The compound described by ZrNb2Pd9 is Uranium Silicide-derived structured and crystallizes in the tetragonal I4/mmm space group. Zr(1) is bonded to four equivalent Pd(3) and eight Pd(1,1) atoms to form ZrPd12 cuboctahedra that share corners with four equivalent Zr(1)Pd12 cuboctahedra; corners with eight equivalent Pd(4)Nb4Pd8 cuboctahedra; edges with eight equivalent Nb(1)Pd12 cuboctahedra; edges with sixteen Pd(1,1)Zr2Nb2Pd8 cuboctahedra; faces with two equivalent Pd(4)Nb4Pd8 cuboctahedra; faces with four equivalent Zr(1)Pd12 cuboctahedra; and faces with eight Pd(1,1)Zr2Nb2Pd8 cuboctahedra. Nb(1) is bonded to four Pd(1,1); four equivalent Pd(2); and four equivalent Pd(4) atoms to form NbPd12 cuboctahedra that share corners with four equivalent Nb(1)Pd12 cuboctahedra; corners with four equivalent Pd(4)Nb4Pd8 cuboctahedra; edges with four equivalent Zr(1)Pd12 cuboctahedra; edges with four equivalent Nb(1)Pd12 cuboctahedra; edges with eight equivalent Pd(2)Nb4Pd8 cuboctahedra; edges with eight Pd(1,1)Zr2Nb2Pd8 cuboctahedra; faces with four equivalent Nb(1)Pd12 cuboctahedra; faces with four equivalent Pd(2)Nb4Pd8 cuboctahedra; faces with four Pd(1,1)Zr2Nb2Pd8 cuboctahedra; and faces with five equivalent Pd(4)Nb4Pd8 cuboctahedra. There are six inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to two equivalent Zr(1), two equivalent Nb(1), two equivalent Pd(3), two equivalent Pd(4), and four equivalent Pd(1) atoms to form distorted PdZr2Nb2Pd8 cuboctahedra that share corners with four equivalent Pd(2)Nb4Pd8 cuboctahedra; corners with eight equivalent Pd(1)Zr2Nb2Pd8 cuboctahedra; edges with four equivalent Zr(1)Pd12 cuboctahedra; edges with four equivalent Nb(1)Pd12 cuboctahedra; edges with four equivalent Pd(2)Nb4Pd8 cuboctahedra; edges with four equivalent Pd(4)Nb4Pd8 cuboctahedra; edges with four equivalent Pd(1)Zr2Nb2Pd8 cuboctahedra;  a faceface with one Pd(2)Nb4Pd8 cuboctahedra; faces with two equivalent Zr(1)Pd12 cuboctahedra; faces with two equivalent Nb(1)Pd12 cuboctahedra; faces with two equivalent Pd(4)Nb4Pd8 cuboctahedra; and faces with nine Pd(1,1)Zr2Nb2Pd8 cuboctahedra. In the second Pd site, Pd(2) is bonded to four equivalent Nb(1), four equivalent Pd(2), and four equivalent Pd(4) atoms to form distorted PdNb4Pd8 cuboctahedra that share corners with four equivalent Pd(2)Nb4Pd8 cuboctahedra; corners with eight equivalent Pd(1)Zr2Nb2Pd8 cuboctahedra; edges with eight equivalent Nb(1)Pd12 cuboctahedra; edges with eight equivalent Pd(4)Nb4Pd8 cuboctahedra; edges with eight Pd(1,1)Zr2Nb2Pd8 cuboctahedra; faces with two equivalent Pd(1)Zr2Nb2Pd8 cuboctahedra; faces with four equivalent Nb(1)Pd12 cuboctahedra; faces with four equivalent Pd(4)Nb4Pd8 cuboctahedra; and faces with eight equivalent Pd(2)Nb4Pd8 cuboctahedra. In the third Pd site, Pd(1) is bonded to two equivalent Zr(1), two equivalent Nb(1), two equivalent Pd(3), two equivalent Pd(4), and four equivalent Pd(1) atoms to form distorted PdZr2Nb2Pd8 cuboctahedra that share corners with four equivalent Pd(2)Nb4Pd8 cuboctahedra; corners with eight equivalent Pd(1)Zr2Nb2Pd8 