd(2) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to two equivalent Yb(2), two equivalent Yb(3), one Pd(2), two equivalent Pd(1), and two equivalent Pd(3) atoms. is represented by the CIF file [CIF]
data_Yb5P7Pd9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.026
_cell_length_b   10.026
_cell_length_c   4.023
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   350.239
_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
  Yb  Yb0  1  0.667  0.333  0.000  1.0
  Yb  Yb1  1  0.333  0.667  0.500  1.0
  Yb  Yb2  1  0.107  0.229  0.500  1.0
  Yb  Yb3  1  0.771  0.877  0.500  1.0
  Yb  Yb4  1  0.123  0.893  0.500  1.0
  P  P5  1  0.851  0.276  0.500  1.0
  P  P6  1  0.724  0.575  0.500  1.0
  P  P7  1  0.425  0.149  0.500  1.0
  P  P8  1  1.000  1.000  0.000  1.0
  P  P9  1  0.317  0.428  1.000  1.0
  P  P10  1  0.572  0.890  1.000  1.0
  P  P11  1  0.110  0.683  0.000  1.0
  Pd  Pd12  1  0.596  0.055  0.500  1.0
  Pd  Pd13  1  0.945  0.541  0.500  1.0
  Pd  Pd14  1  0.459  0.404  0.500  1.0
  Pd  Pd15  1  0.832  0.128  0.000  1.0
  Pd  Pd16  1  0.872  0.704  0.000  1.0
  Pd  Pd17  1  0.296  0.168  0.000  1.0
  Pd  Pd18  1  0.082  0.437  0.000  1.0
  Pd  Pd19  1  0.563  0.645  0.000  1.0
  Pd  Pd20  1  0.355  0.918  1.000  1.0
[/CIF]
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