The material described by Zr5Pd9P7 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 13-coordinate geometry to two equivalent Pd(1), two equivalent Pd(4), four equivalent Pd(3), one P(1), and four equivalent P(3) atoms. In the second Zr site, Zr(2) is bonded in a 11-coordinate geometry to two equivalent Pd(2), four equivalent Pd(5), one P(2), and four equivalent P(4) atoms. In the third Zr site, Zr(3) is bonded in a 13-coordinate geometry to one Pd(1), one Pd(3), two equivalent Pd(2), two equivalent Pd(4), two equivalent Pd(5), one P(2), two equivalent P(1), and two equivalent P(4) atoms. There are five inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 11-coordinate geometry to one Zr(3), two equivalent Zr(1), one Pd(3), two equivalent Pd(4), two equivalent Pd(5), one P(3), and two equivalent P(1) atoms. In the second Pd site, Pd(2) is bonded to two equivalent Zr(2), four equivalent Zr(3), two equivalent Pd(5), two equivalent P(2), and two equivalent P(4) atoms to form distorted PdZr6P4Pd2 cuboctahedra that share corners with four equivalent Pd(4)Zr4P4Pd4 cuboctahedra, corners with four equivalent Pd(3)Zr5P4Pd3 cuboctahedra, faces with two equivalent Pd(4)Zr4P4Pd4 cuboctahedra, and faces with two equivalent Pd(2)Zr6P4Pd2 cuboctahedra. In the third Pd site, Pd(3) is bonded to one Zr(3), four equivalent Zr(1), one Pd(1), two equivalent Pd(4), two equivalent P(1), and two equivalent P(3) atoms to form distorted PdZr5P4Pd3 cuboctahedra that share corners with two equivalent Pd(2)Zr6P4Pd2 cuboctahedra, corners with four equivalent Pd(3)Zr5P4Pd3 cuboctahedra, edges with two equivalent Pd(4)Zr4P4Pd4 cuboctahedra, faces with four equivalent Pd(4)Zr4P4Pd4 cuboctahedra, and faces with four equivalent Pd(3)Zr5P4Pd3 cuboctahedra. In the fourth Pd site, Pd(4) is bonded to two equivalent Zr(1), two equivalent Zr(3), two equivalent Pd(1), two equivalent Pd(3), one P(1), one P(4), and two equivalent P(3) atoms to form distorted PdZr4P4Pd4 cuboctahedra that share corners with two equivalent Pd(4)Zr4P4Pd4 cuboctahedra, corners with two equivalent Pd(2)Zr6P4Pd2 cuboctahedra, edges with two equivalent Pd(3)Zr5P4Pd3 cuboctahedra,  a faceface with one Pd(2)Zr6P4Pd2 cuboctahedra, faces with two equivalent Pd(4)Zr4P4Pd4 cuboctahedra, and faces with four equivalent Pd(3)Zr5P4Pd3 cuboctahedra. In the fifth Pd site, Pd(5) is bonded in a 8-coordinate geometry to two equivalent Zr(2), two equivalent Zr(3), one Pd(2), two equivalent Pd(1), one P(1), one P(4), and two equivalent P(2) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Zr(1), two equivalent Zr(3), one Pd(4), one Pd(5), two equivalent Pd(1), and two equivalent Pd(3) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Zr(2), two equivalent Zr(3), two equivalent Pd(2), and four equivalent Pd(5) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to four equivalent Zr(1), one Pd(1), two equivalent Pd(3), and two equivalent Pd(4) atoms. In the fourth P site, P(4) is bonded in a 7-coordinate geometry to two equivalent Zr(2), two equivalent Zr(3), one Pd(2), one Pd(4), and one Pd(5) atom. is represented by the CIF card [CIF]
data_Zr5P7Pd9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.636
_cell_length_b   13.636
_cell_length_c   3.832
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   152.335
_symmetry_Int_Tables_number   1
_cell_volume   330.821
_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
  Zr  Zr0  1  0.912  0.454  0.500  1.0
  Zr  Zr1  1  0.454  0.912  0.500  1.0
  Zr  Zr2  1  0.474  0.474  0.000  1.0
  Zr  Zr3  1  0.178  0.001  0.000  1.0
  Zr  Zr4  1  0.001  0.178  0.000  1.0
  P  P5  1  0.741  0.030  0.500  1.0
  P  P6  1  0.872  0.872  0.000  1.0
  P  P7  1  0.611  0.183  0.000  1.0
  P  P8  1  0.183  0.611  0.000  1.0
  P  P9  1  0.443  0.306  0.500  1.0
  P  P10  1  0.030  0.741  0.500  1.0
  P  P11  1  0.306  0.443  0.500  1.0
  Pd  Pd12  1  0.780  0.501  0.000  1.0
  Pd  Pd13  1  0.501  0.780  0.000  1.0
  Pd  Pd14  1  0.118  0.118  0.500  1.0
  Pd  Pd15  1  0.210  0.816  0.000  1.0
  Pd  Pd16  1  0.139  0.455  0.500  1.0
  Pd  Pd17  1  0.455  0.139  0.500  1.0
  Pd  Pd18  1  0.681  0.799  0.500  1.0
  Pd  Pd19  1  0.799  0.681  0.500  1.0
  Pd  Pd20  1  0.816  0.210  0.000  1.0
[/CIF]
