The material described by UPd3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to six equivalent Pd(1) and six equivalent Pd(2) atoms to form UPd12 cuboctahedra that share corners with six equivalent U(1)Pd12 cuboctahedra, edges with twelve equivalent Pd(2)U4Pd8 cuboctahedra, faces with two equivalent U(1)Pd12 cuboctahedra, faces with six equivalent U(2)Pd12 cuboctahedra, and faces with six equivalent Pd(2)U4Pd8 cuboctahedra. In the second U site, U(2) is bonded to six equivalent Pd(1) and six equivalent Pd(2) atoms to form UPd12 cuboctahedra that share corners with twelve equivalent U(2)Pd12 cuboctahedra, edges with twelve equivalent Pd(2)U4Pd8 cuboctahedra, faces with six equivalent U(1)Pd12 cuboctahedra, and faces with six equivalent Pd(2)U4Pd8 cuboctahedra. There are two inequivalent Pd sites. In the first Pd site, Pd(2) is bonded to two equivalent U(1), two equivalent U(2), four equivalent Pd(1), and four equivalent Pd(2) atoms to form distorted PdU4Pd8 cuboctahedra that share corners with twelve equivalent Pd(2)U4Pd8 cuboctahedra, edges with four equivalent U(1)Pd12 cuboctahedra, edges with four equivalent U(2)Pd12 cuboctahedra, edges with eight equivalent Pd(2)U4Pd8 cuboctahedra, faces with two equivalent U(1)Pd12 cuboctahedra, faces with two equivalent U(2)Pd12 cuboctahedra, and faces with four equivalent Pd(2)U4Pd8 cuboctahedra. In the second Pd site, Pd(1) is bonded in a distorted square co-planar geometry to two equivalent U(1), two equivalent U(2), and four equivalent Pd(2) atoms. is represented by the CIF card [CIF]
data_UPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.843
_cell_length_b   5.843
_cell_length_c   9.579
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   283.239
_cell_formula_units_Z   4
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
  U  U0  1  0.000  0.000  0.000  1.0
  U  U1  1  0.000  0.000  0.500  1.0
  U  U2  1  0.333  0.667  0.250  1.0
  U  U3  1  0.667  0.333  0.750  1.0
  Pd  Pd4  1  0.500  0.000  0.000  1.0
  Pd  Pd5  1  0.500  0.500  0.500  1.0
  Pd  Pd6  1  0.000  0.500  0.500  1.0
  Pd  Pd7  1  0.000  0.500  0.000  1.0
  Pd  Pd8  1  0.500  0.500  0.000  1.0
  Pd  Pd9  1  0.500  0.000  0.500  1.0
  Pd  Pd10  1  0.826  0.652  0.250  1.0
  Pd  Pd11  1  0.174  0.826  0.750  1.0
  Pd  Pd12  1  0.652  0.826  0.750  1.0
  Pd  Pd13  1  0.348  0.174  0.250  1.0
  Pd  Pd14  1  0.826  0.174  0.250  1.0
  Pd  Pd15  1  0.174  0.348  0.750  1.0
[/CIF]
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The material described by UPd3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to six equivalent Pd(1) and six equivalent Pd(2) atoms to form UPd12 cuboctahedra that share corners with six equivalent U(1)Pd12 cuboctahedra, edges with twelve equivalent Pd(2)U4Pd8 cuboctahedra, faces with two equivalent U(1)Pd12 cuboctahedra, faces with six equivalent U(2)Pd12 cuboctahedra, and faces with six equivalent Pd(2)U4Pd8 cuboctahedra. In the second U site, U(2) is bonded to six equivalent Pd(1) and six equivalent Pd(2) atoms to form UPd12 cuboctahedra that share corners with twelve equivalent U(2)Pd12 cuboctahedra, edges with twelve equivalent Pd(2)U4Pd8 cuboctahedra, faces with six equivalent U(1)Pd12 cuboctahedra, and faces with six equivalent Pd(2)U4Pd8 cuboctahedra. There are two inequivalent Pd sites. In the first Pd site, Pd(2) is bonded to two equivalent U(1), two equivalent U(2), four equivalent Pd(1), and four equivalent Pd(2) atoms to form distorted PdU4Pd8 cuboctahedra that share corners with twelve equivalent Pd(2)U4Pd8 cuboctahedra, edges with four equivalent U(1)Pd12 cuboctahedra, edges with four equivalent U(2)Pd12 cuboctahedra, edges with eight equivalent Pd(2)U4Pd8 cuboctahedra, faces with two equivalent U(1)Pd12 cuboctahedra, faces with two equivalent U(2)Pd12 cuboctahedra, and faces with four equivalent Pd(2)U4Pd8 cuboctahedra. In the second Pd site, Pd(1) is bonded in a distorted square co-planar geometry to two equivalent U(1), two equivalent U(2), and four equivalent Pd(2) atoms. is represented by the CIF card [CIF]
data_UPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.843
_cell_length_b   5.843
_cell_length_c   9.579
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   283.239
_cell_formula_units_Z   4
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
  U  U0  1  0.000  0.000  0.000  1.0
  U  U1  1  0.000  0.000  0.500  1.0
  U  U2  1  0.333  0.667  0.250  1.0
  U  U3  1  0.667  0.333  0.750  1.0
  Pd  Pd4  1  0.500  0.000  0.000  1.0
  Pd  Pd5  1  0.500  0.500  0.500  1.0
  Pd  Pd6  1  0.000  0.500  0.500  1.0
  Pd  Pd7  1  0.000  0.500  0.000  1.0
  Pd  Pd8  1  0.500  0.500  0.000  1.0
  Pd  Pd9  1  0.500  0.000  0.500  1.0
  Pd  Pd10  1  0.826  0.652  0.250  1.0
  Pd  Pd11  1  0.174  0.826  0.750  1.0
  Pd  Pd12  1  0.652  0.826  0.750  1.0
  Pd  Pd13  1  0.348  0.174  0.250  1.0
  Pd  Pd14  1  0.826  0.174  0.250  1.0
  Pd  Pd15  1  0.174  0.348  0.750  1.0
[/CIF]
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