cuboctahedra; edges with four equivalent Zr(1)Pd12 cuboctahedra; edges with four equivalent Nb(1)Pd12 cuboctahedra; edges with four equivalent Pd(2)Nb4Pd8 cuboctahedra; edges with four equivalent Pd(4)Nb4Pd8 cuboctahedra; edges with four equivalent Pd(1)Zr2Nb2Pd8 cuboctahedra;  a faceface with one Pd(2)Nb4Pd8 cuboctahedra; faces with two equivalent Zr(1)Pd12 cuboctahedra; faces with two equivalent Nb(1)Pd12 cuboctahedra; faces with two equivalent Pd(4)Nb4Pd8 cuboctahedra; and faces with nine Pd(1,1)Zr2Nb2Pd8 cuboctahedra. In the fourth Pd site, Pd(1) is bonded to two equivalent Zr(1), two equivalent Nb(1), two equivalent Pd(3), two equivalent Pd(4), and four equivalent Pd(1) atoms to form distorted PdZr2Nb2Pd8 cuboctahedra that share corners with four equivalent Pd(2)Nb4Pd8 cuboctahedra; corners with eight Pd(1,1)Zr2Nb2Pd8 cuboctahedra; edges with four equivalent Zr(1)Pd12 cuboctahedra; edges with four equivalent Nb(1)Pd12 cuboctahedra; edges with four equivalent Pd(2)Nb4Pd8 cuboctahedra; edges with four equivalent Pd(4)Nb4Pd8 cuboctahedra; edges with four equivalent Pd(1)Zr2Nb2Pd8 cuboctahedra;  a faceface with one Pd(2)Nb4Pd8 cuboctahedra; faces with two equivalent Zr(1)Pd12 cuboctahedra; faces with two equivalent Nb(1)Pd12 cuboctahedra; faces with two equivalent Pd(4)Nb4Pd8 cuboctahedra; and faces with nine Pd(1,1)Zr2Nb2Pd8 cuboctahedra. In the fifth Pd site, Pd(3) is bonded in a distorted square co-planar geometry to four equivalent Zr(1) and eight Pd(1,1) atoms. In the sixth Pd site, Pd(4) is bonded to four equivalent Nb(1); four Pd(1,1); and four equivalent Pd(2) atoms to form distorted PdNb4Pd8 cuboctahedra that share corners with four equivalent Zr(1)Pd12 cuboctahedra; corners with four equivalent Nb(1)Pd12 cuboctahedra; corners with four equivalent Pd(4)Nb4Pd8 cuboctahedra; edges with four equivalent Pd(4)Nb4Pd8 cuboctahedra; edges with eight equivalent Pd(2)Nb4Pd8 cuboctahedra; edges with eight Pd(1,1)Zr2Nb2Pd8 cuboctahedra;  a faceface with one Zr(1)Pd12 cuboctahedra; faces with four equivalent Pd(2)Nb4Pd8 cuboctahedra; faces with four equivalent Pd(4)Nb4Pd8 cuboctahedra; faces with four Pd(1,1)Zr2Nb2Pd8 cuboctahedra; and faces with five equivalent Nb(1)Pd12 cuboctahedra. is represented by the CIF file [CIF]
data_ZrNb2Pd9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.514
_cell_length_b   12.514
_cell_length_c   12.514
_cell_angle_alpha   161.742
_cell_angle_beta   161.742
_cell_angle_gamma   25.932
_symmetry_Int_Tables_number   1
_cell_volume   192.292
_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  0.000  0.000  0.000  1.0
  Nb  Nb1  1  0.667  0.667  0.000  1.0
  Nb  Nb2  1  0.333  0.333  0.000  1.0
  Pd  Pd3  1  0.586  0.086  0.500  1.0
  Pd  Pd4  1  0.250  0.750  0.500  1.0
  Pd  Pd5  1  0.914  0.414  0.500  1.0
  Pd  Pd6  1  0.086  0.586  0.500  1.0
  Pd  Pd7  1  0.750  0.250  0.500  1.0
  Pd  Pd8  1  0.414  0.914  0.500  1.0
  Pd  Pd9  1  0.500  0.500  0.000  1.0
  Pd  Pd10  1  0.168  0.168  0.000  1.0
  Pd  Pd11  1  0.832  0.832  0.000  1.0
[/CIF]