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The material described by Zr5Pd9P7 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 13-coordinate geometry to two equivalent Pd(1), two equivalent Pd(4), four equivalent Pd(3), one P(1), and four equivalent P(3) atoms. In the second Zr site, Zr(2) is bonded in a 11-coordinate geometry to two equivalent Pd(2), four equivalent Pd(5), one P(2), and four equivalent P(4) atoms. In the third Zr site, Zr(3) is bonded in a 13-coordinate geometry to one Pd(1), one Pd(3), two equivalent Pd(2), two equivalent Pd(4), two equivalent Pd(5), one P(2), two equivalent P(1), and two equivalent P(4) atoms. There are five inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 11-coordinate geometry to one Zr(3), two equivalent Zr(1), one Pd(3), two equivalent Pd(4), two equivalent Pd(5), one P(3), and two equivalent P(1) atoms. In the second Pd site, Pd(2) is bonded to two equivalent Zr(2), four equivalent Zr(3), two equivalent Pd(5), two equivalent P(2), and two equivalent P(4) atoms to form distorted PdZr6P4Pd2 cuboctahedra that share corners with four equivalent Pd(4)Zr4P4Pd4 cuboctahedra, corners with four equivalent Pd(3)Zr5P4Pd3 cuboctahedra, faces with two equivalent Pd(4)Zr4P4Pd4 cuboctahedra, and faces with two equivalent Pd(2)Zr6P4Pd2 cuboctahedra. In the third Pd site, Pd(3) is bonded to one Zr(3), four equivalent Zr(1), one Pd(1), two equivalent Pd(4), two equivalent P(1), and two equivalent P(3) atoms to form distorted PdZr5P4Pd3 cuboctahedra that share corners with two equivalent Pd(2)Zr6P4Pd2 cuboctahedra, corners with four equivalent Pd(3)Zr5P4Pd3 cuboctahedra, edges with two equivalent Pd(4)Zr4P4Pd4 cuboctahedra, faces with four equivalent Pd(4)Zr4P4Pd4 cuboctahedra, and faces with four equivalent Pd(3)Zr5P4Pd3 cuboctahedra. In the fourth Pd site, Pd(4) is bonded to two equivalent Zr(1), two equivalent Zr(3), two equivalent Pd(1), two equivalent Pd(3), one P(1), one P(4), and two equivalent P(3) atoms to form distorted PdZr4P4Pd4 cuboctahedra that share corners with two equivalent Pd(4)Zr4P4Pd4 cuboctahedra, corners with two equivalent Pd(2)Zr6P4Pd2 cuboctahedra, edges with two equivalent Pd(3)Zr5P4Pd3 cuboctahedra,  a faceface with one Pd(2)Zr6P4Pd2 cuboctahedra, faces with two equivalent Pd(4)Zr4P4Pd4 cuboctahedra, and faces with four equivalent Pd(3)Zr5P4Pd3 cuboctahedra. In the fifth Pd site, Pd(5) is bonded in a 8-coordinate geometry to two equivalent Zr(2), two equivalent Zr(3), one Pd(2), two equivalent Pd(1), one P(1), one P(4), and two equivalent P(2) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Zr(1), two equivalent Zr(3), one Pd(4), one Pd(5), two equivalent Pd(1), and two equivalent Pd(3) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Zr(2), two equivalent Zr(3), two equivalent Pd(2), and four equivalent Pd(5) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to four equivalent Zr(1), one Pd(1), two equivalent Pd(3), and two equivalent Pd(4) atoms. In the fourth P site, P(4) is bonded in a 7-coordinate geometry to two equivalent Zr(2), two equivalent Zr(3), one Pd(2), one Pd(4), and one Pd(5) atom. is represented by the CIF card [CIF]
data_Zr5P7Pd9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.636
_cell_length_b   13.636
_cell_length_c   3.832
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   152.335
_symmetry_Int_Tables_number   1
_cell_volume   330.821
_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
  Zr  Zr0  1  0.912  0.454  0.500  1.0
  Zr  Zr1  1  0.454  0.912  0.500  1.0
  Zr  Zr2  1  0.474  0.474  0.000  1.0
  Zr  Zr3  1  0.178  0.001  0.000  1.0
  Zr  Zr4  1  0.001  0.178  0.000  1.0
  P  P5  1  0.741  0.030  0.500  1.0
  P  P6  1  0.872  0.872  0.000  1.0
  P  P7  1  0.611  0.183  0.000  1.0
  P  P8  1  0.183  0.611  0.000  1.0
  P  P9  1  0.443  0.306  0.500  1.0
  P  P10  1  0.030  0.741  0.500  1.0
  P  P11  1  0.306  0.443  0.500  1.0
  Pd  Pd12  1  0.780  0.501  0.000  1.0
  Pd  Pd13  1  0.501  0.780  0.000  1.0
  Pd  Pd14  1  0.118  0.118  0.500  1.0
  Pd  Pd15  1  0.210  0.816  0.000  1.0
  Pd  Pd16  1  0.139  0.455  0.500  1.0
  Pd  Pd17  1  0.455  0.139  0.500  1.0
  Pd  Pd18  1  0.681  0.799  0.500  1.0
  Pd  Pd19  1  0.799  0.681  0.500  1.0
  Pd  Pd20  1  0.816  0.210  0.000  1.0
[/CIF]
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