The material structure described by Pd15Bi4P crystallizes in the trigonal R-3m space group. There are eight inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 7-coordinate geometry to one Pd(7), three equivalent Pd(4), three equivalent Pd(6), three equivalent Bi(1), and one P(1) atom. In the second Pd site, Pd(2) is bonded in a 8-coordinate geometry to one Pd(8), three equivalent Pd(7), one Bi(1), and three equivalent Bi(2) atoms. In the third Pd site, Pd(3) is bonded in a 8-coordinate geometry to one Pd(7), three equivalent Pd(8), and four equivalent Bi(2) atoms. In the fourth Pd site, Pd(4) is bonded in a 14-coordinate geometry to three equivalent Pd(1), three equivalent Pd(4), four equivalent Pd(6), one Bi(1), and three equivalent P(1) atoms. In the fifth Pd site, Pd(5) is bonded in a distorted body-centered cubic geometry to one Pd(6), three equivalent Pd(7), one Bi(2), and three equivalent Bi(1) atoms. In the sixth Pd site, Pd(6) is bonded in a 11-coordinate geometry to one Pd(5), three equivalent Pd(1), four equivalent Pd(4), and three equivalent Bi(1) atoms. In the seventh Pd site, Pd(7) is bonded in a 14-coordinate geometry to one Pd(1), one Pd(3), three equivalent Pd(2), three equivalent Pd(5), three equivalent Bi(1), and three equivalent Bi(2) atoms. In the eighth Pd site, Pd(8) is bonded in a 14-coordinate geometry to two equivalent Pd(2), six equivalent Pd(3), and six equivalent Bi(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 14-coordinate geometry to one Pd(2), one Pd(4), three equivalent Pd(1), three equivalent Pd(5), three equivalent Pd(6), and three equivalent Pd(7) atoms. In the second Bi site, Bi(2) is bonded in a distorted body-centered cubic geometry to one Pd(5), three equivalent Pd(2), three equivalent Pd(7), three equivalent Pd(8), and four equivalent Pd(3) atoms. P(1) is bonded in a body-centered cubic geometry to two equivalent Pd(1) and six equivalent Pd(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi4PPd15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.112
_cell_length_b   19.112
_cell_length_c   19.112
_cell_angle_alpha   13.822
_cell_angle_beta   13.822
_cell_angle_gamma   13.822
_symmetry_Int_Tables_number   1
_cell_volume   346.741
_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
  Bi  Bi0  1  0.602  0.602  0.602  1.0
  Bi  Bi1  1  0.200  0.200  0.200  1.0
  Bi  Bi2  1  0.800  0.800  0.800  1.0
  Bi  Bi3  1  0.398  0.398  0.398  1.0
  P  P4  1  0.000  0.000  0.000  1.0
  Pd  Pd5  1  0.042  0.042  0.042  1.0
  Pd  Pd6  1  0.449  0.449  0.449  1.0
  Pd  Pd7  1  0.851  0.851  0.851  1.0
  Pd  Pd8  1  0.654  0.654  0.654  1.0
  Pd  Pd9  1  0.250  0.250  0.250  1.0
  Pd  Pd10  1  0.346  0.346  0.346  1.0
  Pd  Pd11  1  0.750  0.750  0.750  1.0
  Pd  Pd12  1  0.149  0.149  0.149  1.0
  Pd  Pd13  1  0.958  0.958  0.958  1.0
  Pd  Pd14  1  0.551  0.551  0.551  1.0
  Pd  Pd15  1  0.701  0.701  0.701  1.0
  Pd  Pd16  1  0.098  0.098  0.098  1.0
  Pd  Pd17  1  0.500  0.500  0.500  1.0
  Pd  Pd18  1  0.299  0.299  0.299  1.0
  Pd  Pd19  1  0.902  0.902  0.902  1.0
[/CIF]
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The material structure described by Pd15Bi4P crystallizes in the trigonal R-3m space group. There are eight inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 7-coordinate geometry to one Pd(7), three equivalent Pd(4), three equivalent Pd(6), three equivalent Bi(1), and one P(1) atom. In the second Pd site, Pd(2) is bonded in a 8-coordinate geometry to one Pd(8), three equivalent Pd(7), one Bi(1), and three equivalent Bi(2) atoms. In the third Pd site, Pd(3) is bonded in a 8-coordinate geometry to one Pd(7), three equivalent Pd(8), and four equivalent Bi(2) atoms. In the fourth Pd site, Pd(4) is bonded in a 14-coordinate geometry to three equivalent Pd(1), three equivalent Pd(4), four equivalent Pd(6), one Bi(1), and three equivalent P(1) atoms. In the fifth Pd site, Pd(5) is bonded in a distorted body-centered cubic geometry to one Pd(6), three equivalent Pd(7), one Bi(2), and three equivalent Bi(1) atoms. In the sixth Pd site, Pd(6) is bonded in a 11-coordinate geometry to one Pd(5), three equivalent Pd(1), four equivalent Pd(4), and three equivalent Bi(1) atoms. In the seventh Pd site, Pd(7) is bonded in a 14-coordinate geometry to one Pd(1), one Pd(3), three equivalent Pd(2), three equivalent Pd(5), three equivalent Bi(1), and three equivalent Bi(2) atoms. In the eighth Pd site, Pd(8) is bonded in a 14-coordinate geometry to two equivalent Pd(2), six equivalent Pd(3), and six equivalent Bi(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 14-coordinate geometry to one Pd(2), one Pd(4), three equivalent Pd(1), three equivalent Pd(5), three equivalent Pd(6), and three equivalent Pd(7) atoms. In the second Bi site, Bi(2) is bonded in a distorted body-centered cubic geometry to one Pd(5), three equivalent Pd(2), three equivalent Pd(7), three equivalent Pd(8), and four equivalent Pd(3) atoms. P(1) is bonded in a body-centered cubic geometry to two equivalent Pd(1) and six equivalent Pd(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi4PPd15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.112
_cell_length_b   19.112
_cell_length_c   19.112
_cell_angle_alpha   13.822
_cell_angle_beta   13.822
_cell_angle_gamma   13.822
_symmetry_Int_Tables_number   1
_cell_volume   346.741
_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
  Bi  Bi0  1  0.602  0.602  0.602  1.0
  Bi  Bi1  1  0.200  0.200  0.200  1.0
  Bi  Bi2  1  0.800  0.800  0.800  1.0
  Bi  Bi3  1  0.398  0.398  0.398  1.0
  P  P4  1  0.000  0.000  0.000  1.0
  Pd  Pd5  1  0.042  0.042  0.042  1.0
  Pd  Pd6  1  0.449  0.449  0.449  1.0
  Pd  Pd7  1  0.851  0.851  0.851  1.0
  Pd  Pd8  1  0.654  0.654  0.654  1.0
  Pd  Pd9  1  0.250  0.250  0.250  1.0
  Pd  Pd10  1  0.346  0.346  0.346  1.0
  Pd  Pd11  1  0.750  0.750  0.750  1.0
  Pd  Pd12  1  0.149  0.149  0.149  1.0
  Pd  Pd13  1  0.958  0.958  0.958  1.0
  Pd  Pd14  1  0.551  0.551  0.551  1.0
  Pd  Pd15  1  0.701  0.701  0.701  1.0
  Pd  Pd16  1  0.098  0.098  0.098  1.0
  Pd  Pd17  1  0.500  0.500  0.500  1.0
  Pd  Pd18  1  0.299  0.299  0.299  1.0
  Pd  Pd19  1  0.902  0.902  0.902  1.0
[/CIF]
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