The compound described by PdZn2 crystallizes in the orthorhombic Cmm2 space group. There are five inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 10-coordinate geometry to one Zn(4), one Zn(8), two equivalent Zn(2), two equivalent Zn(9), and four equivalent Zn(7) atoms. In the second Pd site, Pd(2) is bonded in a 11-coordinate geometry to one Zn(10), one Zn(5), one Zn(8), two equivalent Zn(3), two equivalent Zn(9), and four equivalent Zn(6) atoms. In the third Pd site, Pd(3) is bonded in a distorted body-centered cubic geometry to two equivalent Zn(6), two equivalent Zn(7), and four equivalent Zn(9) atoms. In the fourth Pd site, Pd(4) is bonded in a 8-coordinate geometry to two equivalent Zn(1), two equivalent Zn(7), and four equivalent Zn(2) atoms. In the fifth Pd site, Pd(5) is bonded in a 11-coordinate geometry to one Zn(10), one Zn(4), one Zn(5), two equivalent Zn(2), two equivalent Zn(3), and four equivalent Zn(1) atoms. There are ten inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one Pd(4), four equivalent Pd(5), one Zn(10), two equivalent Zn(2), and two equivalent Zn(3) atoms. In the second Zn site, Zn(2) is bonded to two equivalent Pd(1), two equivalent Pd(4), two equivalent Pd(5), two equivalent Zn(1), two equivalent Zn(4), and two equivalent Zn(7) atoms to form distorted ZnZn6Pd6 cuboctahedra that share corners with four equivalent Zn(2)Zn6Pd6 cuboctahedra, corners with four equivalent Zn(3)Zn8Pd4 cuboctahedra, edges with two equivalent Zn(10)Zn8Pd4 cuboctahedra,  a faceface with one Zn(3)Zn8Pd4 cuboctahedra, and faces with four equivalent Zn(2)Zn6Pd6 cuboctahedra. In the third Zn site, Zn(3) is bonded to two equivalent Pd(2), two equivalent Pd(5), two equivalent Zn(1), two equivalent Zn(10), two equivalent Zn(5), and two equivalent Zn(6) atoms to form distorted ZnZn8Pd4 cuboctahedra that share corners with four equivalent Zn(2)Zn6Pd6 cuboctahedra, corners with four equivalent Zn(3)Zn8Pd4 cuboctahedra,  a faceface with one Zn(2)Zn6Pd6 cuboctahedra, faces with two equivalent Zn(10)Zn8Pd4 cuboctahedra, and faces with four equivalent Zn(3)Zn8Pd4 cuboctahedra. In the fourth Zn site, Zn(4) is bonded in a 4-coordinate geometry to two equivalent Pd(1), two equivalent Pd(5), and four equivalent Zn(2) atoms. In the fifth Zn site, Zn(5) is bonded in a 4-coordinate geometry to two equivalent Pd(2), two equivalent Pd(5), and four equivalent Zn(3) atoms. In the sixth Zn site, Zn(6) is bonded in a 5-coordinate geometry to one Pd(3), four equivalent Pd(2), one Zn(10), two equivalent Zn(3), and two equivalent Zn(9) atoms. In the seventh Zn site, Zn(7) is bonded in a 6-coordinate geometry to one Pd(3), one Pd(4), four equivalent Pd(1), two equivalent Zn(2), and two equivalent Zn(9) atoms. In the eighth Zn site, Zn(8) is bonded in a 4-coordinate geometry to two equivalent Pd(1), two equivalent Pd(2), and four equivalent Zn(9) atoms. In the ninth Zn site, Zn(9) is bonded in a 12-coordinate geometry to two equivalent Pd(1), two equivalent Pd(2), two equivalent Pd(3), two equivalent Zn(6), two equivalent Zn(7), and two equivalent Zn(8) atoms. In the tenth Zn site, Zn(10) is bonded to two equivalent Pd(2), two equivalent Pd(5), two equivalent Zn(1), two equivalent Zn(6), and four equivalent Zn(3) atoms to form ZnZn8Pd4 cuboctahedra that share corners with four equivalent Zn(10)Zn8Pd4 cuboctahedra, edges with four equivalent Zn(2)Zn6Pd6 cuboctahedra, and faces with four equivalent Zn(3)Zn8Pd4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.246
_cell_length_b   5.246
_cell_length_c   12.247
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.137
_symmetry_Int_Tables_number   1
_cell_volume   336.992
_cell_formula_units_Z   8
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
  Zn  Zn0  1  0.277  0.723  0.006  1.0
  Zn  Zn1  1  0.723  0.277  0.006  1.0
  Zn  Zn2  1  0.000  0.500  0.167  1.0
  Zn  Zn3  1  0.500  0.000  0.833  1.0
  Zn  Zn4  1  0.000  0.500  0.833  1.0
  Zn  Zn5  1  0.500  0.000  0.167  1.0
  Zn  Zn6  1  0.000  0.000  0.166  1.0
  Zn  Zn7  1  0.000  0.000  0.829  1.0
  Zn  Zn8  1  0.723  0.723  0.667  1.0
  Zn  Zn9  1  0.277  0.277  0.667  1.0
  Zn  Zn10  1  0.282  0.282  0.330  1.0
  Zn  Zn11  1  0.718  0.718  0.330  1.0
  Zn  Zn12  1  0.000  0.000  0.502  1.0
  Zn  Zn13  1  0.000  0.500  0.500  1.0
  Zn  Zn14  1  0.500  0.000  0.500  1.0
  Zn  Zn15  1  0.500  0.500  0.836  1.0
  Pd  Pd16  1  0.213  0.787  0.338  1.0
  Pd  Pd17  1  0.787  0.213  0.338  1.0
  Pd  Pd18  1  0.224  0.776  0.666  1.0
  Pd  Pd19  1  0.776  0.224  0.666  1.0
  Pd  Pd20  1  0.500  0.500  0.498  1.0
  Pd  Pd21  1  0.500  0.500  0.168  1.0
  Pd  Pd22  1  0.780  0.780  0.993  1.0
  Pd  Pd23  1  0.220  0.220  0.993  1.0
[/CIF]
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The compound described by PdZn2 crystallizes in the orthorhombic Cmm2 space group. There are five inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 10-coordinate geometry to one Zn(4), one Zn(8), two equivalent Zn(2), two equivalent Zn(9), and four equivalent Zn(7) atoms. In the second Pd site, Pd(2) is bonded in a 11-coordinate geometry to one Zn(10), one Zn(5), one Zn(8), two equivalent Zn(3), two equivalent Zn(9), and four equivalent Zn(6) atoms. In the third Pd site, Pd(3) is bonded in a distorted body-centered cubic geometry to two equivalent Zn(6), two equivalent Zn(7), and four equivalent Zn(9) atoms. In the fourth Pd site, Pd(4) is bonded in a 8-coordinate geometry to two equivalent Zn(1), two equivalent Zn(7), and four equivalent Zn(2) atoms. In the fifth Pd site, Pd(5) is bonded in a 11-coordinate geometry to one Zn(10), one Zn(4), one Zn(5), two equivalent Zn(2), two equivalent Zn(3), and four equivalent Zn(1) atoms. There are ten inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one Pd(4), four equivalent Pd(5), one Zn(10), two equivalent Zn(2), and two equivalent Zn(3) atoms. In the second Zn site, Zn(2) is bonded to two equivalent Pd(1), two equivalent Pd(4), two equivalent Pd(5), two equivalent Zn(1), two equivalent Zn(4), and two equivalent Zn(7) atoms to form distorted ZnZn6Pd6 cuboctahedra that share corners with four equivalent Zn(2)Zn6Pd6 cuboctahedra, corners with four equivalent Zn(3)Zn8Pd4 cuboctahedra, edges with two equivalent Zn(10)Zn8Pd4 cuboctahedra,  a faceface with one Zn(3)Zn8Pd4 cuboctahedra, and faces with four equivalent Zn(2)Zn6Pd6 cuboctahedra. In the third Zn site, Zn(3) is bonded to two equivalent Pd(2), two equivalent Pd(5), two equivalent Zn(1), two equivalent Zn(10), two equivalent Zn(5), and two equivalent Zn(6) atoms to form distorted ZnZn8Pd4 cuboctahedra that share corners with four equivalent Zn(2)Zn6Pd6 cuboctahedra, corners with four equivalent Zn(3)Zn8Pd4 cuboctahedra,  a faceface with one Zn(2)Zn6Pd6 cuboctahedra, faces with two equivalent Zn(10)Zn8Pd4 cuboctahedra, and faces with four equivalent Zn(3)Zn8Pd4 cuboctahedra. In the fourth Zn site, Zn(4) is bonded in a 4-coordinate geometry to two equivalent Pd(1), two equivalent Pd(5), and four equivalent Zn(2) atoms. In the fifth Zn site, Zn(5) is bonded in a 4-coordinate geometry to two equivalent Pd(2), two equivalent Pd(5), and four equivalent Zn(3) atoms. In the sixth Zn site, Zn(6) is bonded in a 5-coordinate geometry to one Pd(3), four equivalent Pd(2), one Zn(10), two equivalent Zn(3), and two equivalent Zn(9) atoms. In the seventh Zn site, Zn(7) is bonded in a 6-coordinate geometry to one Pd(3), one Pd(4), four equivalent Pd(1), two equivalent Zn(2), and two equivalent Zn(9) atoms. In the eighth Zn site, Zn(8) is bonded in a 4-coordinate geometry to two equivalent Pd(1), two equivalent Pd(2), and four equivalent Zn(9) atoms. In the ninth Zn site, Zn(9) is bonded in a 12-coordinate geometry to two equivalent Pd(1), two equivalent Pd(2), two equivalent Pd(3), two equivalent Zn(6), two equivalent Zn(7), and two equivalent Zn(8) atoms. In the tenth Zn site, Zn(10) is bonded to two equivalent Pd(2), two equivalent Pd(5), two equivalent Zn(1), two equivalent Zn(6), and four equivalent Zn(3) atoms to form ZnZn8Pd4 cuboctahedra that share corners with four equivalent Zn(10)Zn8Pd4 cuboctahedra, edges with four equivalent Zn(2)Zn6Pd6 cuboctahedra, and faces with four equivalent Zn(3)Zn8Pd4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.246
_cell_length_b   5.246
_cell_length_c   12.247
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.137
_symmetry_Int_Tables_number   1
_cell_volume   336.992
_cell_formula_units_Z   8
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
  Zn  Zn0  1  0.277  0.723  0.006  1.0
  Zn  Zn1  1  0.723  0.277  0.006  1.0
  Zn  Zn2  1  0.000  0.500  0.167  1.0
  Zn  Zn3  1  0.500  0.000  0.833  1.0
  Zn  Zn4  1  0.000  0.500  0.833  1.0
  Zn  Zn5  1  0.500  0.000  0.167  1.0
  Zn  Zn6  1  0.000  0.000  0.166  1.0
  Zn  Zn7  1  0.000  0.000  0.829  1.0
  Zn  Zn8  1  0.723  0.723  0.667  1.0
  Zn  Zn9  1  0.277  0.277  0.667  1.0
  Zn  Zn10  1  0.282  0.282  0.330  1.0
  Zn  Zn11  1  0.718  0.718  0.330  1.0
  Zn  Zn12  1  0.000  0.000  0.502  1.0
  Zn  Zn13  1  0.000  0.500  0.500  1.0
  Zn  Zn14  1  0.500  0.000  0.500  1.0
  Zn  Zn15  1  0.500  0.500  0.836  1.0
  Pd  Pd16  1  0.213  0.787  0.338  1.0
  Pd  Pd17  1  0.787  0.213  0.338  1.0
  Pd  Pd18  1  0.224  0.776  0.666  1.0
  Pd  Pd19  1  0.776  0.224  0.666  1.0
  Pd  Pd20  1  0.500  0.500  0.498  1.0
  Pd  Pd21  1  0.500  0.500  0.168  1.0
  Pd  Pd22  1  0.780  0.780  0.993  1.0
  Pd  Pd23  1  0.220  0.220  0.993  1.0
[/CIF]
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