The crystal structure described by CeYPd6 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. Ce(1) is bonded to four equivalent Pd(1) and eight equivalent Pd(3) atoms to form CePd12 cuboctahedra that share corners with four equivalent Ce(1)Pd12 cuboctahedra, corners with eight equivalent Y(1)Pd12 cuboctahedra, faces with two equivalent Y(1)Pd12 cuboctahedra, and faces with four equivalent Ce(1)Pd12 cuboctahedra. Y(1) is bonded to four equivalent Pd(2) and eight equivalent Pd(3) atoms to form YPd12 cuboctahedra that share corners with four equivalent Y(1)Pd12 cuboctahedra, corners with eight equivalent Ce(1)Pd12 cuboctahedra, faces with two equivalent Ce(1)Pd12 cuboctahedra, and faces with four equivalent Y(1)Pd12 cuboctahedra. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted square co-planar geometry to four equivalent Ce(1) atoms. In the second Pd site, Pd(2) is bonded in a distorted square co-planar geometry to four equivalent Y(1) atoms. In the third Pd site, Pd(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ce(1) and two equivalent Y(1) atoms. is represented by the CIF card [CIF]
data_CeYPd6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.116
_cell_length_b   4.116
_cell_length_c   8.219
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   139.218
_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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  Y  Y1  1  0.000  0.000  0.500  1.0
  Pd  Pd2  1  0.500  0.500  0.000  1.0
  Pd  Pd3  1  0.500  0.500  0.500  1.0
  Pd  Pd4  1  0.500  0.000  0.248  1.0
  Pd  Pd5  1  0.500  0.000  0.752  1.0
  Pd  Pd6  1  0.000  0.500  0.248  1.0
  Pd  Pd7  1  0.000  0.500  0.752  1.0
[/CIF]
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The crystal structure described by CeYPd6 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. Ce(1) is bonded to four equivalent Pd(1) and eight equivalent Pd(3) atoms to form CePd12 cuboctahedra that share corners with four equivalent Ce(1)Pd12 cuboctahedra, corners with eight equivalent Y(1)Pd12 cuboctahedra, faces with two equivalent Y(1)Pd12 cuboctahedra, and faces with four equivalent Ce(1)Pd12 cuboctahedra. Y(1) is bonded to four equivalent Pd(2) and eight equivalent Pd(3) atoms to form YPd12 cuboctahedra that share corners with four equivalent Y(1)Pd12 cuboctahedra, corners with eight equivalent Ce(1)Pd12 cuboctahedra, faces with two equivalent Ce(1)Pd12 cuboctahedra, and faces with four equivalent Y(1)Pd12 cuboctahedra. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted square co-planar geometry to four equivalent Ce(1) atoms. In the second Pd site, Pd(2) is bonded in a distorted square co-planar geometry to four equivalent Y(1) atoms. In the third Pd site, Pd(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ce(1) and two equivalent Y(1) atoms. is represented by the CIF card [CIF]
data_CeYPd6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.116
_cell_length_b   4.116
_cell_length_c   8.219
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   139.218
_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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  Y  Y1  1  0.000  0.000  0.500  1.0
  Pd  Pd2  1  0.500  0.500  0.000  1.0
  Pd  Pd3  1  0.500  0.500  0.500  1.0
  Pd  Pd4  1  0.500  0.000  0.248  1.0
  Pd  Pd5  1  0.500  0.000  0.752  1.0
  Pd  Pd6  1  0.000  0.500  0.248  1.0
  Pd  Pd7  1  0.000  0.500  0.752  1.0
[/CIF]
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