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The compound described by ZrNb2Pd9 is Uranium Silicide-derived structured and crystallizes in the tetragonal I4/mmm space group. Zr(1) is bonded to four equivalent Pd(3) and eight Pd(1,1) atoms to form ZrPd12 cuboctahedra that share corners with four equivalent Zr(1)Pd12 cuboctahedra; corners with eight equivalent Pd(4)Nb4Pd8 cuboctahedra; edges with eight equivalent Nb(1)Pd12 cuboctahedra; edges with sixteen Pd(1,1)Zr2Nb2Pd8 cuboctahedra; faces with two equivalent Pd(4)Nb4Pd8 cuboctahedra; faces with four equivalent Zr(1)Pd12 cuboctahedra; and faces with eight Pd(1,1)Zr2Nb2Pd8 cuboctahedra. Nb(1) is bonded to four Pd(1,1); four equivalent Pd(2); and four equivalent Pd(4) atoms to form NbPd12 cuboctahedra that share corners with four equivalent Nb(1)Pd12 cuboctahedra; corners with four equivalent Pd(4)Nb4Pd8 cuboctahedra; edges with four equivalent Zr(1)Pd12 cuboctahedra; edges with four equivalent Nb(1)Pd12 cuboctahedra; edges with eight equivalent Pd(2)Nb4Pd8 cuboctahedra; edges with eight Pd(1,1)Zr2Nb2Pd8 cuboctahedra; faces with four equivalent Nb(1)Pd12 cuboctahedra; faces with four equivalent Pd(2)Nb4Pd8 cuboctahedra; faces with four Pd(1,1)Zr2Nb2Pd8 cuboctahedra; and faces with five equivalent Pd(4)Nb4Pd8 cuboctahedra. There are six inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to two equivalent Zr(1), two equivalent Nb(1), two equivalent Pd(3), two equivalent Pd(4), and four equivalent Pd(1) atoms to form distorted PdZr2Nb2Pd8 cuboctahedra that share corners with four equivalent Pd(2)Nb4Pd8 cuboctahedra; corners with eight equivalent Pd(1)Zr2Nb2Pd8 cuboctahedra; edges with four equivalent Zr(1)Pd12 cuboctahedra; edges with four equivalent Nb(1)Pd12 cuboctahedra; edges with four equivalent Pd(2)Nb4Pd8 cuboctahedra; edges with four equivalent Pd(4)Nb4Pd8 cuboctahedra; edges with four equivalent Pd(1)Zr2Nb2Pd8 cuboctahedra;  a faceface with one Pd(2)Nb4Pd8 cuboctahedra; faces with two equivalent Zr(1)Pd12 cuboctahedra; faces with two equivalent Nb(1)Pd12 cuboctahedra; faces with two equivalent Pd(4)Nb4Pd8 cuboctahedra; and faces with nine Pd(1,1)Zr2Nb2Pd8 cuboctahedra. In the second Pd site, Pd(2) is bonded to four equivalent Nb(1), four equivalent Pd(2), and four equivalent Pd(4) atoms to form distorted PdNb4Pd8 cuboctahedra that share corners with four equivalent Pd(2)Nb4Pd8 cuboctahedra; corners with eight equivalent Pd(1)Zr2Nb2Pd8 cuboctahedra; edges with eight equivalent Nb(1)Pd12 cuboctahedra; edges with eight equivalent Pd(4)Nb4Pd8 cuboctahedra; edges with eight Pd(1,1)Zr2Nb2Pd8 cuboctahedra; faces with two equivalent Pd(1)Zr2Nb2Pd8 cuboctahedra; faces with four equivalent Nb(1)Pd12 cuboctahedra; faces with four equivalent Pd(4)Nb4Pd8 cuboctahedra; and faces with eight equivalent Pd(2)Nb4Pd8 cuboctahedra. In the third Pd site, Pd(1) is bonded to two equivalent Zr(1), two equivalent Nb(1), two equivalent Pd(3), two equivalent Pd(4), and four equivalent Pd(1) atoms to form distorted PdZr2Nb2Pd8 cuboctahedra that share corners with four equivalent Pd(2)Nb4Pd8 cuboctahedra; corners with eight equivalent Pd(1)Zr2Nb2Pd8 cuboctahedra; edges with four equivalent Zr(1)Pd12 cuboctahedra; edges with four equivalent Nb(1)Pd12 cuboctahedra; edges with four equivalent Pd(2)Nb4Pd8 cuboctahedra; edges with four equivalent Pd(4)Nb4Pd8 cuboctahedra; edges with four equivalent Pd(1)Zr2Nb2Pd8 cuboctahedra;  a faceface with one Pd(2)Nb4Pd8 cuboctahedra; faces with two equivalent Zr(1)Pd12 cuboctahedra; faces with two equivalent Nb(1)Pd12 cuboctahedra; faces with two equivalent Pd(4)Nb4Pd8 cuboctahedra; and faces with nine Pd(1,1)Zr2Nb2Pd8 cuboctahedra. In the fourth Pd site, Pd(1) is bonded to two equivalent Zr(1), two equivalent Nb(1), two equivalent Pd(3), two equivalent Pd(4), and four equivalent Pd(1) atoms to form distorted PdZr2Nb2Pd8 cuboctahedra that share corners with four equivalent Pd(2)Nb4Pd8 cuboctahedra; corners with eight Pd(1,1)Zr2Nb2Pd8 cuboctahedra; edges with four equivalent Zr(1)Pd12 cuboctahedra; edges with four equivalent Nb(1)Pd12 cuboctahedra; edges with four equivalent Pd(2)Nb4Pd8 cuboctahedra; edges with four equivalent Pd(4)Nb4Pd8 cuboctahedra; edges with four equivalent Pd(1)Zr2Nb2Pd8 cuboctahedra;  a faceface with one Pd(2)Nb4Pd8 cuboctahedra; faces with two equivalent Zr(1)Pd12 cuboctahedra; faces with two equivalent Nb(1)Pd12 cuboctahedra; faces with two equivalent Pd(4)Nb4Pd8 cuboctahedra; and faces with nine Pd(1,1)Zr2Nb2Pd8 cuboctahedra. In the fifth Pd site, Pd(3) is bonded in a distorted square co-planar geometry to four equivalent Zr(1) and eight Pd(1,1) atoms. In the sixth Pd site, Pd(4) is bonded to four equivalent Nb(1); four Pd(1,1); and four equivalent Pd(2) atoms to form distorted PdNb4Pd8 cuboctahedra that share corners with four equivalent Zr(1)Pd12 cuboctahedra; corners with four equivalent Nb(1)Pd12 cuboctahedra; corners with four equivalent Pd(4)Nb4Pd8 cuboctahedra; edges with four equivalent Pd(4)Nb4Pd8 cuboctahedra; edges with eight equivalent Pd(2)Nb4Pd8 cuboctahedra; edges with eight Pd(1,1)Zr2Nb2Pd8 cuboctahedra;  a faceface with one Zr(1)Pd12 cuboctahedra; faces with four equivalent Pd(2)Nb4Pd8 cuboctahedra; faces with four equivalent Pd(4)Nb4Pd8 cuboctahedra; faces with four Pd(1,1)Zr2Nb2Pd8 cuboctahedra; and faces with five equivalent Nb(1)Pd12 cuboctahedra. is represented by the CIF file [CIF]
data_ZrNb2Pd9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.514
_cell_length_b   12.514
_cell_length_c   12.514
_cell_angle_alpha   161.742
_cell_angle_beta   161.742
_cell_angle_gamma   25.932
_symmetry_Int_Tables_number   1
_cell_volume   192.292
_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  0.000  0.000  0.000  1.0
  Nb  Nb1  1  0.667  0.667  0.000  1.0
  Nb  Nb2  1  0.333  0.333  0.000  1.0
  Pd  Pd3  1  0.586  0.086  0.500  1.0
  Pd  Pd4  1  0.250  0.750  0.500  1.0
  Pd  Pd5  1  0.914  0.414  0.500  1.0
  Pd  Pd6  1  0.086  0.586  0.500  1.0
  Pd  Pd7  1  0.750  0.250  0.500  1.0
  Pd  Pd8  1  0.414  0.914  0.500  1.0
  Pd  Pd9  1  0.500  0.500  0.000  1.0
  Pd  Pd10  1  0.168  0.168  0.000  1.0
  Pd  Pd11  1  0.832  0.832  0.000  1.0
[/CIF]